zeta valence quality: Topics by Science.gov

Sample records for zeta valence quality

High quality Gaussian basis sets for fourth-row atoms

NASA Technical Reports Server (NTRS)

Partridge, Harry; Faegri, Knut, Jr.

1992-01-01

Energy optimized Gaussian basis sets of triple-zeta quality for the atoms Rb-Xe have been derived. Two series of basis sets are developed: (24s 16p 10d) and (26s 16p 10d) sets which were expanded to 13d and 19p functions as the 4d and 5p shells become occupied. For the atoms lighter than Cd, the (24s 16p 10d) sets with triple-zeta valence distributions are higher in energy than the corresponding double-zeta distribution. To ensure a triple-zeta distribution and a global energy minimum, the (26s 16p 10d) sets were derived. Total atomic energies from the largest basis sets are between 198 and 284 (mu)E(sub H) above the numerical Hartree-Fock energies.
Segmented all-electron Gaussian basis sets of double and triple zeta qualities for Fr, Ra, and Ac

NASA Astrophysics Data System (ADS)

Campos, C. T.; de Oliveira, A. Z.; Ferreira, I. B.; Jorge, F. E.; Martins, L. S. C.

2017-05-01

Segmented all-electron basis sets of valence double and triple zeta qualities plus polarization functions for the elements Fr, Ra, and Ac are generated using non-relativistic and Douglas-Kroll-Hess (DKH) Hamiltonians. The sets are augmented with diffuse functions with the purpose to describe appropriately the electrons far from the nuclei. At the DKH-B3LYP level, first atomic ionization energies and bond lengths, dissociation energies, and polarizabilities of a sample of diatomics are calculated. Comparison with theoretical and experimental data available in the literature is carried out. It is verified that despite the small sizes of the basis sets, they are yet reliable.
Coupled-cluster based basis sets for valence correlation calculations

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

Claudino, Daniel; Bartlett, Rodney J., E-mail: bartlett@qtp.ufl.edu; Gargano, Ricardo

Novel basis sets are generated that target the description of valence correlation in atoms H through Ar. The new contraction coefficients are obtained according to the Atomic Natural Orbital (ANO) procedure from CCSD(T) (coupled-cluster singles and doubles with perturbative triples correction) density matrices starting from the primitive functions of Dunning et al. [J. Chem. Phys. 90, 1007 (1989); ibid. 98, 1358 (1993); ibid. 100, 2975 (1993)] (correlation consistent polarized valence X-tuple zeta, cc-pVXZ). The exponents of the primitive Gaussian functions are subject to uniform scaling in order to ensure satisfaction of the virial theorem for the corresponding atoms. These newmore » sets, named ANO-VT-XZ (Atomic Natural Orbital Virial Theorem X-tuple Zeta), have the same number of contracted functions as their cc-pVXZ counterparts in each subshell. The performance of these basis sets is assessed by the evaluation of the contraction errors in four distinct computations: correlation energies in atoms, probing the density in different regions of space via 〈r{sup n}〉 (−3 ≤ n ≤ 3) in atoms, correlation energies in diatomic molecules, and the quality of fitting potential energy curves as measured by spectroscopic constants. All energy calculations with ANO-VT-QZ have contraction errors within “chemical accuracy” of 1 kcal/mol, which is not true for cc-pVQZ, suggesting some improvement compared to the correlation consistent series of Dunning and co-workers.« less
Gaussian basis sets for use in correlated molecular calculations. XI. Pseudopotential-based and all-electron relativistic basis sets for alkali metal (K-Fr) and alkaline earth (Ca-Ra) elements

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.
Zeta potential of microfluidic substrates: 1. Theory, experimental techniques, and effects on separations.

PubMed

Kirby, Brian J; Hasselbrink, Ernest F

2004-01-01

This paper summarizes theory, experimental techniques, and the reported data pertaining to the zeta potential of silica and silicon with attention to use as microfluidic substrate materials, particularly for microchip chemical separations. Dependence on cation concentration, buffer and cation type, pH, cation valency, and temperature are discussed. The Debye-Hückel limit, which is often correctly treated as a good approximation for describing the ion concentration in the double layer, can lead to serious errors if it is extended to predict the dependence of zeta potential on the counterion concentration. For indifferent univalent electrolytes (e.g., sodium and potassium), two simple scalings for the dependence of zeta potential on counterion concentration can be derived in high- and low-zeta limits of the nonlinear Poisson-Boltzman equation solution in the double layer. It is shown that for most situations relevant to microchip separations, the high-zeta limit is most applicable, leading to the conclusion that the zeta potential on silica substrates is approximately proportional to the logarithm of the molar counterion concentration. The zeta vs. pH dependence measurements from several experiments are compared by normalizing the zeta based on concentration.
Highly correlated configuration interaction calculations on water with large orbital bases

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

Almora-Díaz, César X., E-mail: xalmora@fisica.unam.mx

2014-05-14

A priori selected configuration interaction (SCI) with truncation energy error [C. F. Bunge, J. Chem. Phys. 125, 014107 (2006)] and CI by parts [C. F. Bunge and R. Carbó-Dorca, J. Chem. Phys. 125, 014108 (2006)] are used to approximate the total nonrelativistic electronic ground state energy of water at fixed experimental geometry with CI up to sextuple excitations. Correlation-consistent polarized core-valence basis sets (cc-pCVnZ) up to sextuple zeta and augmented correlation-consistent polarized core-valence basis sets (aug-cc-pCVnZ) up to quintuple zeta quality are employed. Truncation energy errors range between less than 1 μhartree, and 100 μhartree for the largest orbital set. Coupledmore » cluster CCSD and CCSD(T) calculations are also obtained for comparison. Our best upper bound, −76.4343 hartree, obtained by SCI with up to sextuple excitations with a cc-pCV6Z basis recovers more than 98.8% of the correlation energy of the system, and it is only about 3 kcal/mol above the “experimental” value. Despite that the present energy upper bounds are far below all previous ones, comparatively large dispersion errors in the determination of the extrapolated energies to the complete basis set do not allow to determine a reliable estimation of the full CI energy with an accuracy better than 0.6 mhartree (0.4 kcal/mol)« less
On the performance of large Gaussian basis sets for the computation of total atomization energies

NASA Technical Reports Server (NTRS)

Martin, J. M. L.

1992-01-01

The total atomization energies of a number of molecules have been computed using an augmented coupled-cluster method and (5s4p3d2f1g) and 4s3p2d1f) atomic natural orbital (ANO) basis sets, as well as the correlation consistent valence triple zeta plus polarization (cc-pVTZ) correlation consistent valence quadrupole zeta plus polarization (cc-pVQZ) basis sets. The performance of ANO and correlation consistent basis sets is comparable throughout, although the latter can result in significant CPU time savings. Whereas the inclusion of g functions has significant effects on the computed Sigma D(e) values, chemical accuracy is still not reached for molecules involving multiple bonds. A Gaussian-1 (G) type correction lowers the error, but not much beyond the accuracy of the G1 model itself. Using separate corrections for sigma bonds, pi bonds, and valence pairs brings down the mean absolute error to less than 1 kcal/mol for the spdf basis sets, and about 0.5 kcal/mol for the spdfg basis sets. Some conclusions on the success of the Gaussian-1 and Gaussian-2 models are drawn.
Basis set and electron correlation effects on the polarizability and second hyperpolarizability of model open-shell π-conjugated systems

NASA Astrophysics Data System (ADS)

Champagne, Benoı̂t; Botek, Edith; Nakano, Masayoshi; Nitta, Tomoshige; Yamaguchi, Kizashi

2005-03-01

The basis set and electron correlation effects on the static polarizability (α) and second hyperpolarizability (γ) are investigated ab initio for two model open-shell π-conjugated systems, the C5H7 radical and the C6H8 radical cation in their doublet state. Basis set investigations evidence that the linear and nonlinear responses of the radical cation necessitate the use of a less extended basis set than its neutral analog. Indeed, double-zeta-type basis sets supplemented by a set of d polarization functions but no diffuse functions already provide accurate (hyper)polarizabilities for C6H8 whereas diffuse functions are compulsory for C5H7, in particular, p diffuse functions. In addition to the 6-31G*+pd basis set, basis sets resulting from removing not necessary diffuse functions from the augmented correlation consistent polarized valence double zeta basis set have been shown to provide (hyper)polarizability values of similar quality as more extended basis sets such as augmented correlation consistent polarized valence triple zeta and doubly augmented correlation consistent polarized valence double zeta. Using the selected atomic basis sets, the (hyper)polarizabilities of these two model compounds are calculated at different levels of approximation in order to assess the impact of including electron correlation. As a function of the method of calculation antiparallel and parallel variations have been demonstrated for α and γ of the two model compounds, respectively. For the polarizability, the unrestricted Hartree-Fock and unrestricted second-order Møller-Plesset methods bracket the reference value obtained at the unrestricted coupled cluster singles and doubles with a perturbative inclusion of the triples level whereas the projected unrestricted second-order Møller-Plesset results are in much closer agreement with the unrestricted coupled cluster singles and doubles with a perturbative inclusion of the triples values than the projected unrestricted Hartree-Fock results. Moreover, the differences between the restricted open-shell Hartree-Fock and restricted open-shell second-order Møller-Plesset methods are small. In what concerns the second hyperpolarizability, the unrestricted Hartree-Fock and unrestricted second-order Møller-Plesset values remain of similar quality while using spin-projected schemes fails for the charged system but performs nicely for the neutral one. The restricted open-shell schemes, and especially the restricted open-shell second-order Møller-Plesset method, provide for both compounds γ values close to the results obtained at the unrestricted coupled cluster level including singles and doubles with a perturbative inclusion of the triples. Thus, to obtain well-converged α and γ values at low-order electron correlation levels, the removal of spin contamination is a necessary but not a sufficient condition. Density-functional theory calculations of α and γ have also been carried out using several exchange-correlation functionals. Those employing hybrid exchange-correlation functionals have been shown to reproduce fairly well the reference coupled cluster polarizability and second hyperpolarizability values. In addition, inclusion of Hartree-Fock exchange is of major importance for determining accurate polarizability whereas for the second hyperpolarizability the gradient corrections are large.
An Accurate ab initio Quartic Force Field and Vibrational Frequencies for CH4 and Isotopomers

NASA Technical Reports Server (NTRS)

Lee, Timothy J.; Martin, Jan M. L.; Taylor, Peter R.

1995-01-01

A very accurate ab initio quartic force field for CH4 and its isotopomers is presented. The quartic force field was determined with the singles and doubles coupled-cluster procedure that includes a quasiperturbative estimate of the effects of connected triple excitations, CCSD(T), using the correlation consistent polarized valence triple zeta, cc-pVTZ, basis set. Improved quadratic force constants were evaluated with the correlation consistent polarized valence quadruple zeta, cc-pVQZ, basis set. Fundamental vibrational frequencies are determined using second-order perturbation theory anharmonic analyses. All fundamentals of CH4 and isotopomers for which accurate experimental values exist and for which there is not a large Fermi resonance, are predicted to within +/- 6 cm(exp -1). It is thus concluded that our predictions for the harmonic frequencies and the anharmonic constants are the most accurate estimates available. It is also shown that using cubic and quartic force constants determined with the correlation consistent polarized double zeta, cc-pVDZ, basis set in conjunction with the cc-pVQZ quadratic force constants and equilibrium geometry leads to accurate predictions for the fundamental vibrational frequencies of methane, suggesting that this approach may be a viable alternative for larger molecules. Using CCSD(T), core correlation is found to reduce the CH4 r(e), by 0.0015 A. Our best estimate for r, is 1.0862 +/- 0.0005 A.
Surface charge control for zwitterionic polymer brushes: Tailoring surface properties to antifouling applications.

PubMed

Guo, Shanshan; Jańczewski, Dominik; Zhu, Xiaoying; Quintana, Robert; He, Tao; Neoh, Koon Gee

2015-08-15

Electrostatic interactions play an important role in adhesion phenomena particularly for biomacromolecules and microorganisms. Zero charge valence of zwitterions has been claimed as the key to their antifouling properties. However, due to the differences in the relative strength of their acid and base components, zwitterionic materials may not be charge neutral in aqueous environments. Thus, their charge on surfaces should be further adjusted for a specific pH environment, e.g. physiological pH typical in biomedical applications. Surface zeta potential for thin polymeric films composed of polysulfobetaine methacrylate (pSBMA) brushes is controlled through copolymerizing zwitterionic SBMA and cationic methacryloyloxyethyltrimethyl ammonium chloride (METAC) via surface-initiated atom transfer polymerization. Surface properties including zeta potential, roughness, free energy and thickness are measured and the antifouling performance of these surfaces is assessed. The zeta potential of pSBMA brushes is -40 mV across a broad pH range. By adding 2% METAC, the zeta potential of pSBMA can be tuned to zero at physiological pH while minimally affecting other physicochemical properties including dry brush thickness, surface free energy and surface roughness. Surfaces with zero and negative zeta potential best resist fouling by bovine serum albumin, Escherichia coli and Staphylococcus aureus. Surfaces with zero zeta potential also reduce fouling by lysozyme more effectively than surfaces with negative and positive zeta potential. Copyright © 2015 Elsevier Inc. All rights reserved.
Some considerations about Gaussian basis sets for electric property calculations

NASA Astrophysics Data System (ADS)

Arruda, Priscilla M.; Canal Neto, A.; Jorge, F. E.

Recently, segmented contracted basis sets of double, triple, and quadruple zeta valence quality plus polarization functions (XZP, X = D, T, and Q, respectively) for the atoms from H to Ar were reported. In this work, with the objective of having a better description of polarizabilities, the QZP set was augmented with diffuse (s and p symmetries) and polarization (p, d, f, and g symmetries) functions that were chosen to maximize the mean dipole polarizability at the UHF and UMP2 levels, respectively. At the HF and B3LYP levels of theory, electric dipole moment and static polarizability for a sample of molecules were evaluated. Comparison with experimental data and results obtained with a similar size basis set, whose diffuse functions were optimized for the ground state energy of the anion, was done.
Influence of basis-set size on the X Σ 1 /2 +2 , A Π 1 /2 2 , A Π 3 /2 2 , and B Σ 1 /2 +2 potential-energy curves, A Π 3 /2 2 vibrational energies, and D1 and D2 line shapes of Rb+He

NASA Astrophysics Data System (ADS)

Blank, L. Aaron; Sharma, Amit R.; Weeks, David E.

2018-03-01

The X Σ 1 /2 +2 , A Π 1 /2 2 , A Π 3 /2 2 , and B2Σ1/2 + potential-energy curves for Rb+He are computed at the spin-orbit multireference configuration interaction level of theory using a hierarchy of Gaussian basis sets at the double-zeta (DZ), triple-zeta (TZ), and quadruple-zeta (QZ) levels of valence quality. Counterpoise and Davidson-Silver corrections are employed to remove basis-set superposition error and ameliorate size-consistency error. An extrapolation is performed to obtain a final set of potential-energy curves in the complete basis-set (CBS) limit. This yields four sets of systematically improved X Σ 1 /2 +2 , A Π 1 /2 2 , A Π 3 /2 2 , and B2Σ1/2 + potential-energy curves that are used to compute the A Π 3 /2 2 bound vibrational energies, the position of the D2 blue satellite peak, and the D1 and D2 pressure broadening and shifting coefficients, at the DZ, TZ, QZ, and CBS levels. Results are compared with previous calculations and experimental observation.
Electroosmotic Mixing in Nanochannels

NASA Astrophysics Data System (ADS)

Conlisk, A. T.; Chen, Lei

2004-11-01

Electroosmotic flow in nanochannels is characterized by low Reynolds number in which flow mixing is difficult because of the dominance of molecular diffusion. Previous work shows that heterogenerous surface potential could generate a circulation region within the bulk flow near the surface. But all of this work requires that the ionic species be pairs of ions of equal and opposite valence and the distribution of ions is not considered. In the present work the electroosmotic flow in a rectangular channel with non-uniform zeta potential is examined. A model for the two dimensional electroosmotic flow problem is established. The distributions of potential, velocity and mole fractions are calculated numerically. Vortex formation is observed within the bulk flow near the the region of non-uniform zeta potential which suggests mixing can be induced.
Cu(I)/Cu(II) mixed-valence surface complexes of S-[(2-hydroxyamino)-2-oxoethyl]-N,N-dibutyldithiocarbamate: Hydrophobic mechanism to malachite flotation.

PubMed

Liu, Sheng; Zhong, Hong; Liu, Guangyi; Xu, Zhenghe

2018-02-15

Hydroxamate and sulfhydryl surfactants are effective collectors for flotation of copper minerals. The combination application of hydroxamate and sulfhydryl collectors has been proved to be an effective approach for improving the flotation recovery of non-sulfide copper minerals. A surfactant owing both hydroxamate and dithiocarbamate groups might exhibit strong affinity to non-sulfide copper minerals through double sites adsorption, rendering an enhanced hydrophobization to non-sulfide copper minerals flotation. The flotation performance of S-[(2-hydroxyamino)-2-oxoethyl]- N,N-dibutyldithiocarbamate (HABTC) to malachite, calcite and quartz were first evaluated through systematic micro-flotation experiments. HABTC's hydrophobic mechanism to malachite was further investigated and analyzed by zeta potential, Fourier transform infrared spectroscopy (FTIR), time-of-flight secondary ion mass spectrometry (ToF-SIMS) and X-ray photoelectron spectroscopy (XPS). The micro-flotation results demonstrated HABTC was an excellent collector for malachite flotation and exhibited favorable selectivity for flotation separation of malachite from quartz or calcite under pH 8.5-10.3. Zeta potential and FTIR implied that HABTC might bond with the surface copper atoms of malachite, with releasing the H + ions of its hydroxamate group into pulp. ToF-SIMS provided clear evidences that the Cu-hydroxamate and Cu-dithiocarbamate groups were formed on malachite surfaces after HABTC adsorption. XPS revealed that Cu(I)/Cu(II) mixed-valence surface complexes of HABTC anchored on malachite through formation of Cu(I)S and Cu(II)O bonds, accompanying with reduction of partial surface Cu(II) to Cu(I). The Cu(I)/Cu(II) mixed-valence double chelating character and "chair"-shape N,N-dibutyldithiocarbamate hydrophobic group, resulting in an enhanced affinity and hydrophobization of HABTC to malachite flotation. Copyright © 2017 Elsevier Inc. All rights reserved.
Evaluation of the effect of valence state on cerium oxide nanoparticle toxicity following intratracheal instillation in rats

PubMed Central

Dunnick, Katherine M.; Morris, Anna M.; Badding, Melissa A.; Barger, Mark; Stefaniak, Aleksandr B.; Sabolsky, Edward M.; Leonard, Stephen S.

2016-01-01

Cerium (Ce) is becoming a popular metal for use in electrochemical applications. When in the form of cerium oxide (CeO2), Ce can exist in both 3 + and 4 + valence states, acting as an ideal catalyst. Previous in vitro and in vivo evidence have demonstrated that CeO2 has either anti- or pro-oxidant properties, possibly due to the ability of the nanoparticles to transition between valence states. Therefore, we chose to chemically modify the nanoparticles to shift the valence state toward 3+. During the hydrothermal synthesis process, 10 mol% gadolinium (Gd) and 20 mol% Gd, were substituted into the lattice of the CeO2 nanoparticles forming a perfect solid solution with various A-site valence states. These two Gd-doped CeO2 nanoparticles were compared to pure CeO2 nanoparticles. Preliminary characteristics indicated that doping results in minimal size and zeta potential changes but alters valence state. Following characterization, male Sprague-Dawley rats were exposed to 0.5 or 1.0 mg/kg nanoparticles via a single intratracheal instillation. Animals were sacrificed and bronchoalveolar lavage fluid and various tissues were collected to determine the effect of valence state and oxygen vacancies on toxicity 1-, 7-, or 84-day post-exposure. Results indicate that damage, as measured by elevations in lactate dehydrogenase, occurred within 1-day post-exposure and was sustained 7-day post-exposure, but subsided to control levels 84-day post-exposure. Furthermore, no inflammatory signaling or lipid peroxidation occurred following exposure with any of the nanoparticles. Our results implicate that valence state has a minimal effect on CeO2 nanoparticle toxicity in vivo. PMID:26898289
Is HO3 minimum cis or trans? An analytic full-dimensional ab initio isomerization path.

PubMed

Varandas, A J C

2011-05-28

The minimum energy path for isomerization of HO(3) has been explored in detail using accurate high-level ab initio methods and techniques for extrapolation to the complete basis set limit. In agreement with other reports, the best estimates from both valence-only and all-electron single-reference methods here utilized predict the minimum of the cis-HO(3) isomer to be deeper than the trans-HO(3) one. They also show that the energy varies by less than 1 kcal mol(-1) or so over the full isomerization path. A similar result is found from valence-only multireference configuration interaction calculations with the size-extensive Davidson correction and a correlation consistent triple-zeta basis, which predict the energy difference between the two isomers to be of only Δ = -0.1 kcal mol(-1). However, single-point multireference calculations carried out at the optimum triple-zeta geometry with basis sets of the correlation consistent family but cardinal numbers up to X = 6 lead upon a dual-level extrapolation to the complete basis set limit of Δ = (0.12 ± 0.05) kcal mol(-1). In turn, extrapolations with the all-electron single-reference coupled-cluster method including the perturbative triples correction yield values of Δ = -0.19 and -0.03 kcal mol(-1) when done from triple-quadruple and quadruple-quintuple zeta pairs with two basis sets of increasing quality, namely cc-cpVXZ and aug-cc-pVXZ. Yet, if added a value of 0.25 kcal mol(-1) that accounts for the effect of triple and perturbative quadruple excitations with the VTZ basis set, one obtains a coupled cluster estimate of Δ = (0.14 ± 0.08) kcal mol(-1). It is then shown for the first time from systematic ab initio calculations that the trans-HO(3) isomer is more stable than the cis one, in agreement with the available experimental evidence. Inclusion of the best reported zero-point energy difference (0.382 kcal mol(-1)) from multireference configuration interaction calculations enhances further the relative stability to ΔE(ZPE) = (0.51 ± 0.08) kcal mol(-1). A scheme is also suggested to model the full-dimensional isomerization potential-energy surface using a quadratic expansion that is parametrically represented by a Fourier analysis in the torsion angle. The method illustrated at the raw and complete basis-set limit coupled-cluster levels can provide a valuable tool for a future analysis of the available (incomplete thus far) experimental rovibrational data. This journal is © the Owner Societies 2011
Water quality monitoring: A comparative case study of municipal and Curtin Sarawak's lake samples

NASA Astrophysics Data System (ADS)

Anand Kumar, A.; Jaison, J.; Prabakaran, K.; Nagarajan, R.; Chan, Y. S.

2016-03-01

In this study, particle size distribution and zeta potential of the suspended particles in municipal water and lake surface water of Curtin Sarawak's lake were compared and the samples were analysed using dynamic light scattering method. High concentration of suspended particles affects the water quality as well as suppresses the aquatic photosynthetic systems. A new approach has been carried out in the current work to determine the particle size distribution and zeta potential of the suspended particles present in the water samples. The results for the lake samples showed that the particle size ranges from 180nm to 1345nm and the zeta potential values ranges from -8.58 mV to -26.1 mV. High zeta potential value was observed in the surface water samples of Curtin Sarawak's lake compared to the municipal water. The zeta potential values represent that the suspended particles are stable and chances of agglomeration is lower in lake water samples. Moreover, the effects of physico-chemical parameters on zeta potential of the water samples were also discussed.
Column experiments to investigate transport of colloidal humic acid through porous media during managed aquifer recharge

NASA Astrophysics Data System (ADS)

Liu, Dan; Zhou, Jingjing; Zhang, Wenjing; Huan, Ying; Yu, Xipeng; Li, Fulin; Chen, Xuequn

2017-01-01

Colloids act as vectors for pollutants in groundwater, thereby creating a series of environmental problems. While managed aquifer recharge plays an important role in protecting groundwater resources and controlling land subsidence, it has a significant effect on the transport of colloids. In this study, particle size and zeta potential of colloidal humic acid (HA) have been measured to determine the effects of different hydrochemistry conditions. Column experiments were conducted to examine the effects on the transport of colloidal HA under varying conditions of pH (5, 7, 9), ionic strength (<0.0005, 0.02, 0.05 M), cation valence (Na+, Ca2+) and flow rate (0.1, 0.2, 0.4 ml/min) through collectors (glass beads) to model the properties and quality of artificial recharge water and changes in the hydrodynamic field. Breakthrough curves showed that the behavior of colloidal HA being transported varied depending on the conditions. Colloid transport was strongly influenced by hydrochemical and hydrodynamic conditions. With decreasing pH or increasing ionic strength, a decrease in the peak effluent concentration of colloidal HA and increase in deposition could be clearly seen. Comparison of different cation valence tests indicated that changes in transport and deposition were more pronounced with divalent Ca2+ than with monovalent Na+. Changes in hydrodynamic field (flow rate) also had an impact on transportation of colloidal HA. The results of this study highlight the need for further research in this area.
An electron momentum spectroscopy and density functional theory study of the outer valence electronic structure of stella-2,6-dione

NASA Astrophysics Data System (ADS)

Nixon, K. L.; Wang, F.; Campbell, L.; Maddern, T.; Winkler, D.; Gleiter, R.; Loeb, P.; Weigold, E.; Brunger, M. J.

2003-07-01

We report on the first electron momentum spectroscopy (EMS) study into the outer valence electronic structure of the ground electronic state for the organic molecule stella-2,6-dione (C8H8O2). Experimentally measured binding-energy spectra are compared against a He(Ialpha) photoelectron spectroscopy result, while our derived momentum distributions (MDs) are compared against corresponding results from the plane wave impulse approximation (PWIA) level calculations. These computations employed density functional theory (DFT) basis states at the triple zeta valence polarization (TZVP) level, with a range of exchange-correlation (XC) functionals. A detailed comparison between the experimental and PWIA DFT-XC/TZVP calculated MDs enabled us to evaluate the accuracy of the various functionals, the Becke-Perdew (BP) XC functional being found to provide the most accurate description here. The importance of the through-bond interaction to the molecular orbitals (MOs) of stella-2,6-dione is demonstrated using the orbital imaging capability of EMS. Finally we show that the molecular geometry of this molecule, as derived from BP/TZVP, is in quite good agreement with corresponding independent experimental data.
Conformational effect of dicyclo-hexano-18-crown-6 on isotopic fractionation of zinc: DFT approach

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

Boda, A.; Singha Deb, A. K.; Ali, Sk. M.

2014-04-24

Generalized gradient approximated BP86 density functional employing triple zeta valence plus polarization (TZVP) basis set has been used to compute the reduced partition function ratio and isotopic separation factor for zinc isotopes. The isotopic separation factor was found to be in good agreement with the experimental results. The isotopic separation factor was found to depend on the conformation of the crown ether ligand. The trans-trans conformation shows the highest fractionation compared to cis-cis conformer. The present theoretical results can thus be used to plan the isotope separation experiments.

Correlated ab initio calculations of spectroscopic parameters of SnO within the framework of the higher-order generalized Douglas-Kroll transformation.

PubMed

Wolf, Alexander; Reiher, Markus; Hess, Bernd Artur

2004-05-08

The first molecular calculations with the generalized Douglas-Kroll method up to fifth order in the external potential (DKH5) are presented. We study the spectroscopic parameters and electron affinity of the tin oxide molecule SnO and its anion SnO(-) applying nonrelativistic as well as relativistic calculations with higher orders of the DK approximation. In order to guarantee highly accurate results close to the basis set limit, an all-electron basis for Sn of at least quintuple-zeta quality has been constructed and optimized. All-electron CCSD(T) calculations of the potential energy curves of both SnO and SnO(-) reproduce the experimental values very well. Relative energies and valence properties are already well described with the established standard second-order approximation DKH2 and the higher-order corrections DKH3-DKH5 hardly affect these quantities. However, an accurate description of total energies and inner-shell properties requires superior relativistic schemes up to DKH5. (c) 2004 American Institute of Physics.
Zeta Sperm Selection Improves Pregnancy Rate and Alters Sex Ratio in Male Factor Infertility Patients: A Double-Blind, Randomized Clinical Trial

PubMed Central

Nasr Esfahani, Mohammad Hossein; Deemeh, Mohammad Reza; Tavalaee, Marziyeh; Sekhavati, Mohammad Hadi; Gourabi, Hamid

2016-01-01

Background Selection of sperm for intra-cytoplasmic sperm injection (ICSI) is usually considered as the ultimate technique to alleviate male-factor infertility. In routine ICSI, selection is based on morphology and viability which does not necessarily preclude the chance injection of DNA-damaged or apoptotic sperm into the oocyte. Sperm with high negative surface electrical charge, named “Zeta potential”, are mature and more likely to have intact chromatin. In addition, X-bearing spermatozoa carry more negative charge. Therefore, we aimed to compare the clinical outcomes of Zeta procedure with routine sperm selection in infertile men candidate for ICSI. Materials and Methods From a total of 203 ICSI cycles studied, 101 cycles were allocated to density gradient centrifugation (DGC)/Zeta group and the remaining 102 were included in the DGC group in this prospective study. Clinical outcomes were com- pared between the two groups. The ratios of Xand Y bearing sperm were assessed by fluorescence in situ hybridization (FISH) and quantitative polymerase chain reaction (qPCR) methods in 17 independent semen samples. Results In the present double-blind randomized clinical trial, a significant increase in top quality embryos and pregnancy rate were observed in DGC/Zeta group compared to DGC group. Moreover, sex ratio (XY/XX) at birth significantly was lower in the DGC/Zeta group compared to DGC group despite similar ratio of X/Y bearings sper- matozoa following Zeta selection. Conclusion Zeta method not only improves the percentage of top embryo quality and pregnancy outcome but also alters the sex ratio compared to the conventional DGC method, despite no significant change in the ratio of Xand Ybearing sperm population (Registration number: IRCT201108047223N1). PMID:27441060
Transport and retention of surfactant- and polymer-stabilized engineered silver nanoparticles in silicate-dominated aquifer material.

PubMed

Adrian, Yorck F; Schneidewind, Uwe; Bradford, Scott A; Simunek, Jirka; Fernandez-Steeger, Tomas M; Azzam, Rafig

2018-05-01

Packed column experiments were conducted to investigate the transport and blocking behavior of surfactant- and polymer-stabilized engineered silver nanoparticles (Ag-ENPs) in saturated natural aquifer media with varying content of material < 0.063 mm in diameter (silt and clay fraction), background solution chemistry, and flow velocity. Breakthrough curves for Ag-ENPs exhibited blocking behavior that frequently produced a delay in arrival time in comparison to a conservative tracer that was dependent on the physicochemical conditions, and then a rapid increase in the effluent concentration of Ag-ENPs. This breakthrough behavior was accurately described using one or two irreversible retention sites that accounted for Langmuirian blocking on one site. Simulated values for the total retention rate coefficient and the maximum solid phase concentration of Ag-ENPs increased with increasing solution ionic strength, cation valence, clay and silt content, decreasing flow velocity, and for polymer-instead of surfactant-stabilized Ag-ENPs. Increased Ag-ENP retention with ionic strength occurred because of compression of the double layer and lower magnitudes in the zeta potential, whereas lower velocities increased the residence time and decreased the hydrodynamics forces. Enhanced Ag-ENP interactions with cation valence and clay were attributed to the creation of cation bridging in the presence of Ca 2+ . The delay in breakthrough was always more pronounced for polymer-than surfactant-stabilized Ag-ENPs, because of differences in the properties of the stabilizing agents and the magnitude of their zeta-potential was lower. Our results clearly indicate that the long-term transport behavior of Ag-ENPs in natural, silicate dominated aquifer material will be strongly dependent on blocking behavior that changes with the physicochemical conditions and enhanced Ag-ENP transport may occur when retention sites are filled. Copyright © 2018 Elsevier Ltd. All rights reserved.
Retention of membrane charge attributes by cryopreserved-thawed sperm and zeta selection.

PubMed

Kam, Tricia L; Jacobson, John D; Patton, William C; Corselli, Johannah U; Chan, Philip J

2007-09-01

Mature sperm can be selected based on their negative zeta electrokinetic potential. The zeta selection of cryopreserved sperm is unknown. The objective was to study the effect of zeta processing on the morphology and kinematic parameters of cryopreserved-thawed sperm. Colloid-washed sperm (N = 9 cases) were cryopreserved for 24 h, thawed and diluted in serum-free medium in positive-charged tubes. After centrifugation, the tubes were decanted, serum-supplemented medium was added and the resuspended sperm were analyzed. Untreated sperm and fresh sperm served as the controls. There were improvements in strict normal morphology in fresh (11.8 +/- 0.3 versus control 8.8 +/- 0.3 %, mean +/- SEM) and thawed (8.7 +/- 0.2 versus control 5.4 +/- 0.2%) sperm after zeta processing. Percent sperm necrosis was reduced after zeta processing (66.0 +/- 0.6 versus unprocessed 74.6 +/- 0.3%). Progression decreased by 50% but not total motility after zeta processing of thawed sperm. The results suggested that the cryopreservation process did not impact the sperm membrane net zeta potential and higher percentages of sperm with normal strict morphology, acrosome integrity and reduced necrosis were recovered. The zeta method was simple and improved the selection of quality sperm after cryopreservation but more studies would be needed before routine clinical application.
Correlation consistent basis sets for actinides. I. The Th and U atoms.

PubMed

Peterson, Kirk A

2015-02-21

New correlation consistent basis sets based on both pseudopotential (PP) and all-electron Douglas-Kroll-Hess (DKH) Hamiltonians have been developed from double- to quadruple-zeta quality for the actinide atoms thorium and uranium. Sets for valence electron correlation (5f6s6p6d), cc - pV nZ - PP and cc - pV nZ - DK3, as well as outer-core correlation (valence + 5s5p5d), cc - pwCV nZ - PP and cc - pwCV nZ - DK3, are reported (n = D, T, Q). The -PP sets are constructed in conjunction with small-core, 60-electron PPs, while the -DK3 sets utilized the 3rd-order Douglas-Kroll-Hess scalar relativistic Hamiltonian. Both series of basis sets show systematic convergence towards the complete basis set limit, both at the Hartree-Fock and correlated levels of theory, making them amenable to standard basis set extrapolation techniques. To assess the utility of the new basis sets, extensive coupled cluster composite thermochemistry calculations of ThFn (n = 2 - 4), ThO2, and UFn (n = 4 - 6) have been carried out. After accurately accounting for valence and outer-core correlation, spin-orbit coupling, and even Lamb shift effects, the final 298 K atomization enthalpies of ThF4, ThF3, ThF2, and ThO2 are all within their experimental uncertainties. Bond dissociation energies of ThF4 and ThF3, as well as UF6 and UF5, were similarly accurate. The derived enthalpies of formation for these species also showed a very satisfactory agreement with experiment, demonstrating that the new basis sets allow for the use of accurate composite schemes just as in molecular systems composed only of lighter atoms. The differences between the PP and DK3 approaches were found to increase with the change in formal oxidation state on the actinide atom, approaching 5-6 kcal/mol for the atomization enthalpies of ThF4 and ThO2. The DKH3 atomization energy of ThO2 was calculated to be smaller than the DKH2 value by ∼1 kcal/mol.
Sketching the pion's valence-quark generalised parton distribution

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

Mezrag, C.; Chang, L.; Moutarde, H.

2015-02-01

In order to learn effectively from measurements of generalised parton distributions (GPDs), it is desirable to compute them using a framework that can potentially connect empirical information with basic features of the Standard Model. We sketch an approach to such computations, based upon a rainbow-ladder (RL) truncation of QCD's Dyson-Schwinger equations and exemplified via the pion's valence dressed-quark GPD, H-pi(V)(chi, xi, t). Our analysis focuses primarily on xi = 0, although we also capitalise on the symmetry-preserving nature of the RL truncation by connecting H-pi(V)(chi, xi = +/- 1, t) with the pion's valence-quark parton distribution amplitude. We explain thatmore » the impulse-approximation used hitherto to define the pion's valence dressed-quark GPD is generally invalid owing to omission of contributions from the gluons which bind dressed-quarks into the pion. A simple correction enables us to identify a practicable improvement to the approximation for H(pi)(V)p(chi, 0, t), expressed as the Radon transform of a single amplitude. Therewith we obtain results for H pi V(chi, 0, t) and the associated impact-parameter dependent distribution, q(pi)(V)(chi, vertical bar(b) over right arrow (perpendicular to)vertical bar), which provide a qualitatively sound picture of the pion's dressed-quark structure at a hadronic scale. We evolve the distributions to a scale zeta = 2 GeV, so as to facilitate comparisons in future with results from experiment or other nonperturbative methods. (C) 2014 Published by Elsevier B. V. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/3.0/).« less
Deviations from idealised geometries part 3: approximately tetrahedral molecules of form MX 2Y 2 studied by SCF and MP2 calculations

NASA Astrophysics Data System (ADS)

Palmer, Michael H.

1997-03-01

The relatively minor deviations from true tetrahedral geometry for molecules of type MX 2Y 2 where M is tetravalent, and X, Y are either H, Me or halogen are discussed, in the light of ab initio calculations of equilibrium geometry with a large (triple zeta valence + polarisation) basis, at both the SCF and MP2 levels. The results are compared with known experimental structural and dipole moment data; in most cases a very close correlation with experiment is found, with slight improvements in the MP2 data. The study is coupled with a localised orbital study of relevance to Bent's Rule.
Atomization Energies of SO and SO2; Basis Set Extrapolation Revisted

NASA Technical Reports Server (NTRS)

Bauschlicher, Charles W., Jr.; Ricca, Alessandra; Arnold, James (Technical Monitor)

1998-01-01

The addition of tight functions to sulphur and extrapolation to the complete basis set limit are required to obtain accurate atomization energies. Six different extrapolation procedures are tried. The best atomization energies come from the series of basis sets that yield the most consistent results for all extrapolation techniques. In the variable alpha approach, alpha values larger than 4.5 or smaller than 3, appear to suggest that the extrapolation may not be reliable. It does not appear possible to determine a reliable basis set series using only the triple and quadruple zeta based sets. The scalar relativistic effects reduce the atomization of SO and SO2 by 0.34 and 0.81 kcal/mol, respectively, and clearly must be accounted for if a highly accurate atomization energy is to be computed. The magnitude of the core-valence (CV) contribution to the atomization is affected by missing diffuse valence functions. The CV contribution is much more stable if basis set superposition errors are accounted for. A similar study of SF, SF(+), and SF6 shows that the best family of basis sets varies with the nature of the S bonding.
Collisional excitation of interstellar PO(X2Π) by He: new ab initio potential energy surfaces and scattering calculations

NASA Astrophysics Data System (ADS)

Lique, François; Jiménez-Serra, Izaskun; Viti, Serena; Marinakis, Sarantos

2018-01-01

We present the first ab initio potential energy surfaces (PESs) for the PO(X2Π)-He van der Waals system. The PESs were obtained using the open-shell partially spin-restricted coupled cluster approach with single, double and perturbative triple excitations [UCCSD(T)]. The augmented correlation-consistent polarized valence triple-zeta (aug-cc-pVTZ) basis set was employed supplemented by mid-bond functions. Integral and differential cross sections for the rotational excitation in PO-He collisions were calculated using the new PES and compared with results in similar systems. Finally, our work presents the first hyperfine-resolved cross sections for this system that are needed for accurate modelling in astrophysical environments.
Micro-Valences: Perceiving Affective Valence in Everyday Objects

PubMed Central

Lebrecht, Sophie; Bar, Moshe; Barrett, Lisa Feldman; Tarr, Michael J.

2012-01-01

Perceiving the affective valence of objects influences how we think about and react to the world around us. Conversely, the speed and quality with which we visually recognize objects in a visual scene can vary dramatically depending on that scene’s affective content. Although typical visual scenes contain mostly “everyday” objects, the affect perception in visual objects has been studied using somewhat atypical stimuli with strong affective valences (e.g., guns or roses). Here we explore whether affective valence must be strong or overt to exert an effect on our visual perception. We conclude that everyday objects carry subtle affective valences – “micro-valences” – which are intrinsic to their perceptual representation. PMID:22529828
Correlation consistent basis sets for actinides. I. The Th and U atoms

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

Peterson, Kirk A., E-mail: kipeters@wsu.edu

New correlation consistent basis sets based on both pseudopotential (PP) and all-electron Douglas-Kroll-Hess (DKH) Hamiltonians have been developed from double- to quadruple-zeta quality for the actinide atoms thorium and uranium. Sets for valence electron correlation (5f6s6p6d), cc − pV nZ − PP and cc − pV nZ − DK3, as well as outer-core correlation (valence + 5s5p5d), cc − pwCV nZ − PP and cc − pwCV nZ − DK3, are reported (n = D, T, Q). The -PP sets are constructed in conjunction with small-core, 60-electron PPs, while the -DK3 sets utilized the 3rd-order Douglas-Kroll-Hess scalar relativistic Hamiltonian. Bothmore » series of basis sets show systematic convergence towards the complete basis set limit, both at the Hartree-Fock and correlated levels of theory, making them amenable to standard basis set extrapolation techniques. To assess the utility of the new basis sets, extensive coupled cluster composite thermochemistry calculations of ThF{sub n} (n = 2 − 4), ThO{sub 2}, and UF{sub n} (n = 4 − 6) have been carried out. After accurately accounting for valence and outer-core correlation, spin-orbit coupling, and even Lamb shift effects, the final 298 K atomization enthalpies of ThF{sub 4}, ThF{sub 3}, ThF{sub 2}, and ThO{sub 2} are all within their experimental uncertainties. Bond dissociation energies of ThF{sub 4} and ThF{sub 3}, as well as UF{sub 6} and UF{sub 5}, were similarly accurate. The derived enthalpies of formation for these species also showed a very satisfactory agreement with experiment, demonstrating that the new basis sets allow for the use of accurate composite schemes just as in molecular systems composed only of lighter atoms. The differences between the PP and DK3 approaches were found to increase with the change in formal oxidation state on the actinide atom, approaching 5-6 kcal/mol for the atomization enthalpies of ThF{sub 4} and ThO{sub 2}. The DKH3 atomization energy of ThO{sub 2} was calculated to be smaller than the DKH2 value by ∼1 kcal/mol.« less
Correlation consistent basis sets for lanthanides: The atoms La–Lu

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

Lu, Qing; Peterson, Kirk A., E-mail: kipeters@wsu.edu

Using the 3rd-order Douglas-Kroll-Hess (DKH3) Hamiltonian, all-electron correlation consistent basis sets of double-, triple-, and quadruple-zeta quality have been developed for the lanthanide elements La through Lu. Basis sets designed for the recovery of valence correlation (defined here as 4f5s5p5d6s), cc-pVnZ-DK3, and outer-core correlation (valence + 4s4p4d), cc-pwCVnZ-DK3, are reported (n = D, T, and Q). Systematic convergence of both Hartree-Fock and correlation energies towards their respective complete basis set (CBS) limits are observed. Benchmark calculations of the first three ionization potentials (IPs) of La through Lu are reported at the DKH3 coupled cluster singles and doubles with perturbative triples,more » CCSD(T), level of theory, including effects of correlation down through the 4s electrons. Spin-orbit coupling is treated at the 2-component HF level. After extrapolation to the CBS limit, the average errors with respect to experiment were just 0.52, 1.14, and 4.24 kcal/mol for the 1st, 2nd, and 3rd IPs, respectively, compared to the average experimental uncertainties of 0.03, 1.78, and 2.65 kcal/mol, respectively. The new basis sets are also used in CCSD(T) benchmark calculations of the equilibrium geometries, atomization energies, and heats of formation for Gd{sub 2}, GdF, and GdF{sub 3}. Except for the equilibrium geometry and harmonic frequency of GdF, which are accurately known from experiment, all other calculated quantities represent significant improvements compared to the existing experimental quantities. With estimated uncertainties of about ±3 kcal/mol, the 0 K atomization energies (298 K heats of formation) are calculated to be (all in kcal/mol): 33.2 (160.1) for Gd{sub 2}, 151.7 (−36.6) for GdF, and 447.1 (−295.2) for GdF{sub 3}.« less
The structure and health correlates of trait repetitive thought in older adults.

PubMed

Segerstrom, Suzanne C; Roach, Abbey R; Evans, Daniel R; Schipper, Lindsey J; Darville, Audrey K

2010-09-01

Repetitive thought (RT) involves frequent or prolonged thoughts about oneself and one's world, encompassing discrete forms such as trait worry, rumination, processing, and reminiscing. These forms of RT can be described using 3 basic, underlying qualities: total propensity for RT of all types, valence (positive vs. negative content), and purpose (searching or uncertainty vs. solving or certainty). The adaptiveness of discrete forms with regard to health is likely to be related to these qualities, particularly valence and total propensity. The present study confirmed the model and identified the relationship of these qualities of RT to subjective psychological, physical, and cognitive health in older adults aged 60-94 (N = 179). As predicted, more negatively valenced trait RT was associated with worse psychological, physical, and cognitive health. More total propensity for RT was associated only with worse psychological health. Searching purpose was associated only with worse cognitive health. In turn, negatively valenced RT was predicted by poorer executive functions, suggesting that such functions may be important for directing this quality of RT. The valence of older adults' RT is important insofar as it may contribute to their sense of good or ill health. However, the propensity for all kinds of RT to associate with poorer psychological health may reflect the co-occurrence of negative and positive RT, such as rumination and emotional processing. Although RT has not been extensively investigated in older adults, it appears to play an important role in their subjective health. (c) 2010 APA, all rights reserved.
An ab initio global potential-energy surface for NH2(A(2)A') and vibrational spectrum of the Renner-Teller A(2)A'-X(2)A" system.

PubMed

Zhou, Shulan; Li, Zheng; Xie, Daiqian; Lin, Shi Ying; Guo, Hua

2009-05-14

A global potential-energy surface for the first excited electronic state of NH(2)(A(2)A(')) has been constructed by three-dimensional cubic spline interpolation of more than 20,000 ab initio points, which were calculated at the multireference configuration-interaction level with the Davidson correction using the augmented correlation-consistent polarized valence quadruple-zeta basis set. The (J=0) vibrational energy levels for the ground (X(2)A(")) and excited (A(2)A(')) electronic states of NH(2) were calculated on our potential-energy surfaces with the diagonal Renner-Teller terms. The results show a good agreement with the experimental vibrational frequencies of NH(2) and its isotopomers.
XZP + 1d and XZP + 1d-DKH basis sets for second-row elements: application to CCSD(T) zero-point vibrational energy and atomization energy calculations.

PubMed

Campos, Cesar T; Jorge, Francisco E; Alves, Júlia M A

2012-09-01

Recently, segmented all-electron contracted double, triple, quadruple, quintuple, and sextuple zeta valence plus polarization function (XZP, X = D, T, Q, 5, and 6) basis sets for the elements from H to Ar were constructed for use in conjunction with nonrelativistic and Douglas-Kroll-Hess Hamiltonians. In this work, in order to obtain a better description of some molecular properties, the XZP sets for the second-row elements were augmented with high-exponent d "inner polarization functions," which were optimized in the molecular environment at the second-order Møller-Plesset level. At the coupled cluster level of theory, the inclusion of tight d functions for these elements was found to be essential to improve the agreement between theoretical and experimental zero-point vibrational energies (ZPVEs) and atomization energies. For all of the molecules studied, the ZPVE errors were always smaller than 0.5 %. The atomization energies were also improved by applying corrections due to core/valence correlation and atomic spin-orbit effects. This led to estimates for the atomization energies of various compounds in the gaseous phase. The largest error (1.2 kcal mol(-1)) was found for SiH(4).
Thermophysical properties of krypton-helium gas mixtures from ab initio pair potentials

PubMed Central

2017-01-01

A new potential energy curve for the krypton-helium atom pair was developed using supermolecular ab initio computations for 34 interatomic distances. Values for the interaction energies at the complete basis set limit were obtained from calculations with the coupled-cluster method with single, double, and perturbative triple excitations and correlation consistent basis sets up to sextuple-zeta quality augmented with mid-bond functions. Higher-order coupled-cluster excitations up to the full quadruple level were accounted for in a scheme of successive correction terms. Core-core and core-valence correlation effects were included. Relativistic corrections were considered not only at the scalar relativistic level but also using full four-component Dirac–Coulomb and Dirac–Coulomb–Gaunt calculations. The fitted analytical pair potential function is characterized by a well depth of 31.42 K with an estimated standard uncertainty of 0.08 K. Statistical thermodynamics was applied to compute the krypton-helium cross second virial coefficients. The results show a very good agreement with the best experimental data. Kinetic theory calculations based on classical and quantum-mechanical approaches for the underlying collision dynamics were utilized to compute the transport properties of krypton-helium mixtures in the dilute-gas limit for a large temperature range. The results were analyzed with respect to the orders of approximation of kinetic theory and compared with experimental data. Especially the data for the binary diffusion coefficient confirm the predictive quality of the new potential. Furthermore, inconsistencies between two empirical pair potential functions for the krypton-helium system from the literature could be resolved. PMID:28595411
Thermophysical properties of krypton-helium gas mixtures from ab initio pair potentials

NASA Astrophysics Data System (ADS)

Jäger, Benjamin; Bich, Eckard

2017-06-01

A new potential energy curve for the krypton-helium atom pair was developed using supermolecular ab initio computations for 34 interatomic distances. Values for the interaction energies at the complete basis set limit were obtained from calculations with the coupled-cluster method with single, double, and perturbative triple excitations and correlation consistent basis sets up to sextuple-zeta quality augmented with mid-bond functions. Higher-order coupled-cluster excitations up to the full quadruple level were accounted for in a scheme of successive correction terms. Core-core and core-valence correlation effects were included. Relativistic corrections were considered not only at the scalar relativistic level but also using full four-component Dirac-Coulomb and Dirac-Coulomb-Gaunt calculations. The fitted analytical pair potential function is characterized by a well depth of 31.42 K with an estimated standard uncertainty of 0.08 K. Statistical thermodynamics was applied to compute the krypton-helium cross second virial coefficients. The results show a very good agreement with the best experimental data. Kinetic theory calculations based on classical and quantum-mechanical approaches for the underlying collision dynamics were utilized to compute the transport properties of krypton-helium mixtures in the dilute-gas limit for a large temperature range. The results were analyzed with respect to the orders of approximation of kinetic theory and compared with experimental data. Especially the data for the binary diffusion coefficient confirm the predictive quality of the new potential. Furthermore, inconsistencies between two empirical pair potential functions for the krypton-helium system from the literature could be resolved.
Negatively valenced expectancy violation predicts emotionality: A longitudinal analysis.

PubMed

Bettencourt, B Ann; Manning, Mark

2016-09-01

We hypothesized that negatively valenced expectancy violations about the quality of 1's life would predict negative emotionality. We tested this hypothesis in a 4-wave longitudinal study of breast cancer survivors. The findings showed that higher levels of negatively valenced expectancy violation, at earlier time points, were associated with greater negative emotionality, at later time points. Implications of the findings are discussed. (PsycINFO Database Record (c) 2016 APA, all rights reserved).
Thermodynamic properties of arsenic compounds and the heat of formation of the As atom from high level electronic structure calculations.

PubMed

Feller, David; Vasiliu, Monica; Grant, Daniel J; Dixon, David A

2011-12-29

Structures, vibrational frequencies, atomization energies at 0 K, and heats of formation at 0 and 298 K are predicted for the compounds As(2), AsH, AsH(2), AsH(3), AsF, AsF(2), and AsF(3) from frozen core coupled cluster theory calculations performed with large correlation consistent basis sets, up through augmented sextuple zeta quality. The coupled cluster calculations involved up through quadruple excitations. For As(2) and the hydrides, it was also possible to examine the impact of full configuration interaction on some of the properties. In addition, adjustments were incorporated to account for extrapolation to the frozen core complete basis set limit, core/valence correlation, scalar relativistic effects, the diagonal Born-Oppenheimer correction, and atomic spin orbit corrections. Based on our best theoretical D(0)(As(2)) and the experimental heat of formation of As(2), we propose a revised 0 K arsenic atomic heat of formation of 68.86 ± 0.8 kcal/mol. While generally good agreement was found between theory and experiment, the heat of formation of AsF(3) was an exception. Our best estimate is more than 7 kcal/mol more negative than the single available experimental value, which argues for a re-examination of that measurement. © 2011 American Chemical Society
Accurate energetics of small molecules containing third-row atoms Ga-Kr: A comparison of advanced ab initio and density functional theory

NASA Astrophysics Data System (ADS)

Yockel, Scott; Mintz, Benjamin; Wilson, Angela K.

2004-07-01

Advanced ab initio [coupled cluster theory through quasiperturbative triple excitations (CCSD(T))] and density functional (B3LYP) computational chemistry approaches were used in combination with the standard and augmented correlation consistent polarized valence basis sets [cc-pVnZ and aug-cc-pVnZ, where n=D(2), T(3), Q(4), and 5] to investigate the energetic and structural properties of small molecules containing third-row (Ga-Kr) atoms. These molecules were taken from the Gaussian-2 (G2) extended test set for third-row atoms. Several different schemes were used to extrapolate the calculated energies to the complete basis set (CBS) limit for CCSD(T) and the Kohn-Sham (KS) limit for B3LYP. Zero point energy and spin orbital corrections were included in the results. Overall, CCSD(T) atomization energies, ionization energies, proton affinities, and electron affinities are in good agreement with experiment, within 1.1 kcal/mol when the CBS limit has been determined using a series of two basis sets of at least triple zeta quality. For B3LYP, the overall mean absolute deviation from experiment for the three properties and the series of molecules is more significant at the KS limit, within 2.3 and 2.6 kcal/mol for the cc-pVnZ and aug-cc-pVnZ basis set series, respectively.

Energy and Spectroscopic Characterization of the Isomers of C4H3-, C6H3-, and C6H5-

NASA Technical Reports Server (NTRS)

Wright, Danielle; Bera, Partha P.; Lee, Timothy J.

2015-01-01

Organic and inorganic molecules, neutral and ions have been observed in the interstellar medium. A few anions of organic molecules have also been observed recently. The Cassini spacecraft in the upper atmosphere of Titan has observed anions of large organic molecules. In this project we have studied the physical and spectroscopic properties of C4H3-, C6H3-, and C6H5-. We have optimized the geometrical structures of all low-lying isomers of the anions, calculated rotational, and harmonic vibrational frequencies of the anions mentioned above using the B3LYP density functional along with the augmented correlation consistent polar valence triple zeta (aug-cc-pVTZ) basis set. We have found many low-lying isomers on the potential energy surface of these anions.
Emotional memory processing is influenced by sleep quality.

PubMed

Tempesta, Daniela; De Gennaro, Luigi; Natale, Vincenzo; Ferrara, Michele

2015-07-01

The recall of emotional memory is enhanced after sleep and is hindered by sleep deprivation. We used an emotional memory task to assess whether poor sleep quality, as well as sleep deprivation, may influence the accuracy of memory recognition, but also the affective tone associated with the memory. Seventy-five subjects, divided into poor sleeper (PS), good sleeper (GS), and sleep deprivation (SD) groups, completed two recall (R) sessions: R1, 1 h after the encoding phase; and R2, after one night of sleep for PS and GS groups and after one night of sleep deprivation for the SD group. During the encoding phase, the participants rated valence and arousal of 90 pictures. During R1 and R2, the participants first made a yes/no memory judgment of the 45 target pictures intermingled with 30 non-target pictures, then rated valence and arousal of each picture. Recognition accuracy was higher for the PS and GS groups compared to the SD group for all pictures. Emotional valence of the remembered pictures was more negative after sleep deprivation and poor quality sleep, while it was preserved after a good sleep. These results provide the first evidence that poor sleep quality negatively affects emotional valence of memories, within the context of preserved emotional memory consolidation. It is suggested that low sleep quality and lack of sleep may impose a more negative affective tone to memories. The reported effects are not to be ascribed to depressive mood, but to a specific influence of poor sleep quality. Copyright © 2015 Elsevier B.V. All rights reserved.
Improving ethical knowledge and sensemaking from cases through elaborative interrogation and outcome valence.

PubMed

Johnson, James F; Bagdasarov, Zhanna; MacDougall, Alexandra E; Steele, Logan; Connelly, Shane; Devenport, Lynn D; Mumford, Michael D

2014-01-01

The case-based approach to learning is popular among many applied fields. However, results of case-based education vary widely on case content and case presentation. This study examined two aspects of case-based education-outcome valence and case elaboration methods-in a two-day case-based Responsible Conduct of Research (RCR) ethics education program. Results suggest that outcome information is an integral part of a quality case. Furthermore, valence consistent outcomes may have certain advantages over mixed valence outcome information. Finally, students enjoy and excel working with case material, and the use of elaborative interrogation techniques can significantly improve internally-focused ethical sensemaking strategies associated with personal biases, constraints, and emotions.
Numerical solution of a multi-ion one-potential model for electroosmotic flow in two-dimensional rectangular microchannels.

PubMed

Van Theemsche, Achim; Deconinck, Johan; Van den Bossche, Bart; Bortels, Leslie

2002-10-01

A new more general numerical model for the simulation of electrokinetic flow in rectangular microchannels is presented. The model is based on the dilute solution model and the Navier-Stokes equations and has been implemented in a finite-element-based C++ code. The model includes the ion distribution in the Helmholtz double layer and considers only one single electrical' potential field variable throughout the domain. On a charged surface(s) the surface charge density, which is proportional to the local electrical field, is imposed. The zeta potential results, then, from this boundary condition and depends on concentrations, temperature, ion valence, molecular diffusion coefficients, and geometric conditions. Validation cases show that the model predicts accurately known analytical results, also for geometries having dimensions comparable to the Debye length. As a final study, the electro-osmotic flow in a controlled cross channel is investigated.
Toward a W4-F12 approach: Can explicitly correlated and orbital-based ab initio CCSD(T) limits be reconciled?

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

Sylvetsky, Nitai, E-mail: gershom@weizmann.ac.il; Martin, Jan M. L., E-mail: gershom@weizmann.ac.il; Peterson, Kirk A., E-mail: kipeters@wsu.edu

2016-06-07

In the context of high-accuracy computational thermochemistry, the valence coupled cluster with all singles and doubles (CCSD) correlation component of molecular atomization energies presents the most severe basis set convergence problem, followed by the (T) component. In the present paper, we make a detailed comparison, for an expanded version of the W4-11 thermochemistry benchmark, between, on the one hand, orbital-based CCSD/AV{5,6}Z + d and CCSD/ACV{5,6}Z extrapolation, and on the other hand CCSD-F12b calculations with cc-pVQZ-F12 and cc-pV5Z-F12 basis sets. This latter basis set, now available for H–He, B–Ne, and Al–Ar, is shown to be very close to the basis setmore » limit. Apparent differences (which can reach 0.35 kcal/mol for systems like CCl{sub 4}) between orbital-based and CCSD-F12b basis set limits disappear if basis sets with additional radial flexibility, such as ACV{5,6}Z, are used for the orbital calculation. Counterpoise calculations reveal that, while total atomization energies with V5Z-F12 basis sets are nearly free of BSSE, orbital calculations have significant BSSE even with AV(6 + d)Z basis sets, leading to non-negligible differences between raw and counterpoise-corrected extrapolated limits. This latter problem is greatly reduced by switching to ACV{5,6}Z core-valence basis sets, or simply adding an additional zeta to just the valence orbitals. Previous reports that all-electron approaches like HEAT (high-accuracy extrapolated ab-initio thermochemistry) lead to different CCSD(T) limits than “valence limit + CV correction” approaches like Feller-Peterson-Dixon and Weizmann-4 (W4) theory can be rationalized in terms of the greater radial flexibility of core-valence basis sets. For (T) corrections, conventional CCSD(T)/AV{Q,5}Z + d calculations are found to be superior to scaled or extrapolated CCSD(T)-F12b calculations of similar cost. For a W4-F12 protocol, we recommend obtaining the Hartree-Fock and valence CCSD components from CCSD-F12b/cc-pV{Q,5}Z-F12 calculations, but the (T) component from conventional CCSD(T)/aug’-cc-pV{Q,5}Z + d calculations using Schwenke’s extrapolation; post-CCSD(T), core-valence, and relativistic corrections are to be obtained as in the original W4 theory. W4-F12 is found to agree slightly better than W4 with ATcT (active thermochemical tables) data, at a substantial saving in computation time and especially I/O overhead. A W4-F12 calculation on benzene is presented as a proof of concept.« less
Effect of Humic Acids and pesticides on Agricultural Soil Structure and Stability and Its Implication on Soil Quality

NASA Astrophysics Data System (ADS)

Gaonkar, O. D.; Nambi, I. M.; G, S. K.

2016-12-01

The functional and morphological aspects of soil structure determine the soil quality. The dispersion of colloidal soil particles, especially the clay fraction and rupture of soil aggregates, both of which play an important role in soil structure development, lead to degradation of soil quality. The main objective of this work was to determine the effect of behaviour of soil colloids on the agricultural soil structure and quality. The effect of commercial humic acid, organophosphate pesticides and soil natural organic matter on the electrical and structural properties of the soil colloids was also studied. Agricultural soil, belonging to the sandy loam texture class from northern part of India was considered in this study. In order to understand the changes in the soil quality in the presence and absence of humic acids, the soil fabric and structure was analyzed by X-ray diffraction (XRD), Fourier Transform Infrared (FTIR) Spectroscopy and Scanning Electron Microscopy (SEM). Electrical properties of natural soil colloids in aqueous suspensions were assessed by zeta potential measurements at varying pH values with and without the presence of humic acids and pesticides. The influence of natural organic matter was analyzed by oxidizing the natural soil organic matter with hydrogen peroxide. The zeta potential of the soil colloids was found to be negative in the pH range studied. The results indicated that hydrogen peroxide treatment lead to deflocculation of colloidal soil particles. In addition, the humic acids undergoes effective adsorption onto the soil surface imparting more negative zeta potential to the colloidal soil particles. The soil hydrophilicity decreased in the presence of humic acids which was confirmed by surface free energy determination. Thus, it can be concluded that the presence of humic acids altered the soil fabric and structure, thereby affecting the soil quality. This study assumes significance in understanding the soil aggregation and the interactions at soil solid-liquid interface.
"Turn Up the Taste": Assessing the Role of Taste Intensity and Emotion in Mediating Crossmodal Correspondences between Basic Tastes and Pitch.

PubMed

Wang, Qian Janice; Wang, Sheila; Spence, Charles

2016-05-01

People intuitively match basic tastes to sounds of different pitches, and the matches that they make tend to be consistent across individuals. It is, though, not altogether clear what governs such crossmodal mappings between taste and auditory pitch. Here, we assess whether variations in taste intensity influence the matching of taste to pitch as well as the role of emotion in mediating such crossmodal correspondences. Participants were presented with 5 basic tastants at 3 concentrations. In Experiment 1, the participants rated the tastants in terms of their emotional arousal and valence/pleasantness, and selected a musical note (from 19 possible pitches ranging from C2 to C8) and loudness that best matched each tastant. In Experiment 2, the participants made emotion ratings and note matches in separate blocks of trials, then made emotion ratings for all 19 notes. Overall, the results of the 2 experiments revealed that both taste quality and concentration exerted a significant effect on participants' loudness selection, taste intensity rating, and valence and arousal ratings. Taste quality, not concentration levels, had a significant effect on participants' choice of pitch, but a significant positive correlation was observed between individual perceived taste intensity and pitch choice. A significant and strong correlation was also demonstrated between participants' valence assessments of tastants and their valence assessments of the best-matching musical notes. These results therefore provide evidence that: 1) pitch-taste correspondences are primarily influenced by taste quality, and to a lesser extent, by perceived intensity; and 2) such correspondences may be mediated by valence/pleasantness. © The Author 2016. Published by Oxford University Press.
“Turn Up the Taste”: Assessing the Role of Taste Intensity and Emotion in Mediating Crossmodal Correspondences between Basic Tastes and Pitch

PubMed Central

Wang, Sheila; Spence, Charles

2016-01-01

People intuitively match basic tastes to sounds of different pitches, and the matches that they make tend to be consistent across individuals. It is, though, not altogether clear what governs such crossmodal mappings between taste and auditory pitch. Here, we assess whether variations in taste intensity influence the matching of taste to pitch as well as the role of emotion in mediating such crossmodal correspondences. Participants were presented with 5 basic tastants at 3 concentrations. In Experiment 1, the participants rated the tastants in terms of their emotional arousal and valence/pleasantness, and selected a musical note (from 19 possible pitches ranging from C2 to C8) and loudness that best matched each tastant. In Experiment 2, the participants made emotion ratings and note matches in separate blocks of trials, then made emotion ratings for all 19 notes. Overall, the results of the 2 experiments revealed that both taste quality and concentration exerted a significant effect on participants’ loudness selection, taste intensity rating, and valence and arousal ratings. Taste quality, not concentration levels, had a significant effect on participants’ choice of pitch, but a significant positive correlation was observed between individual perceived taste intensity and pitch choice. A significant and strong correlation was also demonstrated between participants’ valence assessments of tastants and their valence assessments of the best-matching musical notes. These results therefore provide evidence that: 1) pitch–taste correspondences are primarily influenced by taste quality, and to a lesser extent, by perceived intensity; and 2) such correspondences may be mediated by valence/pleasantness. PMID:26873934
Aesthetic valence of visual illusions

PubMed Central

Stevanov, Jasmina; Marković, Slobodan; Kitaoka, Akiyoshi

2012-01-01

Visual illusions constitute an interesting perceptual phenomenon, but they also have an aesthetic and affective dimension. We hypothesized that the illusive nature itself causes the increased aesthetic and affective valence of illusions compared with their non-illusory counterparts. We created pairs of stimuli. One qualified as a standard visual illusion whereas the other one did not, although they were matched in as many perceptual dimensions as possible. The phenomenal quality of being an illusion had significant effects on “Aesthetic Experience” (fascinating, irresistible, exceptional, etc), “Evaluation” (pleasant, cheerful, clear, bright, etc), “Arousal” (interesting, imaginative, complex, diverse, etc), and “Regularity” (balanced, coherent, clear, realistic, etc). A subsequent multiple regression analysis suggested that Arousal was a better predictor of Aesthetic Experience than Evaluation. The findings of this study demonstrate that illusion is a phenomenal quality of the percept which has measurable aesthetic and affective valence. PMID:23145272
Engineering of budesonide-loaded lipid-polymer hybrid nanoparticles using a quality-by-design approach.

PubMed

Leng, Donglei; Thanki, Kaushik; Fattal, Elias; Foged, Camilla; Yang, Mingshi

2017-08-25

Chronic obstructive pulmonary disease (COPD) is a complex disease, characterized by persistent airflow limitation and chronic inflammation. The purpose of this study was to design lipid-polymer hybrid nanoparticles (LPNs) loaded with the corticosteroid, budesonide, which could potentially be combined with small interfering RNA (siRNA) for COPD management. Here, we prepared LPNs based on the biodegradable polymer poly(dl-lactic-co-glycolic acid) (PLGA) and the cationic lipid dioleyltrimethylammonium propane (DOTAP) using a double emulsion solvent evaporation method. A quality-by-design (QbD) approach was adopted to define the optimal formulation parameters. The quality target product profile (QTPP) of the LPNs was identified based on risk assessment. Two critical formulation parameters (CFPs) were identified, including the theoretical budesonide loading and the theoretical DOTAP loading. The CFPs were linked to critical quality attributes (CQAs), which included the intensity-based hydrodynamic particle diameter (z-average), the polydispersity index (PDI), the zeta-potential, the budesonide encapsulation efficiency, the actual budesonide loading and the DOTAP encapsulation efficiency. A response surface methodology (RSM) was applied for the experimental design to evaluate the influence of the CFPs on the CQAs, and to identify the optimal operation space (OOS). All nanoparticle dispersions displayed monodisperse size distributions (PDI<0.2) with z-averages of approximately 150nm, suggesting that the size is not dependent on the investigated CFPs. In contrast, the zeta-potential was highly dependent on the theoretical DOTAP loading. Upon increased DOTAP loading, the zeta-potential reached a maximal point, after which it remained stable at the maximum value. This suggests that the LPN surface is covered by DOTAP, and that the DOTAP loading is saturable. The actual budesonide loading of the LPNs was mainly dependent on the initial amount of budesonide, and a clear positive effect was observed, which shows that the interaction between drug and PLGA increases when increasing the initial amount of budesonide. The OOS was modeled by applying the QTPP. The OOS had a budesonide encapsulation efficiency higher than 30%, a budesonide loading above 15μg budesonide/mg PLGA, a zeta-potential higher than 35mV and a DOTAP encapsulation efficiency above 50%. This study shows the importance of systematic formulation design for understanding the effect of formulation parameters on the characteristics of LPNs, eventually resulting in the identification of an OOS. Copyright © 2017 Elsevier B.V. All rights reserved.
Removal of envelope protein-free retroviral vectors by anion-exchange chromatography to improve product quality.

PubMed

Rodrigues, Teresa; Alves, Ana; Lopes, António; Carrondo, Manuel J T; Alves, Paula M; Cruz, Pedro E

2008-10-01

We have investigated the role of the retroviral lipid bilayer and envelope proteins in the adsorption of retroviral vectors (RVs) to a Fractogel DEAE matrix. Intact RVs and their degradation components (envelope protein-free vectors and solubilized vector components) were adsorbed to this matrix and eluted using a linear gradient. Envelope protein-free RVs (Env(-)) and soluble envelope proteins (gp70) eluted in a significantly lower range of conductivities than intact RVs (Env(+)) (13.7-30 mS/cm for Env(-) and gp70 proteins vs. 47-80 mS/cm for Env(+)). The zeta (zeta)-potential of Env(+) and Env(-) vectors was evaluated showing that envelope proteins define the pI of the viral particles (pI (Env(+)) < 2 versus 3 < pI (Env(-)) < 4) and that Env(+) and Env(-) vectors have similar zeta-potentials within pH 5 and 8. The results presented herein indicate that the adsorption of retroviral particles occurs through multi-point interaction of the envelope proteins with the cationic groups on the chromatographic matrix. The strength of this adsorption is thus dependent on the amount of envelope protein present in the viral lipid bilayer. In conclusion, AEXc enables the separation of gp70 proteins as well as envelope protein-free vectors constituting a significant improvement to the quality of retroviral preparations for gene therapy applications.
The valence and Rydberg states of difluoromethane: A combined experimental vacuum ultraviolet spectrum absorption and theoretical study by ab initio configuration interaction and density functional computations

NASA Astrophysics Data System (ADS)

Palmer, Michael H.; Vrønning Hoffmann, Søren; Jones, Nykola C.; Coreno, Marcello; de Simone, Monica; Grazioli, Cesare

2018-06-01

The vacuum ultraviolet (VUV) spectrum for CH2F2 from a new synchrotron study has been combined with earlier data and subjected to detailed scrutiny. The onset of absorption, band I and also band IV, is resolved into broad vibrational peaks, which contrast with the continuous absorption previously claimed. A new theoretical analysis, using a combination of time dependent density functional theory (TDDFT) calculations and complete active space self-consistent field, leads to a major new interpretation. Adiabatic excitation energies (AEEs) and vertical excitation energies, evaluated by these methods, are used to interpret the spectra in unprecedented detail using theoretical vibronic analysis. This includes both Franck-Condon (FC) and Herzberg-Teller (HT) effects on cold and hot bands. These results lead to the re-assignment of several known excited states and the identification of new ones. The lowest calculated AEE sequence for singlet states is 11B1 ˜ 11A2 < 21B1 < 11A1 < 21A1 < 11B2 < 31A1 < 31B1. These, together with calculated higher energy states, give a satisfactory account of the principal maxima observed in the VUV spectrum. Basis sets up to quadruple zeta valence with extensive polarization are used. The diffuse functions within this type of basis generate both valence and low-lying Rydberg excited states. The optimum position for the site of further diffuse functions in the calculations of Rydberg states is shown to lie on the H-atoms. The routine choice on the F-atoms is shown to be inadequate for both CHF3 and CH2F2. The lowest excitation energy region has mixed valence and Rydberg character. TDDFT calculations show that the unusual structure of the onset arises from the near degeneracy of 11B1 and 11A2 valence states, which mix in symmetric and antisymmetric combinations. The absence of fluorescence in the 10.8-11 eV region contrasts with strong absorption. This is interpreted by the 21B1 and 11A1 states where no fluorescence is calculated for these two states, which are only active in absorption. The nature of the two states, 11B1 and 21B1, is fundamentally different, but both are complex owing to the presence of FC and HT effects occurring in different ways. The two most intense bands, close to 12.5 and 15.5 eV, contain valence states as expected; the onset of the 15.5 eV band shows a set of vibrational peaks, but the vibration frequency does not correspond to any of the photoelectron spectral (PES) structure and is clearly valence in nature. The routine use of PES footprints to detect Rydberg states in VUV spectra is shown to be inadequate. The combined effects of FC and HT in the VUV spectral bands lead to additional vibrations when compared with the PES.
Activation-induced proteolysis of cytoplasmic domain of zeta in T cell receptors and Fc receptors.

PubMed

Taupin, J L; Anderson, P

1994-12-01

The CD3-T cell receptor (TCR) complex on T cells and the Fc gamma receptor type III (Fc gamma RIII)-zeta-gamma complex on natural killer cells are functionally analogous activation receptors that associate with a family of disulfide-linked dimers composed of the related subunits zeta and gamma. Immunochemical analysis of receptor complexes separated on two-dimensional diagonal gels allowed the identification of a previously uncharacterized zeta-p14 heterodimer. zeta-p14 is a component of both CD3-TCR and Fc gamma RIII-zeta-gamma. Peptide mapping analysis shows that p14 is structurally related to zeta, suggesting that it is either: (i) derived from zeta proteolytically or (ii) the product of an alternatively spliced mRNA. The observation that COS cells transformed with a cDNA encoding zeta express zeta-p14 supports the former possibility. The expression of CD3-TCR complexes including zeta-p14 increases following activation with phorbol 12-myristate 13-acetate or concanavalin A, suggesting that proteolysis of zeta may contribute to receptor modulation or desensitization.
A full-dimensional potential energy surface and quantum dynamics of inelastic collision process for H2-HF

NASA Astrophysics Data System (ADS)

Yang, Dongzheng; Huang, Jing; Zuo, Junxiang; Hu, Xixi; Xie, Daiqian

2018-05-01

A full-dimensional ab initio potential energy surface for the H2-HF van der Waals complex was constructed by employing the coupled-cluster singles and doubles with noniterative inclusion of connected triples with augmented correlation-consistent polarised valence quadruple-zeta basis set plus bond functions. Using the improved coupled-states approximation including the nearest neighbor Coriolis couplings, we calculated the state-to-state scattering dynamics for pure rotational and ro-vibrational energy transfer processes. For pure rotational energy transfer, our results showed a different dynamical behavior for para-H2 and ortho-H2 in collision with hydrogen fluoride (HF), which is consistent with the previous study. Interestingly, some strong resonant peaks were presented in the cross sections for ro-vibrational energy transfer. In addition, the calculated vibrational-resolved rate constant is in agreement with the experimental results reported by Bott et al. These dynamics data can be further applied to the numerical simulation of HF chemical lasers.
Dissociative recombination of the ground state of N2(+)

NASA Technical Reports Server (NTRS)

Guberman, Steven L.

1991-01-01

Large-scale calculations of the dissociative recombination cross sections and rates for the v = 0 level of the N2(+) ground state are reported, and the important role played by vibrationally excited Rydberg states lying both below and above the v = 0 level of the ion is demonstrated. The large-scale electronic wave function calculations were done using triple zeta plus polarization nuclear-centered-valence Gaussian basis sets. The electronic widths were obtained using smaller wave functions, and the cross sections were calculated on the basis of the multichannel quantum defect theory. The DR rate is calculated at 1.6 x 10 to the -7th x (Te/300) to the -0.37 cu cm/sec for Te in the range of 100 to 1000 K, and is found to be in excellent agreement with prior microwave afterglow experiments but in disagreement with recent merged beam results. It is inferred that the dominant mechanism for DR imparts sufficient energy to the product atoms to allow for escape from the Martian atmosphere.
A toxin-antitoxin module as a target for antimicrobial development.

PubMed

Lioy, Virginia S; Rey, Oscar; Balsa, Dolors; Pellicer, Teresa; Alonso, Juan C

2010-01-01

The emergence and spread of pathogenic bacteria that have become resistant to multiple antibiotics through lateral gene transfer have created the need of novel antimicrobials. Toxin-antitoxin (TA) modules, which have been implicated in plasmid maintenance and stress management, are ubiquitous among plasmids from vancomycin or methicillin resistant bacteria. In the Streptococcus pyogenes pSM19035-encoded TA loci, the labile epsilon antitoxin binds to free zeta toxin and neutralizes it. When the zeta toxin is freed from the epsilon antitoxin, it induces a reversible state of growth arrest with a drastic reduction on the rate of replication, transcription and translation. However, upon prolonged zeta toxin action, the cells can no longer be rescued from their stasis state. A compound that disrupts the epsilon.zeta interaction can be considered as an attractive antimicrobial agent. Gene epsilon was fused to luc (Luc-epsilon antitoxin) and zeta to the gfp gene (zeta-GFP). Luc-epsilon or epsilon antitoxin neutralizes the toxic effect of the zeta or zeta-GFP toxin. In the absence of the antitoxin, free zeta or zeta-GFP triggers a reversible loss of cell proliferation, but the zetaK46A-GFP variant fails to block growth. Bioluminescence resonance energy transfer (BRET) assay was developed for high-throughput screening (HTS). To develop the proper controls, molecular dynamics studies were used to predict that the Asp18 and/or Glu22 residues might be relevant for epsilon.zeta interaction. Luc-epsilon efficiently transfers the excited energy to the fluorescent acceptor molecule (zeta-GFP or zetaK46A-GFP) and rendered high bioluminescence BRET signals. The exchange of Asp18 to Ala from zeta (D18A) affects Luc-epsilon.zetaD18A K46A-GFP interaction. In this study, we validate the hypothesis that it is possible to disrupt a TA module and offer a novel and unexploited targets to fight against antibiotic-resistant strains. Copyright 2009 Elsevier Inc. All rights reserved.
AgI alloying in SnTe boosts the thermoelectric performance via simultaneous valence band convergence and carrier concentration optimization

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

Banik, Ananya; Biswas, Kanishka, E-mail: kanishka@jncasr.ac.in

SnTe, a Pb-free analogue of PbTe, was earlier assumed to be a poor thermoelectric material due to excess p-type carrier concentration and large energy separation between light and heavy hole valence bands. Here, we report the enhancement of the thermoelectric performance of p-type SnTe by Ag and I co-doping. AgI (1–6 mol%) alloying in SnTe modulates its electronic structure by increasing the band gap of SnTe, which results in decrease in the energy separation between its light and heavy hole valence bands, thereby giving rise to valence band convergence. Additionally, iodine doping in the Te sublattice of SnTe decreases themore » excess p-type carrier concentration. Due to significant decrease in hole concentration and reduction of the energy separation between light and heavy hole valence bands, significant enhancement in Seebeck coefficient was achieved at the temperature range of 600–900 K for Sn{sub 1−x}Ag{sub x}Te{sub 1−x}I{sub x} samples. A maximum thermoelectric figure of merit, zT, of ~1.05 was achieved at 860 K in high quality crystalline ingot of p-type Sn{sub 0.95}Ag{sub 0.05}Te{sub 0.95}I{sub 0.05}. - Graphical abstract: Significant decrease in hole concentration and reduction of the energy separation between light and heavy hole valence bands resulted in a maximum thermoelectric figure of merit, zT, of ~1.05 at 860 K in high quality crystalline ingot of p-type Sn{sub 0.95}Ag{sub 0.05}Te{sub 0.95}I{sub 0.05}. - Highlights: • AgI alloying in SnTe increases the principle band gap. • Hole concentration reduction and valence band convergence enhances thermopower of SnTe-AgI. • A maximum zT of ~1.05 was achieved at 860 K in p-type Sn{sub 0.95}Ag{sub 0.05}Te{sub 0.95}I{sub 0.05}.« less
Quality by design approach for understanding the critical quality attributes of cyclosporine ophthalmic emulsion.

PubMed

Rahman, Ziyaur; Xu, Xiaoming; Katragadda, Usha; Krishnaiah, Yellela S R; Yu, Lawrence; Khan, Mansoor A

2014-03-03

Restasis is an ophthalmic cyclosporine emulsion used for the treatment of dry eye syndrome. There are no generic products for this product, probably because of the limitations on establishing in vivo bioequivalence methods and lack of alternative in vitro bioequivalence testing methods. The present investigation was carried out to understand and identify the appropriate in vitro methods that can discriminate the effect of formulation and process variables on critical quality attributes (CQA) of cyclosporine microemulsion formulations having the same qualitative (Q1) and quantitative (Q2) composition as that of Restasis. Quality by design (QbD) approach was used to understand the effect of formulation and process variables on critical quality attributes (CQA) of cyclosporine microemulsion. The formulation variables chosen were mixing order method, phase volume ratio, and pH adjustment method, while the process variables were temperature of primary and raw emulsion formation, microfluidizer pressure, and number of pressure cycles. The responses selected were particle size, turbidity, zeta potential, viscosity, osmolality, surface tension, contact angle, pH, and drug diffusion. The selected independent variables showed statistically significant (p < 0.05) effect on droplet size, zeta potential, viscosity, turbidity, and osmolality. However, the surface tension, contact angle, pH, and drug diffusion were not significantly affected by independent variables. In summary, in vitro methods can detect formulation and manufacturing changes and would thus be important for quality control or sameness of cyclosporine ophthalmic products.
The Quality of Self, Social, and Directive Memories: Are There Adult Age Group Differences?

ERIC Educational Resources Information Center

Alea, Nicole; Arneaud, Mary Jane; Ali, Sideeka

2013-01-01

The quality of functional autobiographical memories was examined in young, middle-aged, and older adult Trinidadians ("N" = 245). Participants wrote about an event that served a self, social, and directive function, and reported on the memory's quality (e.g., significance, vividness, valence, etc.). Across age groups, directive memories…
Novel Method for Finding [zeta](2[rho]) from a Product of Sines

ERIC Educational Resources Information Center

Osler, Thomas J.

2006-01-01

Euler gave a simple method for showing that [zeta](2)=1/1[superscript 2] + 1/2[superscript 2] + 1/3[superscript 2] + ... = [pi][superscript 2]/6. He generalized his method so as to find [zeta](4), [zeta](6), [zeta](8),.... His computations became increasingly more complex as the arguments increased. In this note we show a different generalization…

Optical and electronic properties of doped p -type CuI: Explanation of transparent conductivity from first principles

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

Li, Yuwei; Sun, Jifeng; Singh, David J.

In this paper, we report the properties of the reported transparent conductor CuI, including the effect of heavy p-type doping. The results, based on first-principles calculations, include an analysis of the electronic structure and calculations of optical and dielectric properties. We find that the origin of the favorable transparent conducting behavior lies in the absence in the visible of strong interband transitions between deeper valence bands and states at the valence-band maximum that become empty with p-type doping. Instead, strong interband transitions to the valence-band maximum are concentrated in the infrared with energies below 1.3 eV. This is contrast tomore » the valence bands of many wide-band-gapmaterials. Turning to the mobility,we find that the states at the valence-band maximum are relatively dispersive. This originates from their antibonding Cu d–I p character. We find a modest enhancement of the Born effective charges relative to nominal values, leading to a dielectric constant ε(0) = 6.3. This is sufficiently large to reduce ionized impurity scattering, leading to the expectation that the properties of CuI can still be significantly improved through sample quality.« less
Optical and electronic properties of doped p -type CuI: Explanation of transparent conductivity from first principles

DOE PAGES

Li, Yuwei; Sun, Jifeng; Singh, David J.

2018-03-26

In this paper, we report the properties of the reported transparent conductor CuI, including the effect of heavy p-type doping. The results, based on first-principles calculations, include an analysis of the electronic structure and calculations of optical and dielectric properties. We find that the origin of the favorable transparent conducting behavior lies in the absence in the visible of strong interband transitions between deeper valence bands and states at the valence-band maximum that become empty with p-type doping. Instead, strong interband transitions to the valence-band maximum are concentrated in the infrared with energies below 1.3 eV. This is contrast tomore » the valence bands of many wide-band-gapmaterials. Turning to the mobility,we find that the states at the valence-band maximum are relatively dispersive. This originates from their antibonding Cu d–I p character. We find a modest enhancement of the Born effective charges relative to nominal values, leading to a dielectric constant ε(0) = 6.3. This is sufficiently large to reduce ionized impurity scattering, leading to the expectation that the properties of CuI can still be significantly improved through sample quality.« less
XPEEM valence state imaging of mineral micro-intergrowths with a spatial resolution of 100nm

NASA Astrophysics Data System (ADS)

Smith, A. D.; Schofield, P. F.; Scholl, A.; Pattrick, R. A. D.; Bridges, J. C.

2003-03-01

The crystal chemistry and textural relationships of minerals hold a vast amount of information relating to the formation, history and stability of natural materials. The application of soft X-ray spectroscopy to mineralogical material has revealed that 2p (L{2,3}) spectra provide a sensitive fingerprint of the electronic states of 3d metals. In bulk powdered samples much of the textural and microstructural information is lost, but the area-selectivity capability of X-ray Photo-Emission Electron Microscopy (XPEEM) provides the ability to obtain valence state information from mineral intergrowths with a submicron spatial resolution. Using the state-of-the-art PEEM2 facility on beamline 7.3.1.1 at the Advanced Light Source, Berkeley, USA, a range of minerals, mineral intergrowths and mineralogical textures have been studied for a broad suite of geological, planetary and environmental science materials. High-quality, multi-element valence images have been obtained showing the distribution/variation of the metal valence states across single grains or mineral intergrowths/textures at the l00 nm scale and quantitative valence state ratios can be obtained from areas of 0.01 μ m^2.
Zeta potential and Raman studies of PVP capped Bi2S3 nanoparticles synthesized by polyol method

NASA Astrophysics Data System (ADS)

Tarachand, Sathe, Vasant G.; Okram, Gunadhor S.

2018-05-01

Here we report the synthesis and characterisation of polyvinylpyrrolidone (PVP) capped Bi2S3 nanoparticles via one step catalyst-free polyol method. Raman spectroscopy, dynamic light scattering and zeta potential analysis were performed on it. Rietveld refinement of powder XRD of PVP capped samples confirmed the formation of single phase orthorhombic Bi2S3 for all PVP capped samples. The presence of eight obvious Raman modes further confirmed the formation of stoichiometric Bi2S3. Dynamic light scattering (DLS) studies show a clear increase in hydrodynamic diameter for samples made with increasing PVP concentration. Particle size obtained from DLS and XRD (using Scherrer's formula) combine with change in full width half maxima of Raman modes collectively suggest overall improvement in crystallinity and quality of product on introducing PVP. In zeta potential (ζ) measurement, steric hindrance of carbon chains plays very crucial role and a systematic reduction of ζ value is observed for samples made with decreasing PVP concentration. An isoelectric point is obtained for sample made with low PVP (1g). Present results are likely to open a window for its medical and catalytic applications.
The interstellar line spectra of zeta Ophiuchi and zeta Persei and their relation to the short wavelength microwave background radiation. Ph.D. Thesis - N. Y. Univ.

NASA Technical Reports Server (NTRS)

Bortolot, V. J., Jr.

1972-01-01

Thirty-one high dispersion Coude spectrograms of zeta Ophiuchi and seven of zeta Persei were numerically synthesized to produce high resolution, low noise spectra in the interval 3650 A to 4350 that yield data on atomic and molecular absorption in well-defined regions of the interstellar medium. The detection threshold is improved by as much as a factor 5 over single plates. Several interstellar lines were discovered in the zeta Oph - 15km/sec cloud and the zeta Per + 13 km/sec cloud.
Interlaboratory comparison for the measurement of particle size and zeta potential of silica nanoparticles in an aqueous suspension

NASA Astrophysics Data System (ADS)

Lamberty, Andrée; Franks, Katrin; Braun, Adelina; Kestens, Vikram; Roebben, Gert; Linsinger, Thomas P. J.

2011-12-01

The Institute for Reference Materials and Measurements has organised an interlaboratory comparison (ILC) to allow the participating laboratories to demonstrate their proficiency in particle size and zeta potential measurements on monomodal aqueous suspensions of silica nanoparticles in the 10-100 nm size range. The main goal of this ILC was to identify competent collaborators for the production of certified nanoparticle reference materials. 38 laboratories from four different continents participated in the ILC with different methods for particle sizing and determination of zeta potential. Most of the laboratories submitted particle size results obtained with centrifugal liquid sedimentation (CLS), dynamic light scattering (DLS) or electron microscopy (EM), or zeta potential values obtained via electrophoretic light scattering (ELS). The results of the laboratories were evaluated using method-specific z scores, calculated on the basis of consensus values from the ILC. For CLS (13 results) and EM (13 results), all reported values were within the ±2 | z| interval. For DLS, 25 of the 27 results reported were within the ±2 | z| interval, the two other results were within the ±3 | z| interval. The standard deviations of the corresponding laboratory mean values varied between 3.7 and 6.5%, which demonstrates satisfactory interlaboratory comparability of CLS, DLS and EM particle size values. From the received test reports, a large discrepancy was observed in terms of the laboratory's quality assurance systems, which are equally important for the selection of collaborators in reference material certification projects. Only a minority of the participating laboratories is aware of all the items that are mandatory in test reports compliant to ISO/IEC 17025 (ISO General requirements for the competence of testing and calibration laboratories. International Organisation for Standardization, Geneva, 2005b). The absence of measurement uncertainty values in the reports, for example, hindered the calculation of zeta scores.
Effect of pH and ionic strength on exposure and toxicity of encapsulated lambda-cyhalothrin to Daphnia magna.

PubMed

Son, Jino; Hooven, Louisa A; Harper, Bryan; Harper, Stacey L

2015-12-15

Encapsulation of pesticide active ingredients in polymers has been widely employed to control the release of poorly water-soluble active ingredients. Given the high dispersibility of these encapsulated pesticides in water, they are expected to behave differently compared to their active ingredients; however, our current understanding of the fate and effects of encapsulated pesticides is still limited. In this study, we employed a central composite design (CCD) to investigate how pH and ionic strength (IS) affect the hydrodynamic diameter (HDD) and zeta potential of encapsulated λ-cyhalothrin and how those changes affect the exposure and toxicity to Daphnia magna. R(2) values greater than 0.82 and 0.84 for HDD and zeta potential, respectively, irrespective of incubation time suggest those changes could be predicted as a function of pH and IS. For HDD, the linear factor of pH and quadratic factor of pH×pH were found to be the most significant factors affecting the change of HDD at the beginning of incubation, whereas the effects of IS and IS×IS became significant as incubation time increased. For zeta potential, the linear factor of IS and quadratic factor of IS×IS were found to be the most dominant factors affecting the change of zeta potential of encapsulated λ-cyhalothrin, irrespective of incubation time. The toxicity tests with D. magna under exposure conditions in which HDD or zeta potential of encapsulated λ-cyhalothrin was maximized or minimized in the overlying water also clearly showed the worst-case exposure condition to D. magna was when the encapsulated λ-cyhalothrin is either stable or small in the overlying water. Our results show that water quality could modify the fate and toxicity of encapsulated λ-cyhalothrin in aquatic environments, suggesting understanding their aquatic interactions are critical in environmental risk assessment. Herein, we discuss the implications of our findings for risk assessment. Copyright © 2015 Elsevier B.V. All rights reserved.
Binding of phosphoinositide-specific phospholipase C-zeta (PLC-zeta) to phospholipid membranes: potential role of an unstructured cluster of basic residues.

PubMed

Nomikos, Michail; Mulgrew-Nesbitt, Anna; Pallavi, Payal; Mihalyne, Gyongyi; Zaitseva, Irina; Swann, Karl; Lai, F Anthony; Murray, Diana; McLaughlin, Stuart

2007-06-01

Phospholipase C-zeta (PLC-zeta) is a sperm-specific enzyme that initiates the Ca2+ oscillations in mammalian eggs that activate embryo development. It shares considerable sequence homology with PLC-delta1, but lacks the PH domain that anchors PLC-delta1 to phosphatidylinositol 4,5-bisphosphate, PIP2. Thus it is unclear how PLC-zeta interacts with membranes. The linker region between the X and Y catalytic domains of PLC-zeta, however, contains a cluster of basic residues not present in PLC-delta1. Application of electrostatic theory to a homology model of PLC-zeta suggests this basic cluster could interact with acidic lipids. We measured the binding of catalytically competent mouse PLC-zeta to phospholipid vesicles: for 2:1 phosphatidylcholine/phosphatidylserine (PC/PS) vesicles, the molar partition coefficient, K, is too weak to be of physiological significance. Incorporating 1% PIP2 into the 2:1 PC/PS vesicles increases K about 10-fold, to 5x10(3) M-1, a biologically relevant value. Expressed fragments corresponding to the PLC-zeta X-Y linker region also bind with higher affinity to polyvalent than monovalent phosphoinositides on nitrocellulose filters. A peptide corresponding to the basic cluster (charge=+7) within the linker region, PLC-zeta-(374-385), binds to PC/PS vesicles with higher affinity than PLC-zeta, but its binding is less sensitive to incorporating PIP2. The acidic residues flanking this basic cluster in PLC-zeta may account for both these phenomena. FRET experiments suggest the basic cluster could not only anchor the protein to the membrane, but also enhance the local concentration of PIP2 adjacent to the catalytic domain.
Dynamic interaction between 14-3-3zeta and bax during TNF-α-induced apoptosis in living cells

NASA Astrophysics Data System (ADS)

Gao, Xuejuan; Xing, Da; Chen, Tongsheng

2006-09-01

Bax, a proapoptotic member of the Bcl-2 family, localizes largely in the cytoplasm but redistributes to mitochondria and undergoes oligomerization to induce the release of apoptogenic factors such as cytochrome c in response to apoptotic stimuli. Cytoplasmic protein 14-3-3zeta binds to Bax and, upon apoptotic stimulation, releases Bax by a caspase-independent mechanism. However, the direct interaction of the cytoplasmic 14-3-3zeta and Bax in living cells has not been observed. In present study, to monitor the dynamic interaction between 14-3-3zeta and Bax in living cells in real time during apoptosis induced by tumor necrosis factor (TNF-α), DsRed-14-3-3zeta plasmid is constructed. By cotransfecting DsRed- 14-3-3zeta and GFP-Bax plasmids into human lung adenocarcinoma cells (ASTC-a-1), we observe the dynamic interaction between Bax and 14-3-3zeta using fluorescence resonance energy transfer (FRET) technique on laser scanning confocal microscope. The results show that 14-3-3zeta remains in the cytoplasm but GFP-Bax translocates to mitochondria completely after TNF-α stimulation. These results reveal that 14-3-3zeta binds directly to Bax in healthy cells, and that 14-3-3zeta negatively regulates Bax translocation to mitochondria during TNF-α-induced apoptosis.
Secondary electroosmotic flow in microchannels with nonuniform and asymmetric Zeta potential

NASA Astrophysics Data System (ADS)

Zhang, Jinbai; He, Guowei; Liu, Feng

2004-11-01

Microfluidics has a broad range of applications in biotechnology, such as sample injection, drug delivering, solution mixing, and separations. All of these techniques require handling fluids in the low Reynolds number (Re) regime. Electroosmotic flow (EOF) or electroosmocitcs is the bulk movement of liquid relative to a stationary surface due to an externally applied electronic field. It is an alternative to pressure-driven flows with convenient implementation The driving force for EOF is dependent on the zeta potential. Previous reseraches focus on the nonuniform Zeta potential. In the present work, we consider nonuniform and asymmetric Zeta potential. The effects of asymmetric Zeta potential on the EOF are investigated analytically and simulated numerically. It is demonstrated that the nonuniform and asymmetric Zeta potential can generate more flow patterns for microfluidic control compared to symmetric Zeta potential.
Grounding context in face processing: color, emotion, and gender.

PubMed

Gil, Sandrine; Le Bigot, Ludovic

2015-01-01

In recent years, researchers have become interested in the way that the affective quality of contextual information transfers to a perceived target. We therefore examined the effect of a red (vs. green, mixed red/green, and achromatic) background - known to be valenced - on the processing of stimuli that play a key role in human interactions, namely facial expressions. We also examined whether the valenced-color effect can be modulated by gender, which is also known to be valenced. Female and male adult participants performed a categorization task of facial expressions of emotion in which the faces of female and male posers expressing two ambiguous emotions (i.e., neutral and surprise) were presented against the four different colored backgrounds. Additionally, this task was completed by collecting subjective ratings for each colored background in the form of five semantic differential scales corresponding to both discrete and dimensional perspectives of emotion. We found that the red background resulted in more negative face perception than the green background, whether the poser was female or male. However, whereas this valenced-color effect was the only effect for female posers, for male posers, the effect was modulated by both the nature of the ambiguous emotion and the decoder's gender. Overall, our findings offer evidence that color and gender have a common valence-based dimension.
Franck-Condon simulation of the single-vibronic-level emission spectra of HPCl/DPCl and the chemiluminescence spectrum of HPCl, including anharmonicity.

PubMed

Chau, Foo-Tim; Mok, Daniel K W; Lee, Edmond P F; Dyke, John M

2004-07-22

Restricted-spin coupled-cluster single-double plus perturbative triple excitation [RCCSD(T)] potential energy functions (PEFs) were calculated for the X (2)A" and A (2)A' states of HPCl employing the augmented correlation-consistent polarized-valence-quadruple-zeta (aug-cc-pVQZ) basis set. Further geometry optimization calculations were carried out on both electronic states of HPCl at the RCCSD(T) level with all electron and quasirelativistic effective core potential basis sets of better than the aug-cc-pVQZ quality, and also including some core electrons, in order to obtain more reliable geometrical parameters and relative electronic energy of the two states. Anharmonic vibrational wave functions of the two states of HPCl and DPCl, and Franck-Condon (FC) factors of the A (2)A'-X (2)A" transition were computed employing the RCCSD(T)/aug-cc-pVQZ PEFs. Calculated FC factors with allowance for Duschinsky rotation and anharmonicity were used to simulate the single-vibronic-level (SVL) emission spectra of HPCl and DPCl reported by Brandon et al. [J. Chem. Phys. 119, 2037 (2003)] and the chemiluminescence spectrum reported by Bramwell et al. [Chem. Phys. Lett. 331, 483 (2000)]. Comparison between simulated and observed SVL emission spectra gives the experimentally derived equilibrium geometry of the A (2)A' state of HPCl of r(e)(PCl) = 2.0035 +/- 0.0015 A, theta(e) = 116.08 +/- 0.60 degrees, and r(e)(HP) = 1.4063+/-0.0015 A via the iterative Franck-Condon analysis procedure. Comparison between simulated and observed chemiluminescence spectra confirms that the vibrational population distribution of the A (2)A' state of HPCl is non-Boltzmann, as proposed by Baraille et al. [Chem. Phys. 289, 263 (2003)].
Direct and converse theorems in problems of approximation by vectors of finite degree

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

Radzievski, G V

1998-04-30

Let A be a linear operator in a complex Banach space X with domain D(A) and a non-empty resolvent set. An element g element of D{sub {infinity}}(A):= intersection{sub j=0,1,...}D(A{sup j}) is called a vector of degree at most {zeta}(>0) with respect to A if ||A{sup j}g||{sub X}{<=}c(g){zeta}{sup j}, j=0,1,.... The set of vectors of degree at most {zeta} is denoted by G{sub {zeta}}(A). The quantity E{sub {zeta}}(f,A){sub X}=inf{sub gelement} {sub of{sub G}{sub {zeta}}}{sub (A)}||f-g||{sub X} is introduced and estimated in terms of the K-functional K({zeta}{sup -r},f;X,D(A{sup r}))=inf{sub gelementof} {sub D(A{sup r})}(||f-g||{sub X}+{zeta}{sup -r}||A{sup r}f||{sub X}) (the direct theorem). An estimatemore » of this K-functional in terms of E{sub {zeta}}(f,A){sub X} and ||f||{sub x} is established (the converse theorem). Using the estimates obtained, necessary and sufficient conditions for the following properties are found in terms of E{sub {zeta}}(f,A){sub X}: 1) f element of D{sub {infinity}}(A); 2) the series e{sup zA}f:={sigma}{sub r=0}{sup {infinity}}(z{sup r}A{sup r}f)/(r{exclamation_point}) converges in some disc; 3) the series e{sup zA}f converges in the entire complex plane. The growth order and the type of the entire function e{sup zA}f are calculated in terms of E{sub {zeta}}(f,A){sub X}.« less
Novel silicon-carbon fullerene-like nanostructures: an Ab initio study on the stability of Si54C6 and Si60C6 clusters.

PubMed

Srinivasan, Aravind; Ray, Asok K

2006-01-01

Silicon fullerene like nanostructures with six carbon atoms on the surface of Si60 cages by substitution, as well as inside the cage at various symmetry orientations have been studied within the generalized gradient approximation to density functional theory. Full geometry optimizations have been performed without any symmetry constraints using the Gaussian 03 suite of programs and the LANL2DZ basis set. Thus, for the silicon atom, the Hay-Wadt pseudopotential with the associated basis set are used for the core electrons and the valence electrons, respectively. For the carbon atom, the Dunning/Huzinaga double zeta basis set is employed. Electronic and geometric properties of the nanostructures are presented and discussed in detail. It was found that optimized silicon-carbon fullerene like nanostructures have increased stability compared to bare Si60 cage and the stability depends on the orientation of carbon atoms, as well as on the nature of bonding between silicon and carbon atoms and also on the carbon-carbon bonding.
The Kinetics and Thermodynamics of CO2 Capture by Aqueous Ammonia Derived Using Meta-GGA Density Functional Theory and Wavefunction-Based Model Chemistry Methods

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

Beste, Ariana; Attalla, Moetaz; Jackson, Phil

2012-01-01

A meta GGA-DFT study of CO{sub 2} activation in aqueous ammonia solutions, with an emphasis on the reaction barrier and molecularity, has been undertaken using the M06-2X functional with an augmented triple-zeta split-valence basis set (6-311++G(d,p)). Up to five base molecules were treated explicitly in order to establish the effects of solvent catalysis in the chemical capture process. Aqueous free energies of solvation were determined for optimized reactant and transition structures using SM8/M06-2X/6-311++G(d,p). The concept of the solvent pre-complex as presented by Dixon and coworkers (Nguyen, M. T.; Matus, M. H.; Jackson, V. E.; Ngan, V. T.; Rustad, J. R.;more » Dixon, D. A. J. Phys. Chem. A 2008, 112, 10386-10398) was exploited to account for the energetics of disruption of the hydrogen-bonding solvent nano-network prior to the CO{sub 2} activation step. Selected gas- and aqueous-phase thermodynamic quantities have also been derived.« less
From stable divalent to valence-fluctuating behaviour in Eu(Rh1-xIrx)2Si2 single crystals

NASA Astrophysics Data System (ADS)

Seiro, Silvia; Geibel, Christoph

2011-09-01

We have succeeded in growing high-quality single crystals of the valence-fluctuating system EuIr2Si2, the divalent Eu system EuRh2Si2 and the substitutional alloy Eu(Rh1-xIrx)2Si2 across the range 0 < x < 1, which we characterized by means of x-ray diffraction, energy-dispersive x-ray spectroscopy, specific heat, magnetization and resistivity measurements. On increasing x, the divalent Eu ground state subsists up to x = 0.25 with a slight increase in Néel temperature, while for 0.3≤x < 0.7 a sharp hysteretic change in susceptibility and resistivity marks the first-order valence transition. For x≳0.7 the broad feature observed in the physical properties is characteristic of the continuous valence evolution beyond the critical end point of the valence transition line, and the resistivity is reminiscent of Kondo-like behaviour while the Sommerfeld coefficient indicates a mass renormalization of at least a factor of 8. The resulting phase diagram is similar to those reported for polycrystalline Eu(Pd1-xAux)2Si2 and EuNi2(Si1-xGex)2, confirming its generic character for Eu systems, and markedly different to those of homologue Ce and Yb systems, which present a continuous suppression of the antiferromagnetism accompanied by a very smooth evolution of the valence. We discuss these differences and suggest them to be related to the large polarization energy of the Eu half-filled 4f shell. We further argue that the changes in the rare earth valence between RRh2Si2 and RIr2Si2 (R = Ce, Eu, Yb) are governed by a purely electronic effect and not by a volume effect.
The effects of valence and arousal on the neural activity leading to subsequent memory.

PubMed

Mickley Steinmetz, Katherine R; Kensinger, Elizabeth A

2009-11-01

This study examined how valence and arousal affect the processes linked to subsequent memory for emotional information. While undergoing an fMRI scan, participants viewed neutral pictures and emotional pictures varying by valence and arousal. After the scan, participants performed a recognition test. Subsequent memory for negative or high arousal information was associated with occipital and temporal activity, whereas memory for positive or low arousal information was associated with frontal activity. Regression analyses confirmed that for negative or high arousal items, temporal lobe activity was the strongest predictor of later memory whereas for positive or low arousal items, frontal activity corresponded most strongly with later memory. These results suggest that the types of encoding processes relating to memory (e.g., sensory vs. elaborative processing) can differ based on the affective qualities of emotional information.
The effects of valence and arousal on the neural activity leading to subsequent memory

PubMed Central

Mickley Steinmetz, Katherine R.; Kensinger, Elizabeth A.

2010-01-01

This study examined how valence and arousal affect the processes linked to subsequent memory for emotional information. While undergoing an fMRI scan, participants viewed neutral pictures and emotional pictures varying by valence and arousal. After the scan, participants performed a recognition test. Subsequent memory for negative or high arousal information was associated with occipital and temporal activity, while memory for positive or low arousal information was associated with frontal activity. Regression analyses confirmed that for negative or high arousal items, temporal lobe activity was the strongest predictor of later memory whereas for positive or low arousal items, frontal activity corresponded most strongly with later memory. These results suggest that the types of encoding processes relating to memory (e.g., sensory vs. elaborative processing) can differ based on the affective qualities of emotional information. PMID:19674398
Imaging of the outer valence orbitals of CO by electron momentum spectroscopy — Comparison with high level MRSD-CI and DFT calculations

NASA Astrophysics Data System (ADS)

Fan, X. W.; Chen, X. J.; Zhou, S. J.; Zheng, Y.; Brion, C. E.; Frey, R.; Davidson, E. R.

1997-09-01

A newly constructed energy dispersive multichannel electron momentum spectrometer has been used to image the electron density of the outer valence orbitals of CO with high precision. Binding energy spectra are obtained at a coincidence energy resolution of 1.2 eV fwhm. The measured electron density profiles in momentum space for the outer valence orbitals of CO are compared with cross sections calculated using SCF wavefunctions with basis sets of varying complexity up to near-Hartree-Fock limit in quality. The effects of correlation and electronic relaxation on the calculated momentum profiles are investigated using large MRSD-CI calculations of the full ion-neutral overlap distributions, as well as large basis set DFT calculations with local and non-local (gradient corrected) functionals.
Affective Evaluations of and Reactions to Exterior and Interior Vehicle Auditory Quality

NASA Astrophysics Data System (ADS)

Västfjäll, D.; Gulbol, M.-A.; Kleiner, M.; Gärling, T.

2002-08-01

Affective reactions to and evaluations of auditory stimuli are fundamental components of human perception. In three experiments, participants rated their affective reactions (how pleasant I feel) and preferences for these affective reactions (how much I like the way I feel) as well as affective evaluations (how pleasant the sound is) to interior and exterior binaurally recorded vehicle sounds varying in physical properties. Consistent with previous research, it was found that the orthogonal affect dimensions of valence (unpleasant-pleasant) and arousal or activation (deactivation-activation) discriminated between affective reactions induced by the different qualities of the sounds. Moreover, preference for affective reactions was related to both valence and activation. Affective evaluations (powerful-powerless/passive-active and unpleasant-pleasant) correlated significantly with affective reactions to the same sounds in both within-subjects and between-subjects designs. Standard sound quality metrics derived from the sounds correlated, however, poorly with the affective ratings of interior sounds and only moderately with affective ratings of exterior sounds. Taken together, the results suggest that affect is an important component in product auditory quality optimization.

zeta 1 and zeta 2 Reticuli and the existence of the zeta Herculis group

NASA Astrophysics Data System (ADS)

del Peloso, E. F.; da Silva, L.; Porto de Mello, G. F.

2000-06-01

We report the detailed analysis of the solar type stars zeta 1 and zeta 2 Reticuli. We obtained accurate effective temperatures (T_eff = 5746 +/- 27 K and 5859 +/- 27 K respectively) and surface gravities (log g = 4.54 +/- 0.02 and 4.46 +/- 0.01 respectively). Both stars are slightly metal deficient ([Fe/H] = -0.22 +/- 0.05) and their element abundance patterns are compatible with one another and with the Sun. The hypothesis, suggested by previous detailed analyses, that these stars could be helium rich relative to the Sun, was investigated. The stars were found to have a normal, solar helium abundance. We analysed the stars' membership of the zeta Herculis stellar kinematic group (SKG). Some probable members have nearly the same galactic orbital parameters, chemical composition and evolutionary states, which confirm the existence of a metal deficient SKG. Since we determined that zeta Herculis does not belong to this group, we propose it be renamed zeta Reticuli SKG. Based on observations collected at the European Southern Observatory, La Silla, Chile, and at the Observatório do Pico dos Dias, operated by the Laboratório Nacional de Astrofísica, CNPq, Brazil.
Estimation of zeta potential of electroosmotic flow in a microchannel using a reduced-order model.

PubMed

Park, H M; Hong, S M; Lee, J S

2007-10-01

A reduced-order model is derived for electroosmotic flow in a microchannel of nonuniform cross section using the Karhunen-Loève Galerkin (KLG) procedure. The resulting reduced-order model is shown to predict electroosmotic flows accurately with minimal consumption of computer time for a wide range of zeta potential zeta and dielectric constant epsilon. Using the reduced-order model, a practical method is devised to estimate zeta from the velocity measurements of the electroosmotic flow in the microchannel. The proposed method is found to estimate zeta with reasonable accuracy even with noisy velocity measurements.
Studying Drinking Water Quality and its Change During Transportation through Samara Water-Supply Facilities

NASA Astrophysics Data System (ADS)

Kichigin, V. I.; Egorova, Y. A.; Nesterenko, O. I.

2017-11-01

The paper investigates changes in water physico-chemical composition and its physical indicators through ζ-potential in residential buildings in eight administrative districts of Samara. The results are processed by the methods of mathematical statistics and presented at the 0.05 level of importance. The sampling points for water in the city districts were chosen with the aid of random numbers tables. It was determined that the quality of drinking water was stable and consistent with the existing standards in Zheleznodorozhniy, Samarskiy, Leninskiy, Octyabrskiy, Kirovsliy, Sovetskiy and Promyshlenniy districts of Samara. The following indicators were taken into account: pH, colour, turbidity, alkalinity, general rigidity, content of ions Ca2 +, Mg2 +. It was also established that drinking water in Kuibyshevskiy district (with all other excellent indicators) had increased mineralization due to the natural hydrological conditions of the water inlet. Some change in the size of zeta-potential of the water was detected during its transportation through the existing water-supplying networks of the city. It was shown that the link between zeta-potential and various kinds of contamination in drinking water is underexplored and requires further detailed study.
14-3-3 sigma and 14-3-3 zeta plays an opposite role in cell growth inhibition mediated by transforming growth factor-beta 1.

PubMed

Hong, Hye-Young; Jeon, Woo-Kwang; Bae, Eun-Jin; Kim, Shin-Tae; Lee, Ho-Jae; Kim, Seong-Jin; Kim, Byung-Chul

2010-03-01

The expression of 14-3-3 proteins is dysregulated in various types of cancer. This study was undertaken to investigate the effects of 14-3-3 zeta and 14-3-3 sigma on cell growth inhibition mediated by transforming growth factor-beta 1 (TGF-beta1). Mouse mammary epithelial cells (Eph4) that are transformed with oncogenic c-H-Ras (EpRas) and no longer sensitive to TGF-beta1-mediated growth inhibition displayed increased expression of 14-3-3 zeta and decreased expression of 14-3-3 sigma compared with parental Eph4 cells. Using small interfering RNA-mediated knockdown and overexpression of 14-3-3 sigma or 14-3-3 zeta, we showed that 14-3-3 sigma is required for TGF-beta1-mediated growth inhibition whereas 14-3-3 zeta negatively modulates this growth inhibitory response. Notably, overexpression of 14-3-3 zeta increased the level of Smad3 protein that is phosphorylated at linker regions and cannot mediate the TGF-beta1 growth inhibitory response. Consistent with this finding, mutation of the 14-3-3 zeta phosphorylation sites in Smad3 markedly reduced the 14-3-3 zeta-mediated inhibition of TGF-beta1-induced p15 promoter-reporter activity and cell cycle arrest, suggesting that these residues are critical targets of 14-3-3 zeta in the suppression of TGF-beta1-mediated growth. Taken together, our findings indicate that dysregulation of 14-3-3 sigma or 14-3-3 zeta contributes to TGF-beta1 resistance in cancer cells.
A revised MRCI-algorithm coupled to an effective valence-shell Hamiltonian. II. Application to the valence excitations of butadiene

NASA Astrophysics Data System (ADS)

Strodel, Paul; Tavan, Paul

2002-09-01

In Paper I of this work we have sketched an improved MRCI algorithm and its coupling to the effective valence-shell Hamiltonian OM2. To check the quality of the resulting OM2/MRCI approach, it is applied here to the excited valence states of all-trans butadiene. As is explained by a review of previous theoretical work, proper descriptions of these states posed severe problems within correlated ab initio treatments but seemed to be trivial within simple correlated pi-electron models. We now show that an extended MRCI treatment of the correlations among all valence electrons as described by OM2 closely reproduces the experimental evidence, placing the vertical 2 1Ag excitation by about 0.2 eV below the 1 1Bu excitation. By an analysis of sigma]-[pi interactions we explain the corresponding earlier success of correlated pi-electron theory. Exploiting the enhanced capabilities of the new approach we investigate the potential surfaces. Here, OM2/MRCI is shown to predict that the 2 1Ag state is energetically lowered about four times more strongly than the 1 1Bu state upon geometry relaxation constrained to the C2h symmetry. We conclude that OM2/MRCI should be well-suited for the study of excited state surfaces of organic dye molecules.
Grounding context in face processing: color, emotion, and gender

PubMed Central

Gil, Sandrine; Le Bigot, Ludovic

2015-01-01

In recent years, researchers have become interested in the way that the affective quality of contextual information transfers to a perceived target. We therefore examined the effect of a red (vs. green, mixed red/green, and achromatic) background – known to be valenced – on the processing of stimuli that play a key role in human interactions, namely facial expressions. We also examined whether the valenced-color effect can be modulated by gender, which is also known to be valenced. Female and male adult participants performed a categorization task of facial expressions of emotion in which the faces of female and male posers expressing two ambiguous emotions (i.e., neutral and surprise) were presented against the four different colored backgrounds. Additionally, this task was completed by collecting subjective ratings for each colored background in the form of five semantic differential scales corresponding to both discrete and dimensional perspectives of emotion. We found that the red background resulted in more negative face perception than the green background, whether the poser was female or male. However, whereas this valenced-color effect was the only effect for female posers, for male posers, the effect was modulated by both the nature of the ambiguous emotion and the decoder’s gender. Overall, our findings offer evidence that color and gender have a common valence-based dimension. PMID:25852625
Valence-band and core-level photoemission study of single-crystal Bi2CaSr2Cu2O8 superconductors

NASA Astrophysics Data System (ADS)

Shen, Z.-X.; Lindberg, P. A. P.; Wells, B. O.; Mitzi, D. B.; Lindau, I.; Spicer, W. E.; Kapitulnik, A.

1988-12-01

High-quality single crystals of Bi2CaSr2Cu2O8 superconductors have been prepared and cleaved in ultrahigh vacuum. Low-energy electron diffraction measurements show that the surface structure is consistent with the bulk crystal structure. Ultraviolet photoemission and x-ray photoemission experiments were performed on these well-characterized sample surfaces. The valence-band and the core-level spectra obtained from the single-crystal surfaces are in agreement with spectra recorded from polycrystalline samples, justifying earlier results from polycrystalline samples. Cu satellites are observed both in the valence band and Cu 2p core level, signaling the strong correlation among the Cu 3d electrons. The O 1s core-level data exhibit a sharp, single peak at 529-eV binding energy without any clear satellite structures.
Influence of surface conductivity on the apparent zeta potential of calcite.

PubMed

Li, Shuai; Leroy, Philippe; Heberling, Frank; Devau, Nicolas; Jougnot, Damien; Chiaberge, Christophe

2016-04-15

Zeta potential is a physicochemical parameter of particular importance in describing the surface electrical properties of charged porous media. However, the zeta potential of calcite is still poorly known because of the difficulty to interpret streaming potential experiments. The Helmholtz-Smoluchowski (HS) equation is widely used to estimate the apparent zeta potential from these experiments. However, this equation neglects the influence of surface conductivity on streaming potential. We present streaming potential and electrical conductivity measurements on a calcite powder in contact with an aqueous NaCl electrolyte. Our streaming potential model corrects the apparent zeta potential of calcite by accounting for the influence of surface conductivity and flow regime. We show that the HS equation seriously underestimates the zeta potential of calcite, particularly when the electrolyte is diluted (ionic strength ⩽ 0.01 M) because of calcite surface conductivity. The basic Stern model successfully predicted the corrected zeta potential by assuming that the zeta potential is located at the outer Helmholtz plane, i.e. without considering a stagnant diffuse layer at the calcite-water interface. The surface conductivity of calcite crystals was inferred from electrical conductivity measurements and computed using our basic Stern model. Surface conductivity was also successfully predicted by our surface complexation model. Copyright © 2016 Elsevier Inc. All rights reserved.
Quality of original and biosimilar epoetin products.

PubMed

Brinks, Vera; Hawe, Andrea; Basmeleh, Abdul H H; Joachin-Rodriguez, Liliana; Haselberg, Rob; Somsen, Govert W; Jiskoot, Wim; Schellekens, Huub

2011-02-01

To compare the quality of therapeutic erythropoietin (EPO) products, including two biosimilars, with respect to content, aggregation, isoform profile and potency. Two original products, Eprex (epoetin alpha) and Dynepo (epoetin delta), and two biosimilar products, Binocrit (epoetin alpha) and Retacrit (epoetin zeta), were compared using (1) high performance size exclusion chromatography, (2) ELISA, (3) SDS-PAGE, (4) capillary zone electrophoresis and (5) in-vivo potency. Tested EPO products differed in content, isoform composition, and potency. Of the tested products, the biosimilars have the same or even better quality as the originals. Especially, the potency of originals may significantly differ from the value on the label.
Estimation of the zeta potential and the dielectric constant using velocity measurements in the electroosmotic flows.

PubMed

Park, H M; Hong, S M

2006-12-15

In this paper we develop a method for the determination of the zeta potential zeta and the dielectric constant epsilon by exploiting velocity measurements of the electroosmotic flow in microchannels. The inverse problem is solved through the minimization of a performance function utilizing the conjugate gradient method. The present method is found to estimate zeta and epsilon with reasonable accuracy even with noisy velocity measurements.
Oscillatory electroosmotic flow in a parallel-plate microchannel under asymmetric zeta potentials

NASA Astrophysics Data System (ADS)

Peralta, M.; Arcos, J.; Méndez, F.; Bautista, O.

2017-06-01

In this work, we conduct a theoretical analysis of the start-up of an oscillatory electroosmotic flow (EOF) in a parallel-plate microchannel under asymmetric zeta potentials. It is found that the transient evolution of the flow field is controlled by the parameters {R}ω , {R}\\zeta , and \\bar{κ }, which represent the dimensionless frequency, the ratio of the zeta potentials of the microchannel walls, and the electrokinetic parameter, which is defined as the ratio of the microchannel height to the Debye length. The analysis is performed for both low and high zeta potentials; in the former case, an analytical solution is derived, whereas in the latter, a numerical solution is obtained. These solutions provide the fundamental characteristics of the oscillatory EOFs for which, with suitable adjustment of the zeta potential and the dimensionless frequency, the velocity profiles of the fluid flow exhibit symmetric or asymmetric shapes.
Line identifications in the ultraviolet spectra of Tau Herculis, B5 IV, and Zeta Draconis, B6 III

NASA Technical Reports Server (NTRS)

Underhill, A. B.; Adelman, S. J.

1976-01-01

Tables of the lines found on two tracings each of the ultraviolet spectrum of Tau Her, B5 IV, and Zeta Dra, B6 III, made by the Copernicus satellite and possible identifications are given. The ranges 1025-1451A for Tau Her and 1035 to 1425A for Zeta Dra are covered by the U2 spectrometer at a resolution of 0.2A; the ranges 2028 to 2959A for Tau Her and 2000 to 3000A for Zeta Dra are covered by the V2 spectrometer at a resolution of 0.4A. The observed density of lines in the U2 region is 1.1 lines/A for Tau Her and 1.7 lines/A for Zeta Dra. In the V2 region it is 0.8 lines/A for Tau Her and 0.9 lines/A for Zeta Dra.
DOE Office of Scientific and Technical Information (OSTI.GOV)

Khvorostukhin, A. S.; Joint Institute for Nuclear Research, 141980 Dubna; Institute of Applied Physics, Moldova Academy of Science, MD-2028 Kishineu

Shear {eta} and bulk {zeta} viscosities are calculated in a quasiparticle model within a relaxation-time approximation for pure gluon matter. Below T{sub c}, the confined sector is described within a quasiparticle glueball model. The constructed equation of state reproduces the first-order phase transition for the glue matter. It is shown that with this equation of state, it is possible to describe the temperature dependence of the shear viscosity to entropy ratio {eta}/s and the bulk viscosity to entropy ratio {zeta}/s in reasonable agreement with available lattice data, but absolute values of the {zeta}/s ratio underestimate the upper limits of thismore » ratio in the lattice measurements typically by an order of magnitude.« less
In vitro phosphorylation of insulin receptor substrate 1 by protein kinase C-zeta: functional analysis and identification of novel phosphorylation sites.

PubMed

Sommerfeld, Mark R; Metzger, Sabine; Stosik, Magdalene; Tennagels, Norbert; Eckel, Jürgen

2004-05-18

Protein kinase C-zeta (PKC-zeta) participates both in downstream insulin signaling and in the negative feedback control of insulin action. Here we used an in vitro approach to identify PKC-zeta phosphorylation sites within insulin receptor substrate 1 (IRS-1) and to characterize the functional implications. A recombinant IRS-1 fragment (rIRS-1(449)(-)(664)) containing major tyrosine motifs for interaction with phosphatidylinositol (PI) 3-kinase strongly associated to the p85alpha subunit of PI 3-kinase after Tyr phosphorylation by the insulin receptor. Phosphorylation of rIRS-1(449)(-)(664) by PKC-zeta induced a prominent inhibition of this process with a mixture of classical PKC isoforms being less effective. Both PKC-zeta and the classical isoforms phosphorylated rIRS-1(449)(-)(664) on Ser(612). However, modification of this residue did not reduce the affinity of p85alpha binding to pTyr-containing peptides (amino acids 605-615 of rat IRS-1), as determined by surface plasmon resonance. rIRS-1(449)(-)(664) was then phosphorylated by PKC-zeta using [(32)P]ATP and subjected to tryptic phosphopeptide mapping based on two-dimensional HPLC coupled to mass spectrometry. Ser(498) and Ser(570) were identified as novel phosphoserine sites targeted by PKC-zeta. Both sites were additionally confirmed by phosphopeptide mapping of the corresponding Ser --> Ala mutants of rIRS-1(449)(-)(664). Ser(570) was specifically targeted by PKC-zeta, as shown by immunoblotting with a phosphospecific antiserum against Ser(570) of IRS-1. Binding of p85alpha to the S570A mutant was less susceptible to inhibition by PKC-zeta, when compared to the S612A mutant. In conclusion, our in vitro data demonstrate a strong inhibitory action of PKC-zeta at the level of IRS-1/PI 3-kinase interaction involving multiple serine phosphorylation sites. Whereas Ser(612) appears not to participate in the negative control of insulin signaling, Ser(570) may at least partly contribute to this process.
A Comparative Study of Serum Exosome Isolation Using Differential Ultracentrifugation and Three Commercial Reagents.

PubMed

Helwa, Inas; Cai, Jingwen; Drewry, Michelle D; Zimmerman, Arthur; Dinkins, Michael B; Khaled, Mariam Lotfy; Seremwe, Mutsa; Dismuke, W Michael; Bieberich, Erhard; Stamer, W Daniel; Hamrick, Mark W; Liu, Yutao

2017-01-01

Exosomes play a role in cell-to-cell signaling and serve as possible biomarkers. Isolating exosomes with reliable quality and substantial concentration is a major challenge. Our purpose is to compare the exosomes extracted by three different exosome isolation kits (miRCURY, ExoQuick, and Invitrogen Total Exosome Isolation Reagent) and differential ultracentrifugation (UC) using six different volumes of a non-cancerous human serum (5 ml, 1 ml, 500 μl, 250 μl, 100 μl, and 50 μl) and three different volumes (1 ml, 500 μl and 100 μl) of six individual commercial serum samples collected from human donors. The smaller starting volumes (100 μl and 50 μl) are used to mimic conditions of limited availability of heterogeneous biological samples. The isolated exosomes were characterized based upon size, quantity, zeta potential, CD63 and CD9 protein expression, and exosomal RNA (exRNA) quality and quantity using several complementary methods: nanoparticle tracking analysis (NTA) with ZetaView, western blot, transmission electron microscopy (TEM), the Agilent Bioanalyzer system, and droplet digital PCR (ddPCR). Our NTA results showed that all isolation techniques produced exosomes within the expected size range (40-150 nm). The three kits, though, produced a significantly higher yield (80-300 fold) of exosomes as compared to UC for all serum volumes, except 5 mL. We also found that exosomes isolated by the different techniques and serum volumes had similar zeta potentials to previous studies. Western blot analysis and TEM immunogold labelling confirmed the expression of two common exosomal protein markers, CD63 and CD9, in samples isolated by all techniques. All exosome isolations yielded high quality exRNA, containing mostly small RNA with a peak between 25 and 200 nucleotides in size. ddPCR results indicated that exosomes isolated from similar serum volumes but different isolation techniques rendered similar concentrations of two selected exRNA: hsa-miR-16 and hsa-miR-451. In summary, the three commercial exosome isolation kits are viable alternatives to UC, even when limited amounts of biological samples are available.
Correlation consistent basis sets for actinides. II. The atoms Ac and Np-Lr

NASA Astrophysics Data System (ADS)

Feng, Rulin; Peterson, Kirk A.

2017-08-01

New correlation consistent basis sets optimized using the all-electron third-order Douglas-Kroll-Hess (DKH3) scalar relativistic Hamiltonian are reported for the actinide elements Ac and Np through Lr. These complete the series of sets reported previously for Th-U [K. A. Peterson, J. Chem. Phys. 142, 074105 (2015); M. Vasiliu et al., J. Phys. Chem. A 119, 11422 (2015)]. The new sets range in size from double- to quadruple-zeta and encompass both those optimized for valence (6s6p5f7s6d) and outer-core electron correlations (valence + 5s5p5d). The final sets have been contracted for both the DKH3 and eXact 2-component (X2C) Hamiltonians, yielding cc-pVnZ-DK3/cc-pVnZ-X2C sets for valence correlation and cc-pwCVnZ-DK3/cc-pwCVnZ-X2C sets for outer-core correlation (n = D, T, Q in each case). In order to test the effectiveness of the new basis sets, both atomic and molecular benchmark calculations have been carried out. In the first case, the first three atomic ionization potentials (IPs) of all the actinide elements Ac-Lr have been calculated using the Feller-Peterson-Dixon (FPD) composite approach, primarily with the multireference configuration interaction (MRCI) method. Excellent convergence towards the respective complete basis set (CBS) limits is achieved with the new sets, leading to good agreement with experiment, where these exist, after accurately accounting for spin-orbit effects using the 4-component Dirac-Hartree-Fock method. For a molecular test, the IP and atomization energy (AE) of PuO2 have been calculated also using the FPD method but using a coupled cluster approach with spin-orbit coupling accounted for using the 4-component MRCI. The present calculations yield an IP0 for PuO2 of 159.8 kcal/mol, which is in excellent agreement with the experimental electron transfer bracketing value of 162 ± 3 kcal/mol. Likewise, the calculated 0 K AE of 305.6 kcal/mol is in very good agreement with the currently accepted experimental value of 303.1 ± 5 kcal/mol. The ground state of PuO2 is predicted to be the 0 g +5Σ state.
Correlation consistent basis sets for actinides. II. The atoms Ac and Np-Lr.

PubMed

Feng, Rulin; Peterson, Kirk A

2017-08-28

New correlation consistent basis sets optimized using the all-electron third-order Douglas-Kroll-Hess (DKH3) scalar relativistic Hamiltonian are reported for the actinide elements Ac and Np through Lr. These complete the series of sets reported previously for Th-U [K. A. Peterson, J. Chem. Phys. 142, 074105 (2015); M. Vasiliu et al., J. Phys. Chem. A 119, 11422 (2015)]. The new sets range in size from double- to quadruple-zeta and encompass both those optimized for valence (6s6p5f7s6d) and outer-core electron correlations (valence + 5s5p5d). The final sets have been contracted for both the DKH3 and eXact 2-component (X2C) Hamiltonians, yielding cc-pVnZ-DK3/cc-pVnZ-X2C sets for valence correlation and cc-pwCVnZ-DK3/cc-pwCVnZ-X2C sets for outer-core correlation (n = D, T, Q in each case). In order to test the effectiveness of the new basis sets, both atomic and molecular benchmark calculations have been carried out. In the first case, the first three atomic ionization potentials (IPs) of all the actinide elements Ac-Lr have been calculated using the Feller-Peterson-Dixon (FPD) composite approach, primarily with the multireference configuration interaction (MRCI) method. Excellent convergence towards the respective complete basis set (CBS) limits is achieved with the new sets, leading to good agreement with experiment, where these exist, after accurately accounting for spin-orbit effects using the 4-component Dirac-Hartree-Fock method. For a molecular test, the IP and atomization energy (AE) of PuO 2 have been calculated also using the FPD method but using a coupled cluster approach with spin-orbit coupling accounted for using the 4-component MRCI. The present calculations yield an IP 0 for PuO 2 of 159.8 kcal/mol, which is in excellent agreement with the experimental electron transfer bracketing value of 162 ± 3 kcal/mol. Likewise, the calculated 0 K AE of 305.6 kcal/mol is in very good agreement with the currently accepted experimental value of 303.1 ± 5 kcal/mol. The ground state of PuO 2 is predicted to be the Σ0g+5 state.
Pair natural orbital and canonical coupled cluster reaction enthalpies involving light to heavy alkali and alkaline earth metals: the importance of sub-valence correlation.

PubMed

Minenkov, Yury; Bistoni, Giovanni; Riplinger, Christoph; Auer, Alexander A; Neese, Frank; Cavallo, Luigi

2017-04-05

In this work, we tested canonical and domain based pair natural orbital coupled cluster methods (CCSD(T) and DLPNO-CCSD(T), respectively) for a set of 32 ligand exchange and association/dissociation reaction enthalpies involving ionic complexes of Li, Be, Na, Mg, Ca, Sr, Ba and Pb(ii). Two strategies were investigated: in the former, only valence electrons were included in the correlation treatment, giving rise to the computationally very efficient FC (frozen core) approach; in the latter, all non-ECP electrons were included in the correlation treatment, giving rise to the AE (all electron) approach. Apart from reactions involving Li and Be, the FC approach resulted in non-homogeneous performance. The FC approach leads to very small errors (<2 kcal mol -1 ) for some reactions of Na, Mg, Ca, Sr, Ba and Pb, while for a few reactions of Ca and Ba deviations up to 40 kcal mol -1 have been obtained. Large errors are both due to artificial mixing of the core (sub-valence) orbitals of metals and the valence orbitals of oxygen and halogens in the molecular orbitals treated as core, and due to neglecting core-core and core-valence correlation effects. These large errors are reduced to a few kcal mol -1 if the AE approach is used or the sub-valence orbitals of metals are included in the correlation treatment. On the technical side, the CCSD(T) and DLPNO-CCSD(T) results differ by a fraction of kcal mol -1 , indicating the latter method as the perfect choice when the CPU efficiency is essential. For completely black-box applications, as requested in catalysis or thermochemical calculations, we recommend the DLPNO-CCSD(T) method with all electrons that are not covered by effective core potentials included in the correlation treatment and correlation-consistent polarized core valence basis sets of cc-pwCVQZ(-PP) quality.
A novel mechanism of programmed cell death in bacteria by toxin-antitoxin systems corrupts peptidoglycan synthesis.

PubMed

Mutschler, Hannes; Gebhardt, Maike; Shoeman, Robert L; Meinhart, Anton

2011-03-01

Most genomes of bacteria contain toxin-antitoxin (TA) systems. These gene systems encode a toxic protein and its cognate antitoxin. Upon antitoxin degradation, the toxin induces cell stasis or death. TA systems have been linked with numerous functions, including growth modulation, genome maintenance, and stress response. Members of the epsilon/zeta TA family are found throughout the genomes of pathogenic bacteria and were shown not only to stabilize resistance plasmids but also to promote virulence. The broad distribution of epsilon/zeta systems implies that zeta toxins utilize a ubiquitous bacteriotoxic mechanism. However, whereas all other TA families known to date poison macromolecules involved in translation or replication, the target of zeta toxins remained inscrutable. We used in vivo techniques such as microscropy and permeability assays to show that pneumococcal zeta toxin PezT impairs cell wall synthesis and triggers autolysis in Escherichia coli. Subsequently, we demonstrated in vitro that zeta toxins in general phosphorylate the ubiquitous peptidoglycan precursor uridine diphosphate-N-acetylglucosamine (UNAG) and that this activity is counteracted by binding of antitoxin. After identification of the product we verified the kinase activity in vivo by analyzing metabolite extracts of cells poisoned by PezT using high pressure liquid chromatograpy (HPLC). We further show that phosphorylated UNAG inhibitis MurA, the enzyme catalyzing the initial step in bacterial peptidoglycan biosynthesis. Additionally, we provide what is to our knowledge the first crystal structure of a zeta toxin bound to its substrate. We show that zeta toxins are novel kinases that poison bacteria through global inhibition of peptidoglycan synthesis. This provides a fundamental understanding of how epsilon/zeta TA systems stabilize mobile genetic elements. Additionally, our results imply a mechanism that connects activity of zeta toxin PezT to virulence of pneumococcal infections. Finally, we discuss how phosphorylated UNAG likely poisons additional pathways of bacterial cell wall synthesis, making it an attractive lead compound for development of new antibiotics.
Quantitative amd Qualitative Sources of Affect: How Unexpectedness and Valence Relate to Pleasantness and Preference. Technical Report No. 293.

ERIC Educational Resources Information Center

Iran-Nejad, Asghar; Ortony, Andrew

Optimal-level theories maintain that the quality of affect is a function of a quantitative arousal potential dimension. An alternative view is that the quantitative dimension merely modulates preexisting qualitative properties and is therefore only responsible for changes in the degree of affect. Thus, the quality of affect, whether it is positive…

A model of the general ocean circulation determined from a joint solution for the Earth's gravity field

NASA Technical Reports Server (NTRS)

Nerem, R. S.; Tapley, B. D.; Shum, C. K.; Yuan, D. N.

1989-01-01

If the geoid and the satellite position are known accurately, satellite altimetry can be used to determine the geostrophic velocity of the surface ocean currents. The purpose of this investigation is to simultaneously estimate the sea surface topography, zeta, the model for the gravity field, and the satellite orbit. Satellite tracking data from fourteen satellites were used; along with Seasat and Geosat altimeter data as well as surface gravity data for the solution. The estimated model of zeta compares well at long wavelengths with the hydrographic model of zeta. Covariance studies show that the geoid is separable from zeta up to degree 9, at which point geoid error becomes comparable to the signal of zeta.
Zeta Ophiuchi -- Runaway Star Plowing through Space Dust

NASA Image and Video Library

2011-01-24

The blue star near the center of this image is Zeta Ophiuchi. Zeta Ophiuchi is actually a very massive, hot, bright blue star plowing its way through a large cloud of interstellar dust and gas in this image from NASA Wide-field Infrared Survey Explorer.
Implementation of the Baldwin-Barth turbulence model into the ZETA code and its diagnosis. M.S. Thesis

NASA Technical Reports Server (NTRS)

Low, Scott L.

1993-01-01

The Baldwin-Barth turbulence model was implemented into Zeta, a time-accurate, zonal, integro-differential code for incompressible laminar and turbulent flows. The implementation procedure is patterned after the model subroutine in ARC2D. The results of ZETA with the Baldwin-Barth turbulence model were compared with experimental data, with ZETA using Baldwin-Lomax model, and with ARC2D using the Baldwin-Barth model. The Baldwin-Barth model subroutine was tested by inputting an ARC2D velocity solution of an NACA-0012 airfoil at R(sub e) = 3.9 x 10(exp 6) and alpha = 5 deg. The resultant turbulent viscosity and Reynolds stresses compared favorably with the original data. For the same grid having grid points inside the laminar sublayer, which is necessary due to the one-equation nature of the model, ZETA however predicts early separation. It was found that the current ZETA has problem with such a fine grid. Further work is in progress to solve this problem.
A gene variation of 14-3-3 zeta isoform in rat hippocampus.

PubMed

Murakami, K; Situ, S Y; Eshete, F

1996-11-14

A variant form of 14-3-3 zeta was isolated from the rat hippocampal cDNA library. The cloned cDNA is 1687 bp in length and it contains an entire ORF (nt = 63-797) with 245 amino acids that is characteristic to 14-3-3 zeta subtype. By comparing with reported sequences of 14-3-3 zeta, we found three nucleotide substitutions within the coding sequence in our clone; C<-->T transition at nt = 325 and G<-->C transversions at nt = 387 and 388. Both are missense mutations, leading ACG (Thr) to ATG (Met) and CGT (Arg) to GCT (Ala) conversions at residue 88 and 109, respectively. Our results show that at least three different genetic variants of 14-3-3 zeta are present in rat species which results in protein variations. Such mutation in the amino acid sequence is an important indication of the diverse functions of this protein and may also contribute to the recent contradictory observations regarding the role of the 14-3-3 zeta subtype.
A functional role for CD28 costimulation in tumor recognition by single-chain receptor-modified T cells.

PubMed

Moeller, Maria; Haynes, Nicole M; Trapani, Joseph A; Teng, Michele W L; Jackson, Jacob T; Tanner, Jane E; Cerutti, Loretta; Jane, Stephen M; Kershaw, Michael H; Smyth, Mark J; Darcy, Phillip K

2004-05-01

T cells engineered to express single-chain antibody receptors that incorporate TCR-zeta and cluster designation (CD)28 signaling domains (scFv-alpha-erbB2-CD28-zeta) can be redirected in vivo to cancer cells that lack triggering costimulatory molecules. To assess the contribution of CD28 signaling to the function of the scFv-CD28-zeta receptor, we expressed a series of mutated scFv-CD28-zeta receptors directed against erbB2. Residues known to be critical for CD28 signaling were mutated from tyrosine to phenylalanine at position 170 or proline to alanine at positions 187 and 190. Primary mouse T cells expressing either of the mutant receptors demonstrated impaired cytokine (IFN-gamma and GM-CSF) production and decreased proliferation after antigen ligation in vitro and decreased antitumor efficacy in vivo compared with T cells expressing the wild-type scFv-CD28-zeta receptor, suggesting a key signaling role for the CD28 component of the scFv-CD28-zeta receptor. Importantly, cell surface expression, binding capacity and cytolytic activity mediated by the scFv-CD28-zeta receptor were not diminished by either mutation. Overall, this study has definitively demonstrated a functional role for the CD28 component of the scFv-CD28-zeta receptor and has shown that incorporation of costimulatory activity in chimeric scFv receptors is a powerful approach for improving adoptive cancer immunotherapy.
DFT simulations and vibrational spectra of 2-amino-2-methyl-1,3-propanediol

NASA Astrophysics Data System (ADS)

Renuga Devi, T. S.; Sharmi kumar, J.; Ramkumaar, G. R.

2014-12-01

The FTIR and FT-Raman spectra of 2-amino-2-methyl-1,3-propanediol were recorded in the regions 4000-400 cm-1 and 4000-50 cm-1 respectively. The structural and spectroscopic data of the molecule in the ground state were calculated using Hartee-Fock and density functional method (B3LYP) with the augmented-correlation consistent-polarized valence double zeta (aug-cc-pVDZ) basis set. The most stable conformer was optimized and the structural and vibrational parameters were determined based on this. The complete assignments were performed on the basis of the Potential Energy Distribution (PED) of the vibrational modes, calculated using Vibrational Energy Distribution Analysis (VEDA) 4 program. With the observed FTIR and FT-Raman data, a complete vibrational assignment and analysis of the fundamental modes of the compound were carried out. Thermodynamic properties and Mulliken charges were calculated using both Hartee-Fock and density functional method using the aug-cc-pVDZ basis set and compared. The calculated HOMO-LUMO energy gap revealed that charge transfer occurs within the molecule. 1H and 13C NMR chemical shifts of the molecule were calculated using Gauge-Independent Atomic Orbital (GIAO) method and were compared with experimental results.
Collisional rates based on the first potential energy surface of the NeH+ -He system

NASA Astrophysics Data System (ADS)

Bop, Cheikh T.; Hammami, K.; Faye, N. A. B.

2017-09-01

The potential energy surface is computed at the explicitly correlated coupled cluster with simple, second and perturbative triple excitation method (CCSD(T)-F12) in connection with the augmented-correlation consistent-polarized valence triple zeta (aug-cc-pVTZ) Gaussian basis set for the NeH+ -He system. The calculations were performed by first taking into account the vibration of the molecule and then averaging the so-obtained three-dimensional potential. From this average interaction potential, cross-sections among the 11 first rotational levels of NeH+ induced by collision with He are calculated for energies up to 4000 cm-1 using the quantum mechanical close coupling (CC) approach. Collisional rate coefficients are obtained by thermally averaging these cross-sections at low temperature (T ≤ 300 K). The propensity rules of the rotational transitions obtained in this paper are discussed and compared with those of HeH+ and ArH+ in collision with electron. This work may be helpful for the eventual investigations, both theoretical and experimental, focused to detect the key cationic noble gas hydride NeH+ in the interstellar and circumstellar media as well as in laboratory experiments.
Ultra-small Ag clusters in zeolite A4: Antibacterial and thermochromic applications

NASA Astrophysics Data System (ADS)

Horta-Fraijo, P.; Cortez-Valadez, M.; Flores-Lopez, N. S.; Britto Hurtado, R.; Vargas-Ortiz, R. A.; Perez-Rodriguez, A.; Flores-Acosta, M.

2018-03-01

The physical and chemical properties of metal clusters depend on their atomic structure, therefore, it is important to determine the lowest-energy structures of the clusters in order to understand and utilize their properties. In this work, we use the Density Functional Theory (DFT) at the generalized gradient approximation level Becke's three-parameter and the gradient corrected functional of Lee, Yang and Puar (B3LYP) in combination with the basis set LANL2DZ (the effective core potentials and associated double-zeta valence) to determine some of the structural, electronic and vibrational properties of the planar silver clusters (Agn clusters n = 2-24). Additionally, the study reports the experimental synthesis of small silver clusters in synthetic zeolite A4. The synthesis was possible using the ion exchange method with some precursors like silver nitrate (AgNO3) and synthetic zeolite A4. The silver clusters in zeolite powder underwent thermal treatment at 450 °C to release the remaining water or humidity on it. The morphology of the particles was determined by Transmission Electron microscopy. The nanomaterials obtained show thermochromic properties. The structural parameters were correlated theoretically and experimentally.
Gas-Phase Reaction Pathways and Rate Coefficients for the Dichlorosilane-Hydrogen and Trichlorosilane-Hydrogen Systems

NASA Technical Reports Server (NTRS)

Dateo, Christopher E.; Walch, Stephen P.

2002-01-01

As part of NASA Ames Research Center's Integrated Process Team on Device/Process Modeling and Nanotechnology our goal is to create/contribute to a gas-phase chemical database for use in modeling microelectronics devices. In particular, we use ab initio methods to determine chemical reaction pathways and to evaluate reaction rate coefficients. Our initial studies concern reactions involved in the dichlorosilane-hydrogen (SiCl2H2--H2) and trichlorosilane-hydrogen (SiCl2H-H2) systems. Reactant, saddle point (transition state), and product geometries and their vibrational harmonic frequencies are determined using the complete-active-space self-consistent-field (CASSCF) electronic structure method with the correlation consistent polarized valence double-zeta basis set (cc-pVDZ). Reaction pathways are constructed by following the imaginary frequency mode of the saddle point to both the reactant and product. Accurate energetics are determined using the singles and doubles coupled-cluster method that includes a perturbational estimate of the effects of connected triple excitations (CCSD(T)) extrapolated to the complete basis set limit. Using the data from the electronic structure calculations, reaction rate coefficients are obtained using conventional and variational transition state and RRKM theories.
Zeta potential control for electrophoresis cells

NASA Technical Reports Server (NTRS)

Fogal, G. L.

1973-01-01

Zeta potential arises from fact that ions tend to be adsorbed on surface of cell walls. This potential interfaces with electric field sensed by migrating particles and degrades resolution of separation. By regulating sign and magnitude of applied potential induced charge can be used to increase or decrease effective wall zeta potential.
A Schrödinger equation for solving the Bender-Brody-Müller conjecture

NASA Astrophysics Data System (ADS)

Moxley, Frederick Ira

2017-11-01

The Hamiltonian of a quantum mechanical system has an affiliated spectrum. If this spectrum is the sequence of prime numbers, a connection between quantum mechanics and the nontrivial zeros of the Riemann zeta function can be made. In this case, the Riemann zeta function is analogous to chaotic quantum systems, as the harmonic oscillator is for integrable quantum systems. Such quantum Riemann zeta function analogies have led to the Bender-Brody-Müller (BBM) conjecture, which involves a non-Hermitian Hamiltonian that maps to the zeros of the Riemann zeta function. If the BBM Hamiltonian can be shown to be Hermitian, then the Riemann Hypothesis follows. As such, herein we perform a symmetrization procedure of the BBM Hamiltonian to obtain a unique Hermitian Hamiltonian that maps to the zeros of the analytic continuation of the Riemann zeta function, and discuss the eigenvalues of the results. Moreover, a second quantization of the resulting Schrödinger equation is performed, and a convergent solution for the nontrivial zeros of the analytic continuation of the Riemann zeta function is obtained. Finally, the Hilbert-Pólya conjecture is discussed, and it is heuristically shown that the real part of every nontrivial zero of the Riemann zeta function converges at σ = 1/2.
Computer Optimization of Biodegradable Nanoparticles Fabricated by Dispersion Polymerization.

PubMed

Akala, Emmanuel O; Adesina, Simeon; Ogunwuyi, Oluwaseun

2015-12-22

Quality by design (QbD) in the pharmaceutical industry involves designing and developing drug formulations and manufacturing processes which ensure predefined drug product specifications. QbD helps to understand how process and formulation variables affect product characteristics and subsequent optimization of these variables vis-à-vis final specifications. Statistical design of experiments (DoE) identifies important parameters in a pharmaceutical dosage form design followed by optimizing the parameters with respect to certain specifications. DoE establishes in mathematical form the relationships between critical process parameters together with critical material attributes and critical quality attributes. We focused on the fabrication of biodegradable nanoparticles by dispersion polymerization. Aided by a statistical software, d-optimal mixture design was used to vary the components (crosslinker, initiator, stabilizer, and macromonomers) to obtain twenty nanoparticle formulations (PLLA-based nanoparticles) and thirty formulations (poly-ɛ-caprolactone-based nanoparticles). Scheffe polynomial models were generated to predict particle size (nm), zeta potential, and yield (%) as functions of the composition of the formulations. Simultaneous optimizations were carried out on the response variables. Solutions were returned from simultaneous optimization of the response variables for component combinations to (1) minimize nanoparticle size; (2) maximize the surface negative zeta potential; and (3) maximize percent yield to make the nanoparticle fabrication an economic proposition.
Wafer-scale growth of VO2 thin films using a combinatorial approach

PubMed Central

Zhang, Hai-Tian; Zhang, Lei; Mukherjee, Debangshu; Zheng, Yuan-Xia; Haislmaier, Ryan C.; Alem, Nasim; Engel-Herbert, Roman

2015-01-01

Transition metal oxides offer functional properties beyond conventional semiconductors. Bridging the gap between the fundamental research frontier in oxide electronics and their realization in commercial devices demands a wafer-scale growth approach for high-quality transition metal oxide thin films. Such a method requires excellent control over the transition metal valence state to avoid performance deterioration, which has been proved challenging. Here we present a scalable growth approach that enables a precise valence state control. By creating an oxygen activity gradient across the wafer, a continuous valence state library is established to directly identify the optimal growth condition. Single-crystalline VO2 thin films have been grown on wafer scale, exhibiting more than four orders of magnitude change in resistivity across the metal-to-insulator transition. It is demonstrated that ‘electronic grade' transition metal oxide films can be realized on a large scale using a combinatorial growth approach, which can be extended to other multivalent oxide systems. PMID:26450653
The role of ZAP70 kinase in acute lymphoblastic leukemia infiltration into the central nervous system.

PubMed

Alsadeq, Ameera; Fedders, Henning; Vokuhl, Christian; Belau, Nele M; Zimmermann, Martin; Wirbelauer, Tim; Spielberg, Steffi; Vossen-Gajcy, Michaela; Cario, Gunnar; Schrappe, Martin; Schewe, Denis M

2017-02-01

Central nervous system infiltration and relapse are poorly understood in childhood acute lymphoblastic leukemia. We examined the role of zeta-chain-associated protein kinase 70 in preclinical models of central nervous system leukemia and performed correlative studies in patients. Zeta-chain-associated protein kinase 70 expression in acute lymphoblastic leukemia cells was modulated using short hairpin ribonucleic acid-mediated knockdown or ectopic expression. We show that zeta-chain-associated protein kinase 70 regulates CCR7/CXCR4 via activation of extracellular signal-regulated kinases. High expression of zeta-chain-associated protein kinase 70 in acute lymphoblastic leukemia cells resulted in a higher proportion of central nervous system leukemia in xenografts as compared to zeta-chain-associated protein kinase 70 low expressing counterparts. High zeta-chain-associated protein kinase 70 also enhanced the migration potential towards CCL19/CXCL12 gradients in vitro CCR7 blockade almost abrogated homing of acute lymphoblastic leukemia cells to the central nervous system in xenografts. In 130 B-cell precursor acute lymphoblastic leukemia and 117 T-cell acute lymphoblastic leukemia patients, zeta-chain-associated protein kinase 70 and CCR7/CXCR4 expression levels were significantly correlated. Zeta-chain-associated protein kinase 70 expression correlated with central nervous system disease in B-cell precursor acute lymphoblastic leukemia, and CCR7/CXCR4 correlated with central nervous system involvement in T-cell acute lymphoblastic leukemia patients. In multivariate analysis, zeta-chain-associated protein kinase 70 expression levels in the upper third and fourth quartiles were associated with central nervous system involvement in B-cell precursor acute lymphoblastic leukemia (odds ratio=7.48, 95% confidence interval, 2.06-27.17; odds ratio=6.86, 95% confidence interval, 1.86-25.26, respectively). CCR7 expression in the upper fourth quartile correlated with central nervous system positivity in T-cell acute lymphoblastic leukemia (odds ratio=11.00, 95% confidence interval, 2.00-60.62). We propose zeta-chain-associated protein kinase 70, CCR7 and CXCR4 as markers of central nervous system infiltration in acute lymphoblastic leukemia warranting prospective investigation. Copyright© Ferrata Storti Foundation.
Nonunitary and unitary approach to Eigenvalue problem of Boson operators and squeezed coherent states

NASA Technical Reports Server (NTRS)

Wunsche, A.

1993-01-01

The eigenvalue problem of the operator a + zeta(boson creation operator) is solved for arbitrarily complex zeta by applying a nonunitary operator to the vacuum state. This nonunitary approach is compared with the unitary approach leading for the absolute value of zeta less than 1 to squeezed coherent states.
An induced current method for measuring zeta potential of electrolyte solution-air interface.

PubMed

Song, Yongxin; Zhao, Kai; Wang, Junsheng; Wu, Xudong; Pan, Xinxiang; Sun, Yeqing; Li, Dongqing

2014-02-15

This paper reports a novel and very simple method for measuring the zeta potential of electrolyte solution-air interface. When a measuring electrode contacts the electrolyte solution-air interface, an electrical current will be generated due to the potential difference between the electrode-air surface and the electrolyte solution-air interface. The amplitude of the measured electric signal is linearly proportional to this potential difference; and depends only on the zeta potential at the electrolyte solution-air interface, regardless of the types and concentrations of the electrolyte. A correlation between the zeta potential and the measured voltage signal is obtained based on the experimental data. Using this equation, the zeta potential of any electrolyte solution-air interface can be evaluated quickly and easily by inserting an electrode through the electrolyte solution-air interface and measuring the electrical signal amplitude. This method was verified by comparing the obtained results of NaCl, MgCl2 and CaCl2 solutions of different pH values and concentrations with the zeta potential data reported in the published journal papers. Copyright © 2013 Elsevier Inc. All rights reserved.
Observations of H II regions around Zeta OPH and other O-B stars

NASA Astrophysics Data System (ADS)

Shestakova, L. I.; Kutirev, A. S.; Ataev, A. Sh.

1988-01-01

A Fabry-Perot spectrometer was used to measure the emission intensities in H-beta near Zeta Oph, Alpha Vir, Alpha Cam, and HD 188209. The spectrometer sensitivity is 0.2 rayleighs, the intensity measurement accuracy is 20 percent. Ionization zone boundaries are determined for Zeta Oph and Alpha Vir; the angular diameters of both regions are about 15 deg. The contour of the H II region near Zeta Oph on the level of the double background in the southwest does not close; instead, it expands again and incorporates the region associated with the B-association II Sco.
EFFECT OF AQUEOUS PHASE PROPERTIES ON CLAY PARTICLE ZETA POTENTIAL AND ELECTRO-OSMOTIC PERMEABILITY: IMPLICATIONS FOR ELECTRO-KINETIC SOIL REMEDIATION PROCESSES

EPA Science Inventory

The influence of aqueous phase properties (pH, ionic strength and divalent metal ion concentration) on clay particle zeta potential and packed-bed electro-osmotic permeability was quantified. Although pH strongly altered the zeta potential of a Georgia kaolinite, it did not signi...
Benchmark calculations with correlated molecular wavefunctions. XIII. Potential energy curves for He2, Ne2 and Ar2 using correlation consistent basis sets through augmented sextuple zeta

NASA Astrophysics Data System (ADS)

van Mourik, Tanja

1999-02-01

The potential energy curves of the rare gas dimers He2, Ne2, and Ar2 have been computed using correlation consistent basis sets ranging from singly augmented aug-cc-pVDZ sets through triply augmented t-aug-cc-pV6Z sets, with the augmented sextuple basis sets being reported herein. Several methods for including electron correlation were investigated, namely Moller-Plesset perturbation theory (MP2, MP3 and MP4) and coupled cluster theory [CCSD and CCSD(T)]. For He2CCSD(T)/d-aug-cc-pV6Z calculations yield a well depth of 7.35cm-1 (10.58K), with an estimated complete basis set (CBS) limit of 7.40cm-1 (10.65K). The latter is smaller than the 'exact' well depth (Aziz, R. A., Janzen, A. R., and Moldover, M. R., 1995, Phys. Rev. Lett., 74, 1586) by about 0.2cm-1 (0.35K). The Ne well depth, computed with the CCSD(T)/d-aug-cc-pV6Z method, is 28.31cm-1 and the estimated CBS limit is 28.4cm-1, approximately 1cm-1 smaller than the empirical potential of Aziz, R. A., and Slaman, M., J., 1989, Chem. Phys., 130, 187. Inclusion of core and core-valence correlation effects has a negligible effect on the Ne well depth, decreasing it by only 0.04cm-1. For Ar2, CCSD(T)/ d-aug-cc-pV6Z calculations yield a well depth of 96.2cm-1. The corresponding HFDID potential of Aziz, R. A., 1993, J. chem. Phys., 99, 4518 predicts of D of 99.7cm-1. Inclusion of core and core-valence effects in Ar increases the well depth and decreases the discrepancy by approximately 1cm-1.
Investigating the clinical potential for 14-3-3 zeta protein to serve as a biomarker for epithelial ovarian cancer

PubMed Central

2013-01-01

Objective Recently, 14-3-3 zeta protein was identified as a potential serum biomarker of epithelial ovarian cancer (EOC). The goal of this study was to investigate the clinical potential of 14-3-3 zeta protein for monitoring EOC progression compared with CA-125 and HE4. Design Prospective follow-up study. Setting University of Pecs Medical Center Department of Obstetrics and Gynecology/Oncology (Pecs, Hungary). Population Thirteen EOC patients with advanced stage (FIGO IIb-IIIc) epithelial ovarian cancer that underwent radical surgery and received six consecutive cycles of first line chemotherapy (paclitaxel, carboplatin) in 21-day intervals. Methods Pre- and post-chemotherapy computed tomography (CT) scans were performed. Serum levels of CA-125, HE4, and 14-3-3 zeta protein were detected by enzyme-linked immunosorbent assay (ELISA) and quantitative electrochemiluminescence assay (ECLIA). Main outcome measures Serum levels of CA-125, HE4, and 14-3-3 zeta protein, as well as lesion size according to pre- and post-chemotherapy CT scans. Results Serum levels of CA-125 and HE4 were found to significantly decrease following chemotherapy, and this was consistent with the decrease in lesion size detected post-chemotherapy. In contrast, 14-3-3 zeta protein levels did not significantly differ in healthy postmenopausal patients versus EOC patients. Conclusions Determination of CA-125 and HE4 serum levels for the determination of the risk of ovarian malignancy algorithm (ROMA) represents a useful tool for the prediction of chemotherapy efficacy for EOC patients. However, levels of 14-3-3 zeta protein were not found to vary significantly as a consequence of treatment. Therefore we question if 14-3-3 zeta protein is a reliable biomarker, which correlates with the clinical behavior of EOC. PMID:24238270

The receptor protein tyrosine phosphatase (RPTP){beta}/{zeta} is expressed in different subtypes of human breast cancer

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

Perez-Pinera, Pablo; Garcia-Suarez, Olivia; Instituto Universitario de Oncologia del Principado de Asturias, Oviedo

2007-10-12

Increasing evidence suggests mutations in human breast cancer cells that induce inappropriate expression of the 18-kDa cytokine pleiotrophin (PTN, Ptn) initiate progression of breast cancers to a more malignant phenotype. Pleiotrophin signals through inactivating its receptor, the receptor protein tyrosine phosphatase (RPTP){beta}/{zeta}, leading to increased tyrosine phosphorylation of different substrate proteins of RPTP{beta}/{zeta}, including {beta}-catenin, {beta}-adducin, Fyn, GIT1/Cat-1, and P190RhoGAP. PTN signaling thus has wide impact on different important cellular systems. Recently, PTN was found to activate anaplastic lymphoma kinase (ALK) through the PTN/RPTP{beta}/{zeta} signaling pathway; this discovery potentially is very important, since constitutive ALK activity of nucleophosmin (NPM)-ALK fusionmore » protein is causative of anaplastic large cell lymphomas, and, activated ALK is found in other malignant cancers. Recently ALK was identified in each of 63 human breast cancers from 22 subjects. We now demonstrate that RPTP{beta}/{zeta} is expressed in each of these same 63 human breast cancers that previously were found to express ALK and in 10 additional samples of human breast cancer. RPTP{beta}/{zeta} furthermore was localized not only in its normal association with the cell membrane but also scattered in cytoplasm and in nuclei in different breast cancer cells and, in the case of infiltrating ductal carcinomas, the distribution of RPTP{beta}/{zeta} changes as the breast cancer become more malignant. The data suggest that the PTN/RPTP{beta}/{zeta} signaling pathway may be constitutively activated and potentially function to constitutively activate ALK in human breast cancer.« less
Cosmic-ray Induced Destruction of CO in Star-forming Galaxies

NASA Astrophysics Data System (ADS)

Bisbas, Thomas G.; van Dishoeck, Ewine F.; Papadopoulos, Padelis P.; Szűcs, László; Bialy, Shmuel; Zhang, Zhi-Yu

2017-04-01

We explore the effects of the expected higher cosmic ray (CR) ionization rates {\\zeta }{CR} on the abundances of carbon monoxide (CO), atomic carbon (C), and ionized carbon (C+) in the H2 clouds of star-forming galaxies. The study of Bisbas et al. is expanded by (a) using realistic inhomogeneous giant molecular cloud (GMC) structures, (b) a detailed chemical analysis behind the CR-induced destruction of CO, and (c) exploring the thermal state of CR-irradiated molecular gas. CRs permeating the interstellar medium with {\\zeta }{CR}≳ 10× ({Galactic}) are found to significantly reduce the [CO]/[H2] abundance ratios throughout the mass of a GMC. CO rotational line imaging will then show much clumpier structures than the actual ones. For {\\zeta }{CR}≳ 100 × (Galactic) this bias becomes severe, limiting the usefulness of CO lines for recovering structural and dynamical characteristics of H2-rich galaxies throughout the universe, including many of the so-called main-sequence galaxies where the bulk of cosmic star formation occurs. Both C+ and C abundances increase with rising {\\zeta }{CR}, with C remaining the most abundant of the two throughout H2 clouds, when {\\zeta }{CR}˜ (1-100) × (Galactic). C+ starts to dominate for {\\zeta }{CR}≳ {10}3 × (Galactic). The thermal state of the gas in the inner and denser regions of GMCs is invariant with {T}{gas}˜ 10 {{K}} for {\\zeta }{CR}˜ (1-10) × (Galactic). For {\\zeta }{CR}˜ {10}3 × (Galactic) this is no longer the case and {T}{gas}˜ 30{--}50 {{K}} are reached. Finally, we identify OH as the key species whose T gas-sensitive abundance could mitigate the destruction of CO at high temperatures.
The Structural Evolution of Milky-Way-Like Star-Forming Galaxies zeta is approximately 1.3

NASA Technical Reports Server (NTRS)

Patel, Shannon G.; Fumagalli, Mattia; Franx, Marun; VanDokkum, Pieter G.; VanDerWel, Arjen; Leja, Joel; Labbe, Ivo; Brammr, Gabriel; Whitaker, Katherine E.; Skelton, Rosalind E.;

2013-01-01

We follow the structural evolution of star-forming galaxies (SFGs) like the Milky Way by selecting progenitors to zeta is approx. 1.3 based on the stellar mass growth inferred from the evolution of the star-forming sequence. We select our sample from the 3D-HT survey, which utilizes spectroscopy from the HST-WFC3 G141 near-IR grism and enables precise redshift measurements for our sample of SFGs. Structural properties are obtained from Sersic profile fits to CANDELS WFC3 imaging. The progenitors of zeta = 0 SFGs with stellar mass M = 10(exp 10.5) solar mass are typically half as massive at zeta is approx. 1. This late-time stellar mass grow is consistent with recent studies that employ abundance matching techniques. The descendant SFGs at zeta is approx. 0 have grown in half-light radius by a factor of approx. 1.4 zeta is approx. 1. The half-light radius grows with stellar mass as r(sub e) alpha stellar mass(exp 0.29). While most of the stellar mass is clearly assembling at large radii, the mass surface density profiles reveal ongoing mass growth also in the central regions where bulges and pseudobulges are common features in present day late-type galaxies. Some portion of this growth in the central regions is due to star formation as recent observations of H(a) maps for SFGs at zeta approx. are found to be extended but centrally peaked. Connecting our lookback study with galactic archeology, we find the stellar mass surface density at R - 8 kkpc to have increased by a factor of approx. 2 since zeta is approx. 1, in good agreement with measurements derived for the solar neighborhood of the Milky Way.

A Comparison of Streaming and Microelectrophoresis Methods for Obtaining the zeta Potential of Granular Porous Media Surfaces.

PubMed

Johnson

1999-01-01

The electrokinetic behavior of granular quartz sand in aqueous solution is investigated by both microelectrophoresis and streaming potential methods. zeta potentials of surfaces composed of granular quartz obtained via streaming potential methods are compared to electrophoretic mobility zeta potential values of colloid-sized quartz fragments. The zeta values generated by these alternate methods are in close agreement over a wide pH range and electrolyte concentrations spanning several orders of magnitude. Streaming measurements performed on chemically heterogeneous mixtures of physically homogeneous sand are shown to obey a simple mixing model based on the surface area-weighted average of the streaming potentials associated with the individual end members. These experimental results support the applicability of the streaming potential method as a means of determining the zeta potential of granular porous media surfaces. Copyright 1999 Academic Press.
Surface Complexation Modeling of Calcite Zeta Potential Measurement in Mixed Brines for Carbonate Wettability Characterization

NASA Astrophysics Data System (ADS)

Song, J.; Zeng, Y.; Biswal, S. L.; Hirasaki, G. J.

2017-12-01

We presents zeta potential measurements and surface complexation modeling (SCM) of synthetic calcite in various conditions. The systematic zeta potential measurement and the proposed SCM provide insight into the role of four potential determining cations (Mg2+, SO42- , Ca2+ and CO32-) and CO2 partial pressure in calcite surface charge formation and facilitate the revealing of calcite wettability alteration induced by brines with designed ionic composition ("smart water"). Brines with varying potential determining ions (PDI) concentration in two different CO2 partial pressure (PCO2) are investigated in experiments. Then, a double layer SCM is developed to model the zeta potential measurements. Moreover, we propose a definition for contribution of charged surface species and quantitatively analyze the variation of charged species contribution when changing brine composition. After showing our model can accurately predict calcite zeta potential in brines containing mixed PDIs, we apply it to predict zeta potential in ultra-low and pressurized CO2 environments for potential applications in carbonate enhanced oil recovery including miscible CO2 flooding and CO2 sequestration in carbonate reservoirs. Model prediction reveals that pure calcite surface will be positively charged in all investigated brines in pressurized CO2 environment (>1atm). Moreover, the sensitivity of calcite zeta potential to CO2 partial pressure in the various brine is found to be in the sequence of Na2CO3 > Na2SO4 > NaCl > MgCl2 > CaCl2 (Ionic strength=0.1M).
Probability function of breaking-limited surface elevation. [wind generated waves of ocean

NASA Technical Reports Server (NTRS)

Tung, C. C.; Huang, N. E.; Yuan, Y.; Long, S. R.

1989-01-01

The effect of wave breaking on the probability function of surface elevation is examined. The surface elevation limited by wave breaking zeta sub b(t) is first related to the original wave elevation zeta(t) and its second derivative. An approximate, second-order, nonlinear, non-Gaussian model for zeta(t) of arbitrary but moderate bandwidth is presented, and an expression for the probability density function zeta sub b(t) is derived. The results show clearly that the effect of wave breaking on the probability density function of surface elevation is to introduce a secondary hump on the positive side of the probability density function, a phenomenon also observed in wind wave tank experiments.
Application of the zeta potential for stationary phase characterization in ion chromatography.

PubMed

Buszewski, Bogusław; Jaćkowska, Magdalena; Bocian, Szymon; Dziubakiewicz, Ewelina

2013-01-01

Two series of homemade stationary bonded phases for ion chromatography were investigated according to their zeta potential. One set of dendrimer anion exchanger was synthesized on the polymer support whereas the second material was prepared on the silica gel. The zeta potential data in water environment as well as buffered water solution were obtained. The influence of the length of anion-exchanger chains, the type of the support of the modified surface, and charge distribution on these data was investigated. Additionally, the zeta potential was correlated with retention factor of inorganic ions to describe their influence on the retention mechanism in ion chromatography. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Alkali/TX[sub 2] catalysts for CO/H[sub 2] conversion to C[sub 1]-C[sub 4] alcohols

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

Klier, K.; Herman, R.G.; Richards-Babb, M.

1993-03-01

The objective of this research is to determine the patterns of variations of catalyst activity and selectivity for the synthesis of alcohols from H[sub 2]/CO synthesis gas. Since the source of carbon can be coal-derived synthesis gas, this research makes a contribution to the technology for high quality clean transportation fuels and for basic chemicals from coal. Catalysts prepared were principally based on MoS[sub 2], RuS[sub 2], TaS[sub 2], and NbS[sub 2]. Catalytic testing of these materials was carried out both before and after surface doping with Cs. In alcohol synthesis activation of hydrogen by the catalyst surface is essential.more » Knowledge of transition metal disulfide surface properties is important before the mechanism of hydrogen dissociation can be addressed. The electronic structures of MoS[sub 2], RuS[sub 2], and NbS[sub 2] were studied both theoretically and experimentally. Experimental valence bands were obtained by high resolution electron spectroscopy for chemical analysis (HR-ESCA, also referred to as x-ray photoelectron spectroscopy) and theoretical valence bands were calculated using solid state extended Hueckel theory. Comparison of two-dimensional (2-D) MoS[sub 2] theoretical valence bands with the experimental HR-ESCA valence bands of polycrystalline MoS[sub 2] led to parametrization of the S 3s, S 3p, and Mo 4d atomic ionization potentials and Slater-type coefficients and exponents. The S 3s and S 3p parameters obtained for MoS[sub 2] were used to obtain the NbS[sub 2] and RuS[sub 2] theoretical valence bands.« less
Alkali/TX{sub 2} catalysts for CO/H{sub 2} conversion to C{sub 1}-C{sub 4} alcohols. Final technical progress report, September 1, 1988--August 31, 1991

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

Klier, K.; Herman, R.G.; Richards-Babb, M.

1993-03-01

The objective of this research is to determine the patterns of variations of catalyst activity and selectivity for the synthesis of alcohols from H{sub 2}/CO synthesis gas. Since the source of carbon can be coal-derived synthesis gas, this research makes a contribution to the technology for high quality clean transportation fuels and for basic chemicals from coal. Catalysts prepared were principally based on MoS{sub 2}, RuS{sub 2}, TaS{sub 2}, and NbS{sub 2}. Catalytic testing of these materials was carried out both before and after surface doping with Cs. In alcohol synthesis activation of hydrogen by the catalyst surface is essential.more » Knowledge of transition metal disulfide surface properties is important before the mechanism of hydrogen dissociation can be addressed. The electronic structures of MoS{sub 2}, RuS{sub 2}, and NbS{sub 2} were studied both theoretically and experimentally. Experimental valence bands were obtained by high resolution electron spectroscopy for chemical analysis (HR-ESCA, also referred to as x-ray photoelectron spectroscopy) and theoretical valence bands were calculated using solid state extended Hueckel theory. Comparison of two-dimensional (2-D) MoS{sub 2} theoretical valence bands with the experimental HR-ESCA valence bands of polycrystalline MoS{sub 2} led to parametrization of the S 3s, S 3p, and Mo 4d atomic ionization potentials and Slater-type coefficients and exponents. The S 3s and S 3p parameters obtained for MoS{sub 2} were used to obtain the NbS{sub 2} and RuS{sub 2} theoretical valence bands.« less
Fuzzy-PI-based centralised control of semi-isolated FP-SEPIC/ZETA BDC in a PV/battery hybrid system

NASA Astrophysics Data System (ADS)

Mahendran, Venmathi; Ramabadran, Ramaprabha

2016-11-01

Multiport converters with centralised controller have been most commonly used in stand-alone photovoltaic (PV)/battery hybrid system to supply the load smoothly without any disturbances. This study presents the performance analysis of four-port SEPIC/ZETA bidirectional converter (FP-SEPIC/ZETA BDC) using various types of centralised control schemes like Fuzzy tuned proportional integral controller (Fuzzy-PI), fuzzy logic controller (FLC) and conventional proportional integral (PI) controller. The proposed FP-SEPIC/ZETA BDC with various control strategy is derived for simultaneous power management of a PV source using distributed maximum power point tracking (DMPPT) algorithm, a rechargeable battery, and a load by means of centralised controller. The steady state and the dynamic response of the FP-SEPIC/ZETA BDC are analysed using three different types of controllers under line and load regulation. The Fuzzy-PI-based control scheme improves the dynamic response of the system when compared with the FLC and the conventional PI controller. The power balance between the ports is achieved by pseudorandom carrier modulation scheme. The response of the FP-SEPIC/ZETA BDC is also validated experimentally using hardware prototype model of 500 W system. The effectiveness of the control strategy is validated using simulation and experimental results.
Emotion Words Affect Eye Fixations during Reading

ERIC Educational Resources Information Center

Scott, Graham G.; O'Donnell, Patrick J.; Sereno, Sara C.

2012-01-01

Emotion words are generally characterized as possessing high arousal and extreme valence and have typically been investigated in paradigms in which they are presented and measured as single words. This study examined whether a word's emotional qualities influenced the time spent viewing that word in the context of normal reading. Eye movements…
Zeta potential in oil-brine-sandstone system and its role in oil recovery during controlled salinity waterflooding

NASA Astrophysics Data System (ADS)

Li, S.; Jackson, M.

2017-12-01

Wettability alteration is widely recognised as a primary role in improved oil recovery (IOR) during controlled salinity waterflooding (CSW) by modifying brine composition. The change of wettability of core sample depends on adsorption of polar oil compounds into the mineral surface which influences its surface charge density and zeta potential. It has been proved that zeta potentials can be useful to quantify the wettability and incremental oil recovery in natural carbonates. However, the study of zeta potential in oil-brine-sandstone system has not investigated yet. In this experimental study, the zeta potential is used to examine the controlled salinity effects on IOR in nature sandstone (Doddington) aged with two types of crude oils (Oil T and Oil D) over 4 weeks at 80 °C. Results show that the zeta potential measured in the Oil T-brine-sandstone system following primary waterflooding decreases compared to that in fully water saturation, which is consistent with the negative oil found in carbonates study, and IOR response during secondary waterflooding using diluted seawater was observed. In the case of negative oil, the injected low salinity brine induces a more repulsive electrostatic force between the mineral-brine interface and oil-brine interface, which results in an increase disjoining pressure and alters the rock surface to be more water-wet. For Oil D with a positive oil-brine interface, the zeta potential becomes more positive compared to that under single phase condition. The conventional waterflooding fails to observe the IOR in Oil D-brine-sandstone system due to a less repulsive electrostatic force built up between the two interfaces. After switching the injection brine from low salinity brine to formation brine, the IOR was observed. Measured zeta potentials shed some light on the mechanism of wettability alteration in the oil-brine-sandstone system and oil recovery during CSW.
Differential interaction and aggregation of 3-repeat and 4-repeat tau isoforms with 14-3-3{zeta} protein

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

Sadik, Golam; Tanaka, Toshihisa, E-mail: tanaka@psy.med.osaka-u.ac.jp; Kato, Kiyoko

2009-05-22

Tau isoforms, 3-repeat (3R) and 4-repeat tau (4R), are differentially involved in neuronal development and in several tauopathies. 14-3-3 protein binds to tau and 14-3-3/tau association has been found both in the development and in tauopathies. To understand the role of 14-3-3 in the differential regulation of tau isoforms, we have performed studies on the interaction and aggregation of 3R-tau and 4R-tau, either phosphorylated or unphosphorylated, with 14-3-3{zeta}. We show by surface plasmon resonance studies that the interaction between unphosphorylated 3R-tau and 14-3-3{zeta} is {approx}3-folds higher than that between unphosphorylated 4R-tau and 14-3-3{zeta}. Phosphorylation of tau by protein kinase Amore » (PKA) increases the affinity of both 3R- and 4R-tau for 14-3-3{zeta} to a similar level. An in vitro aggregation assay employing both transmission electron microscopy and fluorescence spectroscopy revealed the aggregation of unphosphorylated 4R-tau to be significantly higher than that of unphosphorylated 3R-tau following the induction of 14-3-3{zeta}. The filaments formed from 3R- and 4R-tau were almost similar in morphology. In contrast, the aggregation of both 3R- and 4R-tau was reduced to a similar low level after phosphorylation with PKA. Taken together, these results suggest that 14-3-3{zeta} exhibits a similar role for tau isoforms after PKA-phosphorylation, but a differential role for unphosphorylated tau. The significant aggregation of 4R-tau by 14-3-3{zeta} suggests that 14-3-3 may act as an inducer in the generation of 4R-tau-predominant neurofibrillary tangles in tauopathies.« less
A novel biocoagulant agent from mushroom chitosan as water and wastewater therapy.

PubMed

Adnan, Oday; Abidin, Zurina Z; Idris, Azni; Kamarudin, Suryani; Al-Qubaisi, Mothanna Sadiq

2017-08-01

A new commercial cationic polyelectrolyte chitosan (CM), obtained from the waste of mushroom production, was examined using models of water and wastewater namely kaolin and palm oil mill effluent (pome). As it is biocompatible, widely available, and economically feasible, chitosan mushroom has high potential to be a suitable replacement for alum. Also, it can be a promising alternative to chitosan obtained traditionally from Crustaceans due to its higher zeta potential and homogeneity based on the raw material required for its production. A wide range of coagulant dose (5-60 mg l -1 ) and wastewater pH (2-12) were taken into account to find the optimal conditions of coagulation. The optimal doses are 10 and 20 mg l -1 at best pH (11 and 3) when treated with kaolin and palm oil mill effluent, respectively, while 1200 mg l -1 of alum was not enough to reach the efficiency of chitosan mushroom. On the other hand, the optimum dose of chitosan mushroom (20 mg l -1 ) at pH 3 of pome produced (75, 73, and 98%) removal of chemical oxygen demand (COD), biological oxygen demand (BOD), and total suspended solids (TSS), respectively. The significant potential of chitosan mushroom was proved by zeta potential measurement. Indeed, it possesses the highest zeta potential (+70 mV) as compared to the traditional chitosan produced from crustaceans. In short, chitosan mushroom as a biocoagulant is eco-friendly and it enhances water quality that meets the requirements of environmental conservatives.
Levels of Valence

PubMed Central

Shuman, Vera; Sander, David; Scherer, Klaus R.

2013-01-01

The distinction between the positive and the negative is fundamental in our emotional life. In appraisal theories, in particular in the component process model of emotion (Scherer, 1984, 2010), qualitatively different types of valence are proposed based on appraisals of (un)pleasantness, goal obstructiveness/conduciveness, low or high power, self-(in)congruence, and moral badness/goodness. This multifaceted conceptualization of valence is highly compatible with the frequent observation of mixed feelings in real life. However, it seems to contradict the one-dimensional conceptualization of valence often encountered in psychological theories, and the notion of valence as a common currency used to explain choice behavior. Here, we propose a framework to integrate the seemingly disparate conceptualizations of multifaceted valence and one-dimensional valence by suggesting that valence should be conceived at different levels, micro and macro. Micro-valences correspond to qualitatively different types of evaluations, potentially resulting in mixed feelings, whereas one-dimensional macro-valence corresponds to an integrative “common currency” to compare alternatives for choices. We propose that conceptualizing levels of valence may focus research attention on the mechanisms that relate valence at one level (micro) to valence at another level (macro), leading to new hypotheses, and addressing various concerns that have been raised about the valence concept, such as the valence-emotion relation. PMID:23717292
Kinetic Modulation of Pulsed Chrono-potentiometric Polymeric Membrane Ion Sensors by Polyelectrolyte Multilayers

PubMed Central

Xu, Yida; Xu, Chao; Shvarev, Alexey; Becker, Thomas; De Marco, Roland

2010-01-01

Polymeric membrane ion selective electrodes are normally interrogated by zero current potentiometry, and their selectivity is understood to be primarily dependent on an extraction/ion-exchange equilibrium between the aqueous sample and polymeric membrane. If concentration gradients in the contacting diffusion layers are insubstantial, the membrane response is thought to be rather independent of kinetic processes such as surface blocking effects. In this work, the surface of calcium-selective polymeric ion-selective electrodes is coated with polyelectrolyte multilayers as evidenced by zeta potential measurements, atomic force microscopy and electrochemical impedance spectroscopy. Indeed, such multilayers have no effect on their potentiometric response if the membranes are formulated in a traditional manner, containing a lipophilic ion-exchanger and a calcium-selective ionophore. However, drastic changes in the potential response are observed if the membranes are operated in a recently introduced kinetic mode using pulsed chronopotentiometry. The results suggest that the assembled nanostructured multilayers drastically alter the kinetics of ion transport to the sensing membrane, making use of the effect that polyelectrolyte multilayers have different permeabilities toward ions with different valences. The results have implications to the design of chemically selective ion sensors since surface localized kinetic limitations can now be used as an additional dimension to tune the operational ion selectivity. PMID:17711298
Accurate virial coefficients of gaseous krypton from state-of-the-art ab initio potential and polarizability of the krypton dimer

NASA Astrophysics Data System (ADS)

Song, Bo; Waldrop, Jonathan M.; Wang, Xiaopo; Patkowski, Konrad

2018-01-01

We have developed a new krypton-krypton interaction-induced isotropic dipole polarizability curve based on high-level ab initio methods. The determination was carried out using the coupled-cluster singles and doubles plus perturbative triples method with very large basis sets up to augmented correlation-consistent sextuple zeta as well as the corrections for core-core and core-valence correlation and relativistic effects. The analytical function of polarizability and our recently constructed reference interatomic potential [J. M. Waldrop et al., J. Chem. Phys. 142, 204307 (2015)] were used to predict the thermophysical and electromagnetic properties of krypton gas. The second pressure, acoustic, and dielectric virial coefficients were computed for the temperature range of 116 K-5000 K using classical statistical mechanics supplemented with high-order quantum corrections. The virial coefficients calculated were compared with the generally less precise available experimental data as well as with values computed from other potentials in the literature {in particular, the recent highly accurate potential of Jäger et al. [J. Chem. Phys. 144, 114304 (2016)]}. The detailed examination in this work suggests that the present theoretical prediction can be applied as reference values in disciplines involving thermophysical and electromagnetic properties of krypton gas.
DFT simulations and vibrational spectra of 2-amino-2-methyl-1,3-propanediol.

PubMed

Renuga Devi, T S; Sharmi kumar, J; Ramkumaar, G R

2014-12-10

The FTIR and FT-Raman spectra of 2-amino-2-methyl-1,3-propanediol were recorded in the regions 4000-400cm(-1) and 4000-50cm(-1) respectively. The structural and spectroscopic data of the molecule in the ground state were calculated using Hartee-Fock and density functional method (B3LYP) with the augmented-correlation consistent-polarized valence double zeta (aug-cc-pVDZ) basis set. The most stable conformer was optimized and the structural and vibrational parameters were determined based on this. The complete assignments were performed on the basis of the Potential Energy Distribution (PED) of the vibrational modes, calculated using Vibrational Energy Distribution Analysis (VEDA) 4 program. With the observed FTIR and FT-Raman data, a complete vibrational assignment and analysis of the fundamental modes of the compound were carried out. Thermodynamic properties and Mulliken charges were calculated using both Hartee-Fock and density functional method using the aug-cc-pVDZ basis set and compared. The calculated HOMO-LUMO energy gap revealed that charge transfer occurs within the molecule. (1)H and (13)C NMR chemical shifts of the molecule were calculated using Gauge-Independent Atomic Orbital (GIAO) method and were compared with experimental results. Copyright © 2014 Elsevier B.V. All rights reserved.
DOE Office of Scientific and Technical Information (OSTI.GOV)

Hill, J. Grant, E-mail: grant.hill@sheffield.ac.uk, E-mail: kipeters@wsu.edu; Peterson, Kirk A., E-mail: grant.hill@sheffield.ac.uk, E-mail: kipeters@wsu.edu

New correlation consistent basis sets, cc-pVnZ-PP-F12 (n = D, T, Q), for all the post-d main group elements Ga–Rn have been optimized for use in explicitly correlated F12 calculations. The new sets, which include not only orbital basis sets but also the matching auxiliary sets required for density fitting both conventional and F12 integrals, are designed for correlation of valence sp, as well as the outer-core d electrons. The basis sets are constructed for use with the previously published small-core relativistic pseudopotentials of the Stuttgart-Cologne variety. Benchmark explicitly correlated coupled-cluster singles and doubles with perturbative triples [CCSD(T)-F12b] calculations of themore » spectroscopic properties of numerous diatomic molecules involving 4p, 5p, and 6p elements have been carried out and compared to the analogous conventional CCSD(T) results. In general the F12 results obtained with a n-zeta F12 basis set were comparable to conventional aug-cc-pVxZ-PP or aug-cc-pwCVxZ-PP basis set calculations obtained with x = n + 1 or even x = n + 2. The new sets used in CCSD(T)-F12b calculations are particularly efficient at accurately recovering the large correlation effects of the outer-core d electrons.« less
A potential-energy surface study of the 2A1 and low-lying dissociative states of the methoxy radical

NASA Technical Reports Server (NTRS)

Jackels, C. F.

1985-01-01

Accurate, ab initio quantum chemical techniques are applied in the present study of low lying bound and dissociative states of the methoxy radical at C3nu conformations, using a double zeta quality basis set that is augmented with polarization and diffuse functions. Excitation energy estimates are obtained for vertical excitation, vertical deexcitation, and system origin. The rate of methoxy photolysis is estimated to be too small to warrant its inclusion in atmospheric models.

High mobility group box-1 is phosphorylated by protein kinase C zeta and secreted in colon cancer cells

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

Lee, Hanna; Park, Minhee; Shin, Nara

2012-07-27

Highlights: Black-Right-Pointing-Pointer Specific enzyme for HMGB1 phosphorylation and its secretion is proposed. Black-Right-Pointing-Pointer Inhibition of PKC-{zeta} leads to significant reduction of the secreted HMGB1. Black-Right-Pointing-Pointer Phosphorylation of specific site of HMGB1 redirects its secretion in cancer cells. Black-Right-Pointing-Pointer Activation of PKC-{zeta} in cancers explains the enhanced HMGB1 secretion. -- Abstract: High mobility group box-1 (HMGB1), a nuclear protein, is overexpressed and secreted in cancer cells. Phosphorylation on two different nuclear localization signal regions are known to be important for the nuclear-to-cytoplasmic transport and secretion of HMGB1. However, little is known about the biochemical mechanism of HMGB1 modifications and its subsequentmore » secretion from cancer cells. To identify the specific enzyme and important sites for HMGB1 phosphorylation, we screened the protein kinase C (PKC) family in a colon cancer cell line (HCT116) for HMGB1 binding by pull-down experiments using a 3XFLAG-HMGB1 construct. Strong interactions between atypical PKCs (PKC-{zeta}, {lambda}, and {iota}) and cytoplasmic HMGB1 were observed in HCT116 cells. We further identified the most critical PKC isotype that regulates HMGB1 secretion is PKC-{zeta} by using PKC inhibitors and siRNA experiments. The serine residues at S39, S53 and S181 of HMGB1 were related to enhancing HMGB1 secretion. We also demonstrated overexpression and activation of PKC-{zeta} in colon cancer tissues. Our findings suggest that PKC-{zeta} is involved in the phosphorylation of HMGB1, and the phosphorylation of specific serine residues in the nuclear localization signal regions is related to enhanced HMGB1 secretion in colon cancer cells.« less
Measurement of Zeta-Potential at Microchannel Wall by a Nanoscale Laser Induced Fluorescence Imaging

NASA Astrophysics Data System (ADS)

Kazoe, Yutaka; Sato, Yohei

A nanoscale laser induced fluorescence imaging was proposed by using fluorescent dye and the evanescent wave with total internal reflection of a laser beam. The present study focused on the two-dimensional measurement of zeta-potential at the microchannel wall, which is an electrostatic potential at the wall surface and a dominant parameter of electroosmotic flow. The evanescent wave, which decays exponentially from the wall, was used as an excitation light of the fluorescent dye. The fluorescent intensity detected by a CCD camera is closely related to the zeta-potential. Two kinds of fluorescent dye solution at different ionic concentrations were injected into a T-shaped microchannel, and formed a mixing flow field in the junction area. The two-dimensional distribution of zeta-potential at the microchannel wall in the pressure-driven flow field was measured. The obtained zeta-potential distribution has a transverse gradient toward the mixing flow field and was changed by the difference in the averaged velocity of pressure-driven flow. To understand the ion motion in the mixing flow field, the three-dimensional flow structure was analyzed by the velocity measurement using micron-resolution particle image velocimetry and the numerical simulation. It is concluded that the two-dimensional distribution of zeta-potential at the microchannel wall was dependent on the ion motion in the flow field, which was governed by the convection and molecular diffusion.
Interstellar detection of the intersystem line Si II lambda 2335 toward zeta Ophiuchi

NASA Technical Reports Server (NTRS)

Cardelli, Jason A.; Sofia, Ulysses J.; Savage, Blair D.; Keenan, Francis P.; Dufton, Philip L.

1994-01-01

We report on the detection of the weak intersystem transistion of Si II lambda 2335 A in the sight line toward zeta Oph using the Ech-B mode (3.5 km/s resolution) of the Goddard High Resolution Spectrograph. The high-quality spectrum is characterized by an empirically measured signal-to-noise of 450, in excellent agreement with that expected from photon-statistics. The measured equivalent width of the Si II line is W(sub lambda) = 0.48 +/- 0.12 mA. Using the new experimental f-value of Calamai, Smith, and Bergeson, we find a Si II column density of 2.34 (+/- 0.58) x 10(exp 15) atoms/sq cm and (Si/H)(sub zeta Oph) = 1.78 (+/- 0.44) x 10(exp -6) for the principal absorbing component(s) at v(sub sun) approx. = -15 km/s. Analysis of the Si II lambda 1808 absorption over the same velocity range using the new experimental f-value of Bergeson & Lawler yields a column density (corrected for saturation) that is consistent within the weak line errors and confirms the relative accuracies of these new f-values. Furthermore, these results indicate that accurate abundances can now be derived for Si II, particularly from the weak Si II lambda 2335 A since it is free of saturation effects. For the zeta Oph v(sub sun) approx. = -15 km/s component(s), we find that greater than 95% of the available cosmic abundance (i.e. the 1989 meteoritic abundances of Anders & Grevesse) of Mg, Fe, and Si is 'missing' from the gas phase and is presumably locked up in the dust. These elements are present in the dust grains in ratios of Fe/Si approximately equals 0.9 and Mg/Si approximately equals 1.1, consistent with the ratio of their cosmic abundances. These ratios are in sharp contrast to more diffuse clouds like those seen toward the high-latitude halo star HD 93521 where in the dust Fe/Si approximately equals 1.8 and Mg/Si approximately equals 2.1.
Atomic-scale study of stacking faults in Zr hydrides and implications on hydride formation.

PubMed

Besson, Remy; Thuinet, L; Louchez, Marc-Antoine

2018-06-25

We performed atomic-scale ab initio calculations to investigate the stacking fault (SF) properties of the metastable zeta-Zr2H zirconium hydride. The effect of H near the SF was found to entail the existence of negative SF energies, showing that the zeta compound is probably unstable with respect to shearing in the basal plane. The effect of temperature on SFs was investigated by means of free energy calculations in the quasiharmonic approximation. This evidenced unexpectedly large temperature effects, confirming the main conclusions drawn at 0 K, in particular the zeta mechanical instability. The complex behaviour of H atoms during the shear process suggested zeta-hcp --> Zr2H[111]-fcc as a plausible shear path leading to an fcc compound with same composition as zeta. Finally, as shown by an analysis based on microelasticity, this Zr2H[111]-fcc intermediate compound may be relevant for better interpreting the currently intricate issue of hydride habit planes in zirconium. © 2018 IOP Publishing Ltd.
The ng_ζ1 toxin of the gonococcal epsilon/zeta toxin/antitoxin system drains precursors for cell wall synthesis.

PubMed

Rocker, Andrea; Peschke, Madeleine; Kittilä, Tiia; Sakson, Roman; Brieke, Clara; Meinhart, Anton

2018-04-27

Bacterial toxin-antitoxin complexes are emerging as key players modulating bacterial physiology as activation of toxins induces stasis or programmed cell death by interference with vital cellular processes. Zeta toxins, which are prevalent in many bacterial genomes, were shown to interfere with cell wall formation by perturbing peptidoglycan synthesis in Gram-positive bacteria. Here, we characterize the epsilon/zeta toxin-antitoxin (TA) homologue from the Gram-negative pathogen Neisseria gonorrhoeae termed ng_ɛ1 / ng_ζ1. Contrary to previously studied streptococcal epsilon/zeta TA systems, ng_ɛ1 has an epsilon-unrelated fold and ng_ζ1 displays broader substrate specificity and phosphorylates multiple UDP-activated sugars that are precursors of peptidoglycan and lipopolysaccharide synthesis. Moreover, the phosphorylation site is different from the streptococcal zeta toxins, resulting in a different interference with cell wall synthesis. This difference most likely reflects adaptation to the individual cell wall composition of Gram-negative and Gram-positive organisms but also the distinct involvement of cell wall components in virulence.
Zeta-potential Analyses using Micro Electrical Field Flow Fractionation with Fluorescent Nanoparticles

PubMed Central

Chang, Moon-Hwan; Dosev, Dosi; Kennedy, Ian M.

2007-01-01

Increasingly growing application of nanoparticles in biotechnology requires fast and accessible tools for their manipulation and for characterization of their colloidal properties. In this work we determine the zeta-potentials for polystyrene nanoparticles using micro electrical field flow fractionation (μ–EFFF) which is an efficient method for sorting of particles by size. The data obtained by μ–EFFF were compared to zeta potentials determined by standard capillary electrophoresis. For proof of concept, we used polystyrene nanoparticles of two different sizes, impregnated with two different fluorescent dyes. Fluorescent emission spectra were used to evaluate the particle separation in both systems. Using the theory of electrophoresis, we estimated the zeta-potentials as a function of size, dielectric permittivity, viscosity and electrophoretic mobility. The results obtained by the μ–EFFF technique were confirmed by the conventional capillary electrophoresis measurements. These results demonstrate the applicability of the μ–EFFF method not only for particle size separation but also as a simple and inexpensive tool for measurements of nanoparticles zeta potentials. PMID:18542710
Hydrodynamic dispersion in a combined magnetohydrodynamic- electroosmotic-driven flow through a microchannel with slowly varying wall zeta potentials

NASA Astrophysics Data System (ADS)

Vargas, C.; Arcos, J.; Bautista, O.; Méndez, F.

2017-09-01

The effective dispersion coefficient of a neutral solute in the combined electroosmotic (EO) and magnetohydrodynamic (MHD)-driven flow of a Newtonian fluid through a parallel flat plate microchannel is studied. The walls of the microchannel are assumed to have modulated and low zeta potentials that vary slowly in the axial direction in a sinusoidal manner. The flow field required to obtain the dispersion coefficient is solved using the lubrication approximation theory. The solution of the electrical potential is based on the Debye-Hückel approximation for a symmetric (Z :Z ) electrolyte solution. The EO and MHD effects, together with the variations in the zeta potentials of the walls, are observed to notably modify the axial distribution of the effective dispersion coefficient. The problem is formulated for two cases of the zeta potential function. Note that the dispersion coefficient primarily depends on the Hartmann number, on the ratio of the half height of the microchannel to the Debye length, and on the assumed variation in the zeta potentials of the walls.
Constructing Emotional and Relational Understanding: The Role of Mother-Child Reminiscing about Negatively Valenced Events

ERIC Educational Resources Information Center

Laible, Deborah; Murphy, Tia Panfile; Augustine, Mairin

2013-01-01

Although there is some evidence from cross-sectional studies that reminiscing is an important context in which children construct socioemotional understanding, longitudinal evidence is lacking. The goal of this study was to examine longitudinally the links between the quality of reminiscing at 42 months and children's subsequent socioemotional…
Sleep in Advanced Age: A Comparison of Mexican American and Anglo American Elderly.

ERIC Educational Resources Information Center

Domino, George

1986-01-01

A sleep questionnaire was administered to 80 Mexican American and 80 Anglo elderly, ages 60 to 96. The Mexican American sample reported poorer quality and longer latency of sleep, greater negative affect concerning dreams, longer sleep duration, less dream recall, more regular sleep, and more positive valence towards sleep. (JHZ)
A surface-charge study on cellular-uptake behavior of F3-peptide-conjugated iron oxide nanoparticles.

PubMed

Zhang, Yu; Yang, Mo; Park, Ji-Ho; Singelyn, Jennifer; Ma, Huiqing; Sailor, Michael J; Ruoslahti, Erkki; Ozkan, Mihrimah; Ozkan, Cengiz

2009-09-01

Surface-charge measurements of mammalian cells in terms of Zeta potential are demonstrated as a useful biological characteristic in identifying cellular interactions with specific nanomaterials. A theoretical model of the changes in Zeta potential of cells after incubation with nanoparticles is established to predict the possible patterns of Zeta-potential change to reveal the binding and internalization effects. The experimental results show a distinct pattern of Zeta-potential change that allows the discrimination of human normal breast epithelial cells (MCF-10A) from human cancer breast epithelial cells (MCF-7) when the cells are incubated with dextran coated iron oxide nanoparticles that contain tumor-homing F3 peptides, where the tumor-homing F3 peptide specifically bound to nucleolin receptors that are overexpressed in cancer breast cells.
Catalytic properties of an expressed and purified higher plant type zeta-carotene desaturase from Capsicum annuum.

PubMed

Breitenbach, J; Kuntz, M; Takaichi, S; Sandmann, G

1999-10-01

The zeta-carotene desaturase from Capsicum annuum (EC 1.14.99.-) was expressed in Escherichia coli, purified and characterized biochemically. The enzyme acts as a monomer with lipophilic quinones as cofactors. Km values for the substrate zeta-carotene or the intermediate neurosporene in the two-step desaturation reaction are almost identical. Product analysis showed that different lycopene isomers are formed, including substantial amounts of the all-trans form, together with 7,7',9,9'-tetracis prolycopene via the corresponding neurosporene isomers. The application of different geometric isomers as substrates revealed that the zeta-carotene desaturase has no preference for certain isomers and that the nature of the isomers formed during catalysis depends strictly on the isomeric composition of the substrate.
Odor Emotional Quality Predicts Odor Identification.

PubMed

Bestgen, Anne-Kathrin; Schulze, Patrick; Kuchinke, Lars

2015-09-01

It is commonly agreed upon a strong link between emotion and olfaction. Odor-evoked memories are experienced as more emotional compared with verbal, visual, and tactile stimuli. Moreover, the emotional quality of odor cues increases memory performance, but contrary to this, odors are poor retrieval cues for verbal labels. To examine the relation between the emotional quality of an odor and its likelihood of identification, this study evaluates how normative emotion ratings based on the 3-dimensional affective space model (that includes valence, arousal, and dominance), using the Self-Assessment Manikin by Bradley and Lang (Bradley MM, Lang PJ. 1994. Measuring emotion: the Self-Assessment Manikin and the Semantic Differential. J Behav Ther Exp Psychiatry. 25(1):49-59.) and the Positive and Negative Affect Schedule (Watson D, Clark LA, Tellegen A. 1988. Development and validation of brief measures of positive and negative affect: the PANAS scales. J Pers Soc Psychol. 54(6):1063-1070.) predict the identification of odors in a multiple choice condition. The best fitting logistic regression model includes squared valence and dominance and thus, points to a significant role of specific emotional features of odors as a main clue for odor identification. © The Author 2015. Published by Oxford University Press. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.
Hemispheric Asymmetries in Price Estimation: Do Brain Hemispheres Attribute Different Monetary Values?

PubMed Central

Giuliani, Felice; D’Anselmo, Anita; Tommasi, Luca; Brancucci, Alfredo; Pietroni, Davide

2017-01-01

The Spatial Numerical Association of Response Codes (SNARC) effect has been associated with a wide range of magnitude processing. This effect is due to an implicit relationship between numbers and horizontal space, according to which weaker magnitudes and smaller numbers are represented on the left, whereas stronger magnitudes and larger numbers are represented on the right. However, for some particular type of magnitudes such as price, judgments may be also influenced by perceived quality and thus involving valence attribution biases driven by brain asymmetries. In the present study, a lateralized tachistoscopic presentation was used in a price estimation task, using a weight estimation task as a control, to assess differences in asymmetries between these two attributes. Results show a side bias in the former condition but not in the latter, thus indicating that other non-numerical mechanisms are involved in price estimation. Specifically, prices were estimated lower in the left visual field than in the right visual field. The proposed explanation is that price appraisal might involve a valence attribution mechanism leading to a better perceived quality (related to higher prices) when objects are processed primarily in the left hemisphere, and to a lower perceived quality (related to lower prices) when objects are processed primarily in the right hemisphere. PMID:29213252
Hemispheric Asymmetries in Price Estimation: Do Brain Hemispheres Attribute Different Monetary Values?

PubMed

Giuliani, Felice; D'Anselmo, Anita; Tommasi, Luca; Brancucci, Alfredo; Pietroni, Davide

2017-01-01

The Spatial Numerical Association of Response Codes (SNARC) effect has been associated with a wide range of magnitude processing. This effect is due to an implicit relationship between numbers and horizontal space, according to which weaker magnitudes and smaller numbers are represented on the left, whereas stronger magnitudes and larger numbers are represented on the right. However, for some particular type of magnitudes such as price, judgments may be also influenced by perceived quality and thus involving valence attribution biases driven by brain asymmetries. In the present study, a lateralized tachistoscopic presentation was used in a price estimation task, using a weight estimation task as a control, to assess differences in asymmetries between these two attributes. Results show a side bias in the former condition but not in the latter, thus indicating that other non-numerical mechanisms are involved in price estimation. Specifically, prices were estimated lower in the left visual field than in the right visual field. The proposed explanation is that price appraisal might involve a valence attribution mechanism leading to a better perceived quality (related to higher prices) when objects are processed primarily in the left hemisphere, and to a lower perceived quality (related to lower prices) when objects are processed primarily in the right hemisphere.
Correlation consistent valence basis sets for use with the Stuttgart-Dresden-Bonn relativistic effective core potentials: The atoms Ga-Kr and In-Xe

NASA Astrophysics Data System (ADS)

Martin, Jan M. L.; Sundermann, Andreas

2001-02-01

We propose large-core correlation-consistent (cc) pseudopotential basis sets for the heavy p-block elements Ga-Kr and In-Xe. The basis sets are of cc-pVTZ and cc-pVQZ quality, and have been optimized for use with the large-core (valence-electrons only) Stuttgart-Dresden-Bonn (SDB) relativistic pseudopotentials. Validation calculations on a variety of third-row and fourth-row diatomics suggest them to be comparable in quality to the all-electron cc-pVTZ and cc-pVQZ basis sets for lighter elements. Especially the SDB-cc-pVQZ basis set in conjunction with a core polarization potential (CPP) yields excellent agreement with experiment for compounds of the later heavy p-block elements. For accurate calculations on Ga (and, to a lesser extent, Ge) compounds, explicit treatment of 13 valence electrons appears to be desirable, while it seems inevitable for In compounds. For Ga and Ge, we propose correlation consistent basis sets extended for (3d) correlation. For accurate calculations on organometallic complexes of interest to homogenous catalysis, we recommend a combination of the standard cc-pVTZ basis set for first- and second-row elements, the presently derived SDB-cc-pVTZ basis set for heavier p-block elements, and for transition metals, the small-core [6s5p3d] Stuttgart-Dresden basis set-relativistic effective core potential combination supplemented by (2f1g) functions with exponents given in the Appendix to the present paper.
Organic particulate matter formation at varying relative humidity using surrogate secondary and primary organic compounds with activity corrections in the condensed phase obtained using a method based on the Wilson equation

NASA Astrophysics Data System (ADS)

Chang, E. I.; Pankow, J. F.

2008-01-01

Secondary organic aerosol (SOA) formation in the atmosphere is currently often modeled using a multiple lumped "two-product" (N·2p) approach. The N·2p approach neglects: 1) variation of activity coefficient (ζi) values and mean molecular weight MW in the particulate matter (PM) phase; 2) water uptake into the PM; and 3) the possibility of phase separation in the PM. This study considers these effects by adopting an (N·2p)ζ, MW ,θ approach (θ is a phase index). Specific chemical structures are assigned to 25 lumped SOA compounds and to 15 representative primary organic aerosol (POA) compounds to allow calculation of ζi and MW values. The SOA structure assignments are based on chamber-derived 2p gas/particle partition coefficient values coupled with known effects of structure on vapor pressure pL,i° (atm). To facilitate adoption of the (N·2p)ζ, MW, θ approach in large-scale models, this study also develops CP-Wilson.1, a group-contribution ζi-prediction method that is more computationally economical than the UNIFAC model of Fredenslund et al. (1975). Group parameter values required by CP-Wilson.1 are obtained by fitting ζi values to predictions from UNIFAC. The (N·2p)ζ,MW, θ approach is applied (using CP-Wilson.1) to several real α-pinene/O3 chamber cases for high reacted hydrocarbon levels (ΔHC≍400 to 1000 μg m-3) when relative humidity (RH) ≍50%. Good agreement between the chamber and predicted results is obtained using both the (N·2p)ζ, MW, θ and N·2p approaches, indicating relatively small water effects under these conditions. However, for a hypothetical α-pinene/O3 case at ΔHC=30 μg m-3 and RH=50%, the (N·2p)ζ, MW, θ approach predicts that water uptake will lead to an organic PM level that is more double that predicted by the N·2p approach. Adoption of the (N·2p)ζ, MW, θ approach using reasonable lumped structures for SOA and POA compounds is recommended for ambient PM modeling.
Perception of emotionally loaded vocal expressions and its connection to responses to music. A cross-cultural investigation: Estonia, Finland, Sweden, Russia, and the USA

PubMed Central

Waaramaa, Teija; Leisiö, Timo

2013-01-01

The present study focused on voice quality and the perception of the basic emotions from speech samples in cross-cultural conditions. It was examined whether voice quality, cultural, or language background, age, or gender were related to the identification of the emotions. Professional actors (n2) and actresses (n2) produced non-sense sentences (n32) and protracted vowels (n8) expressing the six basic emotions, interest, and a neutral emotional state. The impact of musical interests on the ability to distinguish between emotions or valence (on an axis positivity – neutrality – negativity) from voice samples was studied. Listening tests were conducted on location in five countries: Estonia, Finland, Russia, Sweden, and the USA with 50 randomly chosen participants (25 males and 25 females) in each country. The participants (total N = 250) completed a questionnaire eliciting their background information and musical interests. The responses in the listening test and the questionnaires were statistically analyzed. Voice quality parameters and the share of the emotions and valence identified correlated significantly with each other for both genders. The percentage of emotions and valence identified was clearly above the chance level in each of the five countries studied, however, the countries differed significantly from each other for the identified emotions and the gender of the speaker. The samples produced by females were identified significantly better than those produced by males. Listener's age was a significant variable. Only minor gender differences were found for the identification. Perceptual confusion in the listening test between emotions seemed to be dependent on their similar voice production types. Musical interests tended to have a positive effect on the identification of the emotions. The results also suggest that identifying emotions from speech samples may be easier for those listeners who share a similar language or cultural background with the speaker. PMID:23801972
A zeta potential value determines the aggregate's size of penta-substituted [60]fullerene derivatives in aqueous suspension whereas positive charge is required for toxicity against bacterial cells.

PubMed

Deryabin, Dmitry G; Efremova, Ludmila V; Vasilchenko, Alexey S; Saidakova, Evgeniya V; Sizova, Elena A; Troshin, Pavel A; Zhilenkov, Alexander V; Khakina, Ekaterina A; Khakina, Ekaterina E

2015-08-08

The cause-effect relationships between physicochemical properties of amphiphilic [60]fullerene derivatives and their toxicity against bacterial cells have not yet been clarified. In this study, we report how the differences in the chemical structure of organic addends in 10 originally synthesized penta-substituted [60]fullerene derivatives modulate their zeta potential and aggregate's size in salt-free and salt-added aqueous suspensions as well as how these physicochemical characteristics affect the bioenergetics of freshwater Escherichia coli and marine Photobacterium phosphoreum bacteria. Dynamic light scattering, laser Doppler micro-electrophoresis, agarose gel electrophoresis, atomic force microscopy, and bioluminescence inhibition assay were used to characterize the fullerene aggregation behavior in aqueous solution and their interaction with the bacterial cell surface, following zeta potential changes and toxic effects. Dynamic light scattering results indicated the formation of self-assembled [60]fullerene aggregates in aqueous suspensions. The measurement of the zeta potential of the particles revealed that they have different surface charges. The relationship between these physicochemical characteristics was presented as an exponential regression that correctly described the dependence of the aggregate's size of penta-substituted [60]fullerene derivatives in salt-free aqueous suspension from zeta potential value. The prevalence of DLVO-related effects was shown in salt-added aqueous suspension that decreased zeta potential values and affected the aggregation of [60]fullerene derivatives expressed differently for individual compounds. A bioluminescence inhibition assay demonstrated that the toxic effect of [60]fullerene derivatives against E. coli cells was strictly determined by their positive zeta potential charge value being weakened against P. phosphoreum cells in an aquatic system of high salinity. Atomic force microscopy data suggested that the activity of positively charged [60]fullerene derivatives against bacterial cells required their direct interaction. The following zeta potential inversion on the bacterial cells surface was observed as an early stage of toxicity mechanism that violates the membrane-associated energetic functions. The novel data about interrelations between physicochemical parameters and toxic properties of amphiphilic [60]fullerene derivatives make possible predicting their behavior in aquatic environment and their activity against bacterial cells.
Direct and inverse theorems on approximation by root functions of a regular boundary-value problem

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

Radzievskii, G V

2006-08-31

One considers the spectral problem x{sup (n)}+ Fx={lambda}x with boundary conditions U{sub j}(x)=0, j=1,...,n, for functions x on [0,1]. It is assumed that F is a linear bounded operator from the Hoelder space C{sup {gamma}}, {gamma} element of [0,n-1), into L{sub 1} and the U{sub j} are bounded linear functionals on C{sup k{sub j}} with k{sub j} element of {l_brace}0,...,n- 1{r_brace}. Let P{sub {zeta}} be the linear span of the root functions of the problem x{sup (n)}+ Fx={lambda}x, U{sub j}(x)=0, j=1,...,n, corresponding to the eigenvalues {lambda}{sub k} with |{lambda}{sub k}|<{zeta}{sup n}, and let E{sub {zeta}}(f){sub W{sub p}{sup l}}:=inf{l_brace}||f-g||{sub W{sub p}{supmore » l}}:g element of P{sub {zeta}}{r_brace}. An estimate of E{sub {zeta}}(f){sub W{sub p}{sup l}} is obtained in terms of the K-functional K({zeta}{sup -m},f;W{sub p}{sup l},W{sub p,U}{sup l+m}):= inf{l_brace}||f-x||{sub W{sub p}{sup l}}+{zeta}{sup -m}||x||{sub W{sub p}{sup l}{sup +}{sup m}}:x element of W{sub p}{sup l+m}, U{sub j}(x)=0 for k{sub j}
Tunnel determinants from spectral zeta functions. Instanton effects in quantum mechanics

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

Izquierdo, A. Alonso; Guilarte, J. Mateos

2014-07-23

In this paper we develop an spectral zeta function regularization procedure on the determinants of instanton fluctuation operators that describe the semi-classical order of tunnel effects between degenerate vacua.

Long-Term Memory for Affiliates in Ravens

PubMed Central

Boeckle, Markus; Bugnyar, Thomas

2012-01-01

Summary Complex social life requires individuals to recognize and remember group members [1] and, within those, to distinguish affiliates from nonaffiliates. Whereas long-term individual recognition has been demonstrated in some nonhuman animals [2–5], memory for the relationship valence to former group members has received little attention. Here we show that adult, pair-housed ravens not only respond differently to the playback of calls from previous group members and unfamiliar conspecifics but also discriminate between familiar birds according to the relationship valence they had to those subjects up to three years ago as subadult nonbreeders. The birds' distinction between familiar and unfamiliar individuals is reflected mainly in the number of calls, whereas their differentiation according to relationship valence is reflected in call modulation only. As compared to their response to affiliates, ravens responded to nonaffiliates by increasing chaotic parts of the vocalization and lowering formant spacing, potentially exaggerating the perceived impression of body size. Our findings indicate that ravens remember relationship qualities to former group members even after long periods of separation, confirming that their sophisticated social knowledge as nonbreeders is maintained into the territorial breeding stage. PMID:22521788
Valence evaluation with approaching or withdrawing cues: directly testing valence-arousal conflict theory.

PubMed

Wang, Yan Mei; Li, Ting; Li, Lin

2017-07-19

The valence-arousal conflict theory assumes that both valence and arousal will trigger approaching or withdrawing tendencies. It also predicts that the speed of processing emotional stimuli will depend on whether valence and arousal trigger conflicting or congruent motivational tendencies. However, most previous studies have provided evidence of the interaction between valence and arousal only, and have not provided direct proof of the interactive links between valence, arousal and motivational tendencies. The present study provides direct evidence for the relationship between approach-withdrawal tendencies and the valence-arousal conflict. In an empirical test, participants were instructed to judge the valence of emotional words after visual-spatial cues that appeared to be either approaching or withdrawing from participants. A three-way interaction (valence, arousal, and approach-withdrawal tendency) was observed such that the response time was shorter if participants responded to a negative high-arousal stimulus after a withdrawing cue, or to a positive low-arousal stimulus after an approaching cue. These findings suggest that the approach-withdrawal tendency indeed plays a crucial role in valence-arousal conflict, and that the effect depends on the congruency of valence, arousal and tendency at an early stage of processing.
Characterisation of the protein corona using tunable resistive pulse sensing: determining the change and distribution of a particle's surface charge.

PubMed

Blundell, Emma L C J; Healey, Matthew J; Holton, Elizabeth; Sivakumaran, Muttuswamy; Manstana, Sarabjit; Platt, Mark

2016-08-01

The zeta potential of the protein corona around carboxyl particles has been measured using tunable resistive pulse sensing (TRPS). A simple and rapid assay for characterising zeta potentials within buffer, serum and plasma is presented monitoring the change, magnitude and distribution of proteins on the particle surface. First, we measure the change in zeta potential of carboxyl-functionalised nanoparticles in solutions that contain biologically relevant concentrations of individual proteins, typically constituted in plasma and serum, and observe a significant difference in distributions and zeta values between room temperature and 37 °C assays. The effect is protein dependent, and the largest difference between the two temperatures is recorded for the γ-globulin protein where the mean zeta potential changes from -16.7 to -9.0 mV for 25 and 37 °C, respectively. This method is further applied to monitor particles placed into serum and/or plasma. A temperature-dependent change is again observed with serum showing a 4.9 mV difference in zeta potential between samples incubated at 25 and 37 °C; this shift was larger than that observed for samples in plasma (0.4 mV). Finally, we monitor the kinetics of the corona reorientation for particles initially placed into serum and then adding 5 % (V/V) plasma. The technology presented offers an interesting insight into protein corona structure and kinetics of formation measured in biologically relevant solutions, i.e. high protein, high salt levels, and its particle-by-particle analysis gives a measure of the distribution of particle zeta potential that may offer a better understanding of the behaviour of nanoparticles in solution. Graphical Abstract The relative velocity of a nanoparticle as it traverses a nanopore can be used to determine its zeta potential. Monitoring the changes in translocation speeds can therefore be used to follow changes to the surface chemistry/composition of 210 nm particles that were placed into protein rich solutions, serum and plasma. The particle-by-particle measurements allow the zeta potential and distribution of the particles to be characterised, illustrating the effects of protein concentration and temperature on the protein corona. When placed into a solution containing a mixture of proteins, the affinity of the protein to the particle's surface determines the corona structure, and is not dependent on the protein concentration.
Single-chain antigen recognition receptors that costimulate potent rejection of established experimental tumors.

PubMed

Haynes, Nicole M; Trapani, Joseph A; Teng, Michèle W L; Jackson, Jacob T; Cerruti, Loretta; Jane, Stephen M; Kershaw, Michael H; Smyth, Mark J; Darcy, Phillip K

2002-11-01

Tumor cells are usually weakly immunogenic as they largely express self-antigens and can down-regulate major histocompatability complex/peptide molecules and critical costimulatory ligands. The challenge for immunotherapies has been to provide vigorous immune effector cells that circumvent these tumor escape mechanisms and eradicate established tumors. One promising approach is to engineer T cells with single-chain antibody receptors, and since T cells require 2 distinct signals for optimal activation, we have compared the therapeutic efficacy of erbB2-reactive chimeric receptors that contain either T-cell receptor zeta (TCR-zeta) or CD28/TCR-zeta signaling domains. We have demonstrated that primary mouse CD8(+) T lymphocytes expressing the single-chain Fv (scFv)-CD28-zeta receptor have a greater capacity to secrete Tc1 cytokines, induce T-cell proliferation, and inhibit established tumor growth and metastases in vivo. The suppression of established tumor burden by cytotoxic T cells expressing the CD28/TCR-zeta chimera was critically dependent upon their interferon gamma (IFN-gamma) secretion. Our study has illustrated the practical advantage of engineering a T-cell signaling complex that codelivers CD28 activation, dependent only upon the tumor's expression of the appropriate tumor associated antigen.
Influence of the Dukhin and Reynolds numbers on the apparent zeta potential of granular porous media.

PubMed

Crespy, A; Bolève, A; Revil, A

2007-01-01

The Helmholtz-Smoluchowski (HS) equation is widely used to determine the apparent zeta potential of porous materials using the streaming potential method. We present a model able to correct this apparent zeta potential of granular media of the influence of the Dukhin and Reynolds numbers. The Dukhin number represents the ratio between the surface conductivity (mainly occurring in the Stern layer) and the pore water conductivity. The Reynolds number represents the ratio between inertial and viscous forces in the Navier-Stokes equation. We show here that the HS equation can lead to serious errors if it is used to predict the dependence of zeta potential on flow in the inertial laminar flow regime without taking into account these corrections. For indifferent 1:1 electrolytes (such as sodium chloride), we derived two simple scaling laws for the dependence of the streaming potential coupling coefficient (or the apparent zeta potential) on the Dukhin and Reynolds numbers. Our model is compared with a new set of experimental data obtained on glass bead packs saturated with NaCl solutions at different salinities and pH. We find fairly good agreement between the model and these experimental data.
Styles of Adaptation: The Impact of Frequency and Valence of Adaptation on Preventing Substance Use

ERIC Educational Resources Information Center

Hansen, William B.; Pankratz, Melinda M.; Dusenbury, Linda; Giles, Steven M.; Bishop, Dana C.; Albritton, Jordan; Albritton, Lauren P.; Strack, Joann

2013-01-01

Purpose: To be effective, evidence-based programs should be delivered as prescribed. This suggests that adaptations that deviate from intervention goals may limit a program's effectiveness. This study aims to examine the impact that number and quality of adaptations have on substance use outcomes. Design/methodology/approach: The authors examined…
Mind-Mindedness in Adult and Adolescent Mothers: Relations to Maternal Sensitivity and Infant Attachment

ERIC Educational Resources Information Center

Demers, Isabelle; Bernier, Annie; Tarabulsy, George M.; Provost, Marc A.

2010-01-01

This article examines the quality of maternal mind-mindedness among adult and adolescent mothers, using an assessment of the appropriateness and emotional valence of maternal mind-related comments while interacting with their infants. Twenty-nine adult mothers and 69 adolescent mothers participated in two assessments with their 18-month-old…
Human Amygdala Tracks a Feature-Based Valence Signal Embedded within the Facial Expression of Surprise.

PubMed

Kim, M Justin; Mattek, Alison M; Bennett, Randi H; Solomon, Kimberly M; Shin, Jin; Whalen, Paul J

2017-09-27

Human amygdala function has been traditionally associated with processing the affective valence (negative vs positive) of an emotionally charged event, especially those that signal fear or threat. However, this account of human amygdala function can be explained by alternative views, which posit that the amygdala might be tuned to either (1) general emotional arousal (activation vs deactivation) or (2) specific emotion categories (fear vs happy). Delineating the pure effects of valence independent of arousal or emotion category is a challenging task, given that these variables naturally covary under many circumstances. To circumvent this issue and test the sensitivity of the human amygdala to valence values specifically, we measured the dimension of valence within the single facial expression category of surprise. Given the inherent valence ambiguity of this category, we show that surprised expression exemplars are attributed valence and arousal values that are uniquely and naturally uncorrelated. We then present fMRI data from both sexes, showing that the amygdala tracks these consensus valence values. Finally, we provide evidence that these valence values are linked to specific visual features of the mouth region, isolating the signal by which the amygdala detects this valence information. SIGNIFICANCE STATEMENT There is an open question as to whether human amygdala function tracks the valence value of cues in the environment, as opposed to either a more general emotional arousal value or a more specific emotion category distinction. Here, we demonstrate the utility of surprised facial expressions because exemplars within this emotion category take on valence values spanning the dimension of bipolar valence (positive to negative) at a consistent level of emotional arousal. Functional neuroimaging data showed that amygdala responses tracked the valence of surprised facial expressions, unconfounded by arousal. Furthermore, a machine learning classifier identified particular visual features of the mouth region that predicted this valence effect, isolating the specific visual signal that might be driving this neural valence response. Copyright © 2017 the authors 0270-6474/17/379510-09$15.00/0.
Human Amygdala Represents the Complete Spectrum of Subjective Valence

PubMed Central

Jin, Jingwen; Zelano, Christina; Gottfried, Jay A.

2015-01-01

Although the amygdala is a major locus for hedonic processing, how it encodes valence information is poorly understood. Given the hedonic potency of odor stimuli and the amygdala's anatomical proximity to the peripheral olfactory system, we combined high-resolution fMRI with pattern-based multivariate techniques to examine how valence information is encoded in the amygdala. Ten human subjects underwent fMRI scanning while smelling 9 odorants that systematically varied in perceived valence. Representational similarity analyses showed that amygdala codes the entire dimension of valence, ranging from pleasantness to unpleasantness. This unidimensional representation significantly correlated with self-reported valence ratings but not with intensity ratings. Furthermore, within-trial valence representations evolved over time, prioritizing earlier differentiation of unpleasant stimuli. Together, these findings underscore the idea that both spatial and temporal features uniquely encode pleasant and unpleasant odor valence in the amygdala. The availability of a unidimensional valence code in the amygdala, distributed in both space and time, would create greater flexibility in determining the pleasantness or unpleasantness of stimuli, providing a mechanism by which expectation, context, attention, and learning could influence affective boundaries for guiding behavior. SIGNIFICANCE STATEMENT Our findings elucidate the mechanisms of affective processing in the amygdala by demonstrating that this brain region represents the entire valence dimension from pleasant to unpleasant. An important implication of this unidimensional valence code is that pleasant and unpleasant valence cannot coexist in the amygdale because overlap of fMRI ensemble patterns for these two valence extremes obscures their unique content. This functional architecture, whereby subjective valence maps onto a pattern continuum between pleasant and unpleasant poles, offers a robust mechanism by which context, expectation, and experience could alter the set-point for valence-based behavior. Finally, identification of spatial and temporal differentiation of valence in amygdala may shed new insights into individual differences in emotional responding, with potential relevance for affective disorders. PMID:26558785
The Effects of Valence and Arousal on Associative Working Memory and Long-Term Memory

PubMed Central

Bergmann, Heiko C.; Rijpkema, Mark; Fernández, Guillén; Kessels, Roy P. C.

2012-01-01

Background Emotion can either facilitate or impair memory, depending on what, when and how memory is tested and whether the paradigm at hand is administered as a working memory (WM) or a long-term memory (LTM) task. Whereas emotionally arousing single stimuli are more likely to be remembered, memory for the relationship between two or more component parts (i.e., relational memory) appears to be worse in the presence of emotional stimuli, at least in some relational memory tasks. The current study investigated the effects of both valence (neutral vs. positive vs. negative) and arousal (low vs. high) in an inter-item WM binding and LTM task. Methodology/Principal Findings A five-pair delayed-match-to-sample (WM) task was administered. In each trial, study pairs consisted of one neutral picture and a second picture of which the emotional qualities (valence and arousal levels) were manipulated. These pairs had to be remembered across a delay interval of 10 seconds. This was followed by a probe phase in which five pairs were tested. After completion of this task, an unexpected single item LTM task as well as an LTM task for the pairs was assessed. As expected, emotional arousal impaired WM processing. This was reflected in lower accuracy for pairs consisting of high-arousal pictures compared to pairs with low-arousal pictures. A similar effect was found for the associative LTM task. However, the arousal effect was modulated by affective valence for the WM but not the LTM task; pairs with low-arousal negative pictures were not processed as well in the WM task. No significant differences were found for the single-item LTM task. Conclusions/Significance The present study provides additional evidence that processes during initial perception/encoding and post-encoding processes, the time interval between study and test and the interaction between valence and arousal might modulate the effects of “emotion” on associative memory. PMID:23300724
A simple proof of a lemma of Coleman

NASA Astrophysics Data System (ADS)

Saikia, A.

2001-03-01

Let p be an odd prime. The results in this paper concern the units of the infinite extension of Qp generated by all p-power roots of unity. Letformula herewhere [mu]pn+1 denote the pn+1th roots of 1. Let [script p]n be the maximal ideal of the ring of integers of [Phi]n and let Un be the units congruent to 1 modulo [script p]n.Let [zeta]n be a fixed primitive pn+1th root of unity such that [zeta]pn = [zeta]n [minus sign] 1, [for all]n [gt-or-equal, slanted] 1. Put [pi]n = [zeta]n [minus sign] 1. Thus [pi]n is a local parameter for [Phi]n. Letformula hereKummer already exploited the obvious fact that every u0 [set membership] U0 can be written in the formformula herewhere f0(T) is some power series in Zp[[T
Genetically engineered T cells to target EGFRvIII expressing glioblastoma.

PubMed

Bullain, Szofia S; Sahin, Ayguen; Szentirmai, Oszkar; Sanchez, Carlos; Lin, Ning; Baratta, Elizabeth; Waterman, Peter; Weissleder, Ralph; Mulligan, Richard C; Carter, Bob S

2009-09-01

Glioblastoma remains a significant therapeutic challenge, warranting further investigation of novel therapies. We describe an immunotherapeutic strategy to treat glioblastoma based on adoptive transfer of genetically modified T-lymphocytes (T cells) redirected to kill EGFRvIII expressing gliomas. We constructed a chimeric immune receptor (CIR) specific to EGFRvIII, (MR1-zeta). After in vitro selection and expansion, MR1-zeta genetically modified primary human T-cells specifically recognized EGFRvIII-positive tumor cells as demonstrated by IFN-gamma secretion and efficient tumor lysis compared to control CIRs defective in EGFRvIII binding (MRB-zeta) or signaling (MR1-delzeta). MR1-zeta expressing T cells also inhibited EGFRvIII-positive tumor growth in vivo in a xenografted mouse model. Successful targeting of EGFRvIII-positive tumors via adoptive transfer of genetically modified T cells may represent a new immunotherapy strategy with great potential for clinical applications.
A Multidimensional Measure of Work Valences

ERIC Educational Resources Information Center

Porfeli, Erik J.; Lee, Bora; Weigold, Ingrid K.

2012-01-01

Work valence is derived from expectancy-valence theory and the literature on children's vocational development and is presumed to be a general appraisal of work that emerges during the childhood period. Work valence serves to promote and inhibit the motivation and tasks associated with vocational development. A measure of work valence, composed of…
Two-color infrared detector

DOEpatents

Klem, John F; Kim, Jin K

2014-05-13

A two-color detector includes a first absorber layer. The first absorber layer exhibits a first valence band energy characterized by a first valence band energy function. A barrier layer adjoins the first absorber layer at a first interface. The barrier layer exhibits a second valence band energy characterized by a second valence band energy function. The barrier layer also adjoins a second absorber layer at a second interface. The second absorber layer exhibits a third valence band energy characterized by a third valence band energy function. The first and second valence band energy functions are substantially functionally or physically continuous at the first interface and the second and third valence band energy functions are substantially functionally or physically continuous at the second interface.
Norbornane: An investigation into its valence electronic structure using electron momentum spectroscopy, and density functional and Green's function theories

NASA Astrophysics Data System (ADS)

Knippenberg, S.; Nixon, K. L.; Brunger, M. J.; Maddern, T.; Campbell, L.; Trout, N.; Wang, F.; Newell, W. R.; Deleuze, M. S.; Francois, J.-P.; Winkler, D. A.

2004-12-01

We report on the results of an exhaustive study of the valence electronic structure of norbornane (C7H12), up to binding energies of 29 eV. Experimental electron momentum spectroscopy and theoretical Green's function and density functional theory approaches were all utilized in this investigation. A stringent comparison between the electron momentum spectroscopy and theoretical orbital momentum distributions found that, among all the tested models, the combination of the Becke-Perdew functional and a polarized valence basis set of triple-ζ quality provides the best representation of the electron momentum distributions for all of the 20 valence orbitals of norbornane. This experimentally validated quantum chemistry model was then used to extract some chemically important properties of norbornane. When these calculated properties are compared to corresponding results from other independent measurements, generally good agreement is found. Green's function calculations with the aid of the third-order algebraic diagrammatic construction scheme indicate that the orbital picture of ionization breaks down at binding energies larger than 22.5 eV. Despite this complication, they enable insights within 0.2 eV accuracy into the available ultraviolet photoemission and newly presented (e,2e) ionization spectra, except for the band associated with the 1a2-1 one-hole state, which is probably subject to rather significant vibronic coupling effects, and a band at ˜25 eV characterized by a momentum distribution of "s-type" symmetry, which Green's function calculations fail to reproduce. We note the vicinity of the vertical double ionization threshold at ˜26 eV.
Dispersion stability of a ceramic glaze achieved through ionic surfactant adsorption.

PubMed

Panya, Preecha; Arquero, Orn-anong; Franks, George V; Wanless, Erica J

2004-11-01

The adsorption of cetylpyridinium chloride (CPC) and sodium dodecylbenzenesulfonate (SDBS) onto a ceramic glaze mixture composed of limestone, feldspar, quartz, and kaolin has been investigated. Both adsorption isotherms and the average particle zeta potential have been studied in order to understand the suspension stability as a function of pH, ionic strength, and surfactant concentration. The adsorption of small amounts of cationic CPC onto the primarily negatively charged surfaces of the particles at pH 7 and 9 results in strong attraction and flocculation due to hydrophobic interactions. At higher surfactant concentrations a zeta potential of more than +60 mV results from the bilayered adsorbed surfactant, providing stability at salt concentrations < or = 0.01 M. At 0.1 M salt poor stability results despite substantial zeta potential values. Three mechanisms for SDBS adsorption have been identified. When anionic SDBS monomers either adsorb by electrostatic interactions with the few positive surface sites at high pH or adsorb onto like charged negative surface sites due to dispersion or hydrophobic interactions, the magnitude of the negative zeta potential increases slightly. At pH 9 this increase is enough to promote stability with an average zeta potential of more than -55 mV, whereas at pH 7 the zeta potential is lower at about -45 mV. The stability of suspensions at pH 7 is additionally due to steric repulsion caused by the adsorption of thick layers of neutrally charged Ca(DBS)2 complexes created when the surfactant interacts with dissolved calcium ions from the calcium carbonate component.
Low-lying electronic states of Li 2+ and Li 2-

NASA Astrophysics Data System (ADS)

Konowalow, Daniel D.; Fish, James L.

1984-02-01

Potential curves for the eight lowest lying electronic states of Li2+ and the two lowest-lying states of Li2- are obtained by valence configuration calculations which-utilize an effective core potential. The calculated ionization potential of the ground state of Li2 is found to b. 5.16 eV and its electron affinity is 0.429 eV. Both values are in excellent agreement with recent experimental values and with value deduced from other high quality ab initio quantum mechanical treatments. When our potential curve for the Li2+(12Σg+ state, is corrected for the core-valence correlation error we obtain spectroscopic constants which agree nicely with the experimental values of Bernheim, Gold and Tipton (BGT). For example, we findDe = 10460 ± 140 cm-1 while BGT reportDe = 10469 ± 6 cm-1.
Valenced cues and contexts have different effects on event-based prospective memory.

PubMed

Graf, Peter; Yu, Martin

2015-01-01

This study examined the separate influence and joint influences on event-based prospective memory task performance due to the valence of cues and the valence of contexts. We manipulated the valence of cues and contexts with pictures from the International Affective Picture System. The participants, undergraduate students, showed higher performance when neutral compared to valenced pictures were used for cueing prospective memory. In addition, neutral pictures were more effective as cues when they occurred in a valenced context than in the context of neutral pictures, but the effectiveness of valenced cues did not vary across contexts that differed in valence. The finding of an interaction between cue and context valence indicates that their respective influence on event-based prospective memory task performance cannot be understood in isolation from each other. Our findings are not consistent with by the prevailing view which holds that the scope of attention is broadened and narrowed, respectively, by positively and negatively valenced stimuli. Instead, our findings are more supportive of the recent proposal that the scope of attention is determined by the motivational intensity associated with valenced stimuli. Consistent with this proposal, we speculate that the motivational intensity associated with different retrieval cues determines the scope of attention, that contexts with different valence values determine participants' task engagement, and that prospective memory task performance is determined jointly by attention scope and task engagement.
Valenced Cues and Contexts Have Different Effects on Event-Based Prospective Memory

PubMed Central

Graf, Peter; Yu, Martin

2015-01-01

This study examined the separate influence and joint influences on event-based prospective memory task performance due to the valence of cues and the valence of contexts. We manipulated the valence of cues and contexts with pictures from the International Affective Picture System. The participants, undergraduate students, showed higher performance when neutral compared to valenced pictures were used for cueing prospective memory. In addition, neutral pictures were more effective as cues when they occurred in a valenced context than in the context of neutral pictures, but the effectiveness of valenced cues did not vary across contexts that differed in valence. The finding of an interaction between cue and context valence indicates that their respective influence on event-based prospective memory task performance cannot be understood in isolation from each other. Our findings are not consistent with by the prevailing view which holds that the scope of attention is broadened and narrowed, respectively, by positively and negatively valenced stimuli. Instead, our findings are more supportive of the recent proposal that the scope of attention is determined by the motivational intensity associated with valenced stimuli. Consistent with this proposal, we speculate that the motivational intensity associated with different retrieval cues determines the scope of attention, that contexts with different valence values determine participants’ task engagement, and that prospective memory task performance is determined jointly by attention scope and task engagement. PMID:25647484
Character Disposition and Behavior Type: Influences of Valence on Preschool Children's Social Judgments

ERIC Educational Resources Information Center

Jones, Elaine F.; Tobias, Marvin; Pauley, Danielle; Thomson, Nicole Renick; Johnson, Shawana Lewis

2009-01-01

The authors studied the influences of valence information on preschool children's (n = 47) moral (good or bad), liking (liked or disliked by a friend), and consequence-of-behavior (reward or punishment) judgments. The authors presented 8 scenarios describing the behavior valence, positive valence (help, share), negative valence (verbal insult,…

The transition from the open minimum to the ring minimum on the ground state and on the lowest excited state of like symmetry in ozone: A configuration interaction study

DOE PAGES

Theis, Daniel; Ivanic, Joseph; Windus, Theresa L.; ...

2016-03-10

The metastable ring structure of the ozone 1 1A 1 ground state, which theoretical calculations have shown to exist, has so far eluded experimental detection. An accurate prediction for the energy difference between this isomer and the lower open structure is therefore of interest, as is a prediction for the isomerization barrier between them, which results from interactions between the lowest two 1A 1 states. In the present work, valence correlated energies of the 1 1A 1 state and the 2 1A 1 state were calculated at the 1 1A 1 open minimum, the 1 1A 1 ring minimum, themore » transition state between these two minima, the minimum of the 2 1A 1 state, and the conical intersection between the two states. The geometries were determined at the full-valence multi-configuration self-consistent-field level. Configuration interaction (CI) expansions up to quadruple excitations were calculated with triple-zeta atomic basis sets. The CI expansions based on eight different reference configuration spaces were explored. To obtain some of the quadruple excitation energies, the method of CorrelationEnergy Extrapolation by Intrinsic Scaling was generalized to the simultaneous extrapolation for two states. This extrapolation method was shown to be very accurate. On the other hand, none of the CI expansions were found to have converged to millihartree (mh) accuracy at the quadruple excitation level. The data suggest that convergence to mh accuracy is probably attained at the sextuple excitation level. On the 11A1 state, the present calculations yield the estimates of (ring minimum—open minimum) ~45–50 mh and (transition state—open minimum) ~85–90 mh. For the (2 1A 1– 1A 1) excitation energy, the estimate of ~130–170 mh is found at the open minimum and 270–310 mh at the ring minimum. At the transition state, the difference (2 1A 1– 1A 1) is found to be between 1 and 10 mh. The geometry of the transition state on the 11A1 surface and that of the minimum on the 2 1A 1 surface nearly coincide. More accurate predictions of the energydifferences also require CI expansions to at least sextuple excitations with respect to the valence space. Furthermore, for every wave function considered, the omission of the correlations of the 2s oxygen orbitals, which is a widely used approximation, was found to cause errors of about ±10 mh with respect to the energy differences.« less
The transition from the open minimum to the ring minimum on the ground state and on the lowest excited state of like symmetry in ozone: A configuration interaction study

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

Theis, Daniel; Ivanic, Joseph; Windus, Theresa L.

The metastable ring structure of the ozone 1 1A 1 ground state, which theoretical calculations have shown to exist, has so far eluded experimental detection. An accurate prediction for the energy difference between this isomer and the lower open structure is therefore of interest, as is a prediction for the isomerization barrier between them, which results from interactions between the lowest two 1A 1 states. In the present work, valence correlated energies of the 1 1A 1 state and the 2 1A 1 state were calculated at the 1 1A 1 open minimum, the 1 1A 1 ring minimum, themore » transition state between these two minima, the minimum of the 2 1A 1 state, and the conical intersection between the two states. The geometries were determined at the full-valence multi-configuration self-consistent-field level. Configuration interaction (CI) expansions up to quadruple excitations were calculated with triple-zeta atomic basis sets. The CI expansions based on eight different reference configuration spaces were explored. To obtain some of the quadruple excitation energies, the method of CorrelationEnergy Extrapolation by Intrinsic Scaling was generalized to the simultaneous extrapolation for two states. This extrapolation method was shown to be very accurate. On the other hand, none of the CI expansions were found to have converged to millihartree (mh) accuracy at the quadruple excitation level. The data suggest that convergence to mh accuracy is probably attained at the sextuple excitation level. On the 11A1 state, the present calculations yield the estimates of (ring minimum—open minimum) ~45–50 mh and (transition state—open minimum) ~85–90 mh. For the (2 1A 1– 1A 1) excitation energy, the estimate of ~130–170 mh is found at the open minimum and 270–310 mh at the ring minimum. At the transition state, the difference (2 1A 1– 1A 1) is found to be between 1 and 10 mh. The geometry of the transition state on the 11A1 surface and that of the minimum on the 2 1A 1 surface nearly coincide. More accurate predictions of the energydifferences also require CI expansions to at least sextuple excitations with respect to the valence space. Furthermore, for every wave function considered, the omission of the correlations of the 2s oxygen orbitals, which is a widely used approximation, was found to cause errors of about ±10 mh with respect to the energy differences.« less
Zeta Function Regularization in Casimir Effect Calculations and J. S. DOWKER's Contribution

NASA Astrophysics Data System (ADS)

Elizalde, Emilio

2012-06-01

A summary of relevant contributions, ordered in time, to the subject of operator zeta functions and their application to physical issues is provided. The description ends with the seminal contributions of Stephen Hawking and Stuart Dowker and collaborators, considered by many authors as the actual starting point of the introduction of zeta function regularization methods in theoretical physics, in particular, for quantum vacuum fluctuation and Casimir effect calculations. After recalling a number of the strengths of this powerful and elegant method, some of its limitations are discussed. Finally, recent results of the so-called operator regularization procedure are presented.
Zeta Function Regularization in Casimir Effect Calculations and J. S. Dowker's Contribution

NASA Astrophysics Data System (ADS)

Elizalde, Emilio

2012-07-01

A summary of relevant contributions, ordered in time, to the subject of operator zeta functions and their application to physical issues is provided. The description ends with the seminal contributions of Stephen Hawking and Stuart Dowker and collaborators, considered by many authors as the actual starting point of the introduction of zeta function regularization methods in theoretical physics, in particular, for quantum vacuum fluctuation and Casimir effect calculations. After recalling a number of the strengths of this powerful and elegant method, some of its limitations are discussed. Finally, recent results of the so called operator regularization procedure are presented.
Two Dimensional Dendritic Crystal Growth for Weak Undercooling

NASA Technical Reports Server (NTRS)

Tanveer, S.; Kunka, M. D.; Foster, M. R.

1999-01-01

We discuss the framework and issues brought forth in the recent work of Kunka, Foster & Tanveer, which incorporates small but nonzero surface energy effects in the nonlinear dynamics of a conformal mapping function z(zeta,t) that maps the upper-half zeta plane into the exterior of a dendrite. In this paper, surface energy effects on the singularities of z(zeta,t) in the lower-half plane were examined, as they move toward the real axis from below. In particular, the dynamics of complex singularities manifests itself in predictions on nature and growth rate of disturbances, as well as of coarsening.
Investigation of the influence of the zeta-potential on the filtration rate in the presence of collectors

NASA Technical Reports Server (NTRS)

Provirnina, E. V.; Barbin, M. B.

1984-01-01

The value of the zeta-potential does not have an explicit effect, which is expressed by a simple math correlation, on filtration rate when a solution of the tested collector is filtered through a cake prepared under standard conditions from the examined particulate material. The zeta-potential measurements and filtration tests were carried out on silica and galena with solutions contg. a cationic container ANP and Et xanthane, resp. at PH = 6.5, varying concentration of the agent (0-2500 g/ton), and under a vacuum of 100 to 600 mm Hg.
The adsorption of cationic and amphoteric copolymers on glass surfaces: zeta potential measurements, adsorption isotherm determination, and FT Raman characterization.

PubMed

Tartakovsky, Alla; Drutis, Dane M; Carnali, Joseph O

2003-07-15

The adsorption of cationic and amphoteric copolymers onto controlled pore glass (CPG) powders has been studied by measurement of the powder particle zeta (zeta) potential, by determination of the adsorption isotherm, and by FT Raman measurements of the polymer-coated powder. The cationic polymers consisted chiefly of homopolymers of dimethyldiallylammonium chloride (DMDAAC) or copolymers of DMDAAC and acrylamide. The amphoteric polymers studied included copolymers of DMDAAC and acrylic acid. The comonomer ratio was varied to explore the dependence of cationic charge density on the extent and effect of adsorption. Both types of polymers adsorb onto the anionic glass surface via an ion-exchange mechanism. Consequently, a correspondingly higher mass of a low-charge-density copolymer adsorbs than of a cationic homopolymer. The presence of the anionic portion in the amphoteric polymers does not significantly alter this picture. The zeta potential, however, reflects the overall nature of the polymer. Cationic polymers effectively neutralize the glass surface, while amphoteric polymers leave the zeta potential net negative. Adsorption isotherms, determined via the depletion technique using colloidal titration, were used to "calibrate" a FT Raman method. The latter was used to determined the amount of adsorbed polymer under solution conditions in which colloidal titration could not be performed.
High-concentration zeta potential measurements using light-scattering techniques

PubMed Central

Kaszuba, Michael; Corbett, Jason; Watson, Fraser Mcneil; Jones, Andrew

2010-01-01

Zeta potential is the key parameter that controls electrostatic interactions in particle dispersions. Laser Doppler electrophoresis is an accepted method for the measurement of particle electrophoretic mobility and hence zeta potential of dispersions of colloidal size materials. Traditionally, samples measured by this technique have to be optically transparent. Therefore, depending upon the size and optical properties of the particles, many samples will be too concentrated and will require dilution. The ability to measure samples at or close to their neat concentration would be desirable as it would minimize any changes in the zeta potential of the sample owing to dilution. However, the ability to measure turbid samples using light-scattering techniques presents a number of challenges. This paper discusses electrophoretic mobility measurements made on turbid samples at high concentration using a novel cell with reduced path length. Results are presented on two different sample types, titanium dioxide and a polyurethane dispersion, as a function of sample concentration. For both of the sample types studied, the electrophoretic mobility results show a gradual decrease as the sample concentration increases and the possible reasons for these observations are discussed. Further, a comparison of the data against theoretical models is presented and discussed. Conclusions and recommendations are made from the zeta potential values obtained at high concentrations. PMID:20732896
Synthesis, bioactivity and zeta potential investigations of chlorine and fluorine substituted hydroxyapatite.

PubMed

Fahami, Abbas; Beall, Gary W; Betancourt, Tania

2016-02-01

Chlorine and fluorine substituted hydroxyapatites (HA-Cl-F) with different degrees of ion replacement were successfully prepared by the one step mechanochemical activation method. X-ray diffraction (XRD) and FT-IR spectra indicated that substitution of these anions in milled powders resulted in the formation of pure hydroxyapatite phase except for the small observed change in the lattice parameters and unit cell volumes of the resultant hydroxyapatite. Microscopic observations showed that the milled product had a cluster-like structure made up of polygonal and spherical particles with an average particle size of approximately ranged from 20±5 to 70±5nm. The zeta potential of milled samples was performed at three different pH (5, 7.4, and 9). The obtained zeta potential values were negative for all three pH values. Negative zeta potential was described to favor osseointegration, apatite nucleation, and bone regeneration. The bioactivity of samples was investigated on sintered pellets soaked in simulated body fluid (SBF) solution and apatite crystals formed on the surface of the pellets after being incubated for 14days. Zeta potential analysis and bioactivity experiment suggested that HA-Cl-F will lead to the formation of new apatite particles and therefore be a potential implant material. Copyright © 2015 Elsevier B.V. All rights reserved.
Investigating the time-dependent zeta potential of wood surfaces.

PubMed

Muff, Livius F; Luxbacher, Thomas; Burgert, Ingo; Michen, Benjamin

2018-05-15

This work reports on streaming potential measurements through natural capillaries in wood and investigates the cause of a time-dependent zeta potential measured during the equilibration of wood cell-walls with an electrolyte solution. For the biomaterial, this equilibration phase takes several hours, which is much longer than for many other materials that have been characterized by electrokinetic measurements. During this equilibration phase the zeta potential magnitude is decaying due to two parallel mechanisms: (i) the swelling of the cell-wall which causes a dimensional change reducing the charge density at the capillary interface; (ii) the transport of ions from the electrolyte solution into the permeable cell-wall which alters the electrical potential at the interface by internal charge compensation. The obtained results demonstrate the importance of equilibration kinetics for an accurate determination of the zeta potential, especially for materials that interact strongly with the measurement electrolyte. Moreover, the change in zeta potential with time can be correlated with the bulk swelling of wood if the effect of electrolyte ion diffusion is excluded. This study shows the potential of streaming potential measurements of wood, and possibly of other hygroscopic and nanoporous materials, to reveal kinetic information about their interaction with liquids, such as swelling and ion uptake. Copyright © 2018 Elsevier Inc. All rights reserved.
Potassium ferrate treatment of RFETS` contaminated groundwater

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

NONE

1995-01-01

The potassium ferrate treatment study of Rocky Flats Environmental Technology Site (RFETS) groundwater was performed under the Sitewide Treatability Studies Program (STSP). This study was undertaken to determine the effectiveness of potassium ferrate in a water treatment system to remove the contaminants of concern (COCS) from groundwater at the RFETS. Potassium ferrate is a simple salt where the iron is in the plus six valence state. It is the iron at the plus six valence state (Fe {sup +6}) that makes it an unique water treatment chemical, especially in waters where the pH is greater than seven. In basic solutionsmore » where the solubility of the oxides/hydroxides of many of the COCs is low, solids are formed as the pH is raised. By using ferrate these solids are agglomerated so they can be effectively removed by sedimentation in conventional water treatment equipment. The objective of this study was to determine the quality of water after treatment with potassium ferrate and to determine if the Colorado Water Quality Control Commission (CWQCC) discharge limits for the COCs listed in Table 1.0-1 could be met. Radionuclides in the groundwater were of special concern.« less
The semantics of emotion in false memory.

PubMed

Brainerd, C J; Bookbinder, S H

2018-03-26

The emotional valence of target information has been a centerpiece of recent false memory research, but in most experiments, it has been confounded with emotional arousal. We sought to clarify the results of such research by identifying a shared mathematical relation between valence and arousal ratings in commonly administered normed materials. That relation was then used to (a) decide whether arousal as well as valence influences false memory when they are confounded and to (b) determine whether semantic properties that are known to affect false memory covary with valence and arousal ratings. In Study 1, we identified a quadratic relation between valence and arousal ratings of words and pictures that has 2 key properties: Arousal increases more rapidly as function of negative valence than positive valence, and hence, a given level of negative valence is more arousing than the same level of positive valence. This quadratic function predicts that if arousal as well as valence affects false memory when they are confounded, false memory data must have certain fine-grained properties. In Study 2, those properties were absent from norming data for the Cornell-Cortland Emotional Word Lists, indicating that valence but not arousal affects false memory in those norms. In Study 3, we tested fuzzy-trace theory's explanation of that pattern: that valence ratings are positively related to semantic properties that are known to increase false memory, but arousal ratings are not. (PsycINFO Database Record (c) 2018 APA, all rights reserved).
Photodissociation of N2O: triplet states and triplet channel.

PubMed

Schinke, R; Schmidt, J A; Johnson, M S

2011-11-21

The role of triplet states in the UV photodissociation of N(2)O is investigated by means of quantum mechanical wave packet calculations. Global potential energy surfaces are calculated for the lowest two (3)A' and the lowest two (3)A'' states at the multi-reference configuration interaction level of electronic structure theory using the augmented valence quadruple zeta atomic basis set. Because of extremely small transition dipole moments with the ground electronic state, excitation of the triplet states has only a marginal effect on the far red tail of the absorption cross section. The calculations do not show any hint of an increased absorption around 280 nm as claimed by early experimental studies. The peak observed in several electron energy loss spectra at 5.4 eV is unambiguously attributed to the lowest triplet state 1(3)A'. Excitation of the 2(1)A' state and subsequent transition to the repulsive branch of the 2(3)A'' state at intermediate NN-O separations, promoted by spin-orbit coupling, is identified as the main pathway to the N(2)((1)Σ(g)(+))+O((3)P) triplet channel. The yield, determined in two-state wave packet calculations employing calculated spin-orbit matrix elements, is 0.002 as compared to 0.005 ± 0.002 measured by Nishida et al. [J. Phys. Chem. A 108, 2451 (2004)].
Potential energy surface and rate coefficients of protonated cyanogen (HNCCN+) induced by collision with helium (He) at low temperature

NASA Astrophysics Data System (ADS)

Bop, Cheikh T.; Faye, N. AB; Hammami, K.

2018-05-01

Nitriles have been identified in space. Accurately modeling their abundance requires calculations of collisional rate coefficients. These data are obtained by first computing potential energy surfaces (PES) and cross-sections using high accurate quantum methods. In this paper, we report the first interaction potential of the HNCCN+-He collisional system along with downward rate coefficients among the 11 lowest rotational levels of HNCCN+. The PES was calculated using the explicitly correlated coupled cluster approach with simple, second and non-iterative triple excitation (CCSD(T)-F12) in conjunction with the augmented-correlation consistent-polarized valence triple zeta (aug-cc-pVTZ) Gaussian basis set. It presents two local minima of ˜283 and ˜136 cm-1, the deeper one is located at R = 9 a0 towards the H end (HeṡṡṡHNCCN+). Using the so-computed PES, we calculated rotational cross-sections of HNCCN+ induced by collision with He for energies ranging up to 500 cm-1 with the exact quantum mechanical close coupling (CC) method. Downward rate coefficients were then worked out by thermally averaging the cross-sections at low temperature (T ≤ 100 K). The discussion on propensity rules showed that the odd Δj transitions were favored. The results obtained in this work may be crucially needed to accurately model the abundance of cyanogen and its protonated form in space.
Highly Efficient Interception and Precipitation of Uranium(VI) from Aqueous Solution by Iron-Electrocoagulation Combined with Cooperative Chelation by Organic Ligands.

PubMed

Li, Peng; Zhun, Bao; Wang, Xuegang; Liao, PingPing; Wang, Guanghui; Wang, Lizhang; Guo, Yadan; Zhang, Weimin

2017-12-19

A new strategy combining iron-electrocoagulation and organic ligands (OGLs) cooperative chelation was proposed to screen and precipitate low concentrations (0-18.52 μmol/L) of uranium contaminant in aqueous solution. We hypothesized that OGLs with amino, hydroxyl, and carboxyl groups hydrophobically/hydrophilically would realize precuring of uranyl ion at pH < 3.0, and the following iron-electrocoagulation would achieve faster and more efficient uranium precipitation. Experimentally, the strategy demonstrated highly efficient uranium(VI) precipitation efficiency, especially with hydrophilic macromolecular OGLs. The uranium removal efficiency at optimized experimental condition reached 99.65%. The decrease of zeta potential and the lattice enwrapping between U-OGLs chelates and flocculation precursor were ascribed to the enhanced uranium precipitation activity. Uranium was precipitated as oxides of U(VI) or higher valences that were easily captured in aggregated micelles under low operation current potential. The actual uranium tailing wastewater was treated, and a satisfied uranium removal efficiency of 99.02% was discovered. After elution of the precipitated flocs, a concentrated uranium solution (up to 106.52 μmol/L) with very few other metallic impurities was obtained. Therefore, the proposed strategy could remove uranium and concentrate it concurrently. This work could provide new insights into the purification and recovery of uranium from aqueous solutions in a cost-effective and environmentally friendly process.
Evanescent-wave particle velocimetry measurements of zeta-potentials in fused-silica microchannels.

PubMed

Cevheri, Necmettin; Yoda, Minami

2013-07-01

The wall ζ-potential ζ(w), the potential at the shear plane of the electric double layer, depends on the properties of the BGE solution such as the valence and type of electrolyte, the pH and the ionic strength. Most of the methods estimate ζ(w) from measurements of the EOF velocity magnitude ueo , usually spatially averaged over the entire capillary. In these initial studies, evanescent-wave particle velocimetry was used to measure ueo in steady EOF for a variety of monovalent aqueous solutions to evaluate the effect of small amounts of divalent cations, as well as the pH and ionic strength of BGE solutions. In brief, the magnitude of the EOF velocity of NaCl-NaOH and borate buffer-NaOH solutions was estimated from the measured velocities of radius α = 104 nm fluorescent polystyrene particles in 33 μm fused-silica microchannels. The particle ζ-potentials were measured separately using laser-Doppler micro-electrophoresis; ζ(w) was then determined from ueo. The results suggest that evanescent-wave particle velocimetry can be used to estimate ζ(w) for a variety of BGE solutions, and that it can be used in the future to estimate local wall ζ-potential, and hence spatial variations in ζ(w). © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Applications of Quantum Chemistry to the Study of Carbon Nanotubes

NASA Technical Reports Server (NTRS)

Jaffe, Richard L.

2005-01-01

For several years, scientists at NASA Ames have been studying the properties of carbon nanotubes using various experimental and computational methods. In this talk, I will compare different strategies for using quantum chemistry calculations to describe the electronic structure, deformation and chemical functionalization of single wall carbon nanotubes (SWNT) and the physisorption of small molecules on nanotube surfaces. The SWNT can be treated as an infinite (periodic) or finite length carbon cylinder or as a polycyclic aromatic hydrocarbon (PAH) molecule with an imposed curvature maintained by external constraints (as if it were cut out of the SWNT surface). Calculations are carried out using DFT and MP2 methods and a variety of atomic orbital basis sets from minimal (STO-3G) to valence triple zeta. The optimal approach is based on the particular SWNT property of interest. Examples to be discussed include: nanotube fluorination and other functionalization reactions; coating of nanotubes by water vapor and low-molecular weight organic molecules; and the nature of the interface between SWNT and liquids such as water and amines. In many cases, the quantum chemistry calculations are used to parameterize or validate force fields for molecular dynamics simulations. The results of these calculations have helped explain experimental data and contributed to the design of novel materials and sensors based on carbon nanotubes. Some of this research is described in the following papers:
Study of average valence and valence electron distribution of several oxides using X-ray photoelectron spectra

NASA Astrophysics Data System (ADS)

Ding, L. L.; Wu, L. Q.; Ge, X. S.; Du, Y. N.; Qian, J. J.; Tang, G. D.; Zhong, W.

2018-06-01

X-ray photoelectron spectra of the O 1s electrons of MnFe2O4, ZnFe2O4, ZnO, and CaO were used to estimate the average valence, ValO, of the oxygen anions in these samples. The absolute values of ValO for these samples were found to be distinctly lower than the traditional value of 2.0, suggesting that the total average valences of the cations are also lower than the conventionally accepted values owing to valence balance in the compounds. In addition, we analyzed the valence band spectra of the samples and investigated the distribution characteristics of the valence electrons.
Pressure dependence of Ce valence in CeRhIn 5

DOE PAGES

Brubaker, Z. E.; Stillwell, R. L.; Chow, P.; ...

2017-12-14

We have studied the Ce valence as a function of pressure in CeRhIn5 at 300 K and at 22 K using x-ray absorption spectroscopy in partial fluorescent yield mode. At room temperature, we found no detectable change in Ce valence greater than 0.01 up to a pressure of 5.5 GPa. At 22 K, the valence remains robust against pressure below 6 GPa, in contrast to the predicted valence crossover at P = 2.35 GPa. In conclusion, this work yields an upper limit for the change in Ce-valence and suggests that the critical valence fluctuation scenario, in its current form, ismore » unlikely.« less
Chitosan-magnesium aluminum silicate composite dispersions: characterization of rheology, flocculate size and zeta potential.

PubMed

Khunawattanakul, Wanwisa; Puttipipatkhachorn, Satit; Rades, Thomas; Pongjanyakul, Thaned

2008-03-03

Composite dispersions of chitosan (CS), a positively charged polymer, and magnesium aluminum silicate (MAS), a negatively charged clay, were prepared and rheology, flocculate size and zeta potential of the CS-MAS dispersions were investigated. High and low molecular weights of CS (HCS and LCS, respectively) were used in this study. Moreover, the effects of heat treatment at 60 degrees C on the characteristics of the CS-MAS dispersions and the zeta potential of MAS upon addition of CS at different pHs were examined. Incorporation of MAS into CS dispersions caused an increase in viscosity and a shift of CS flow type from Newtonian to pseudoplastic flow with thixotropic properties. Heat treatment brought about a significant decrease in viscosity and hysteresis area of the composite dispersions. Microscopic studies showed that flocculation of MAS occurred after mixing with CS. The size and polydispersity index of the HCS-MAS flocculate were greater than those of the LCS-MAS flocculate. However, a narrower size distribution and the smaller size of the HCS-MAS flocculate were found after heating at 60 degrees C. Zeta potentials of the CS-MAS flocculates were positive and slightly increased with increasing MAS content. In the zeta potential studies, the negative charge of the MAS could be neutralized by the addition of CS. Increasing the pH and molecular weight of CS resulted in higher CS concentrations required to neutralize the charge of MAS. These findings suggest that the electrostatic interaction between CS and MAS caused a change in flow behavior and flocculation of the composite dispersions, depending on the molecular weight of CS. Heat treatment affected the rheological properties and the flocculate size of the composite dispersions. Moreover, pH of medium and molecular weight of CS influence the zeta potential of MAS.

Detection of GRB 060927 at zeta = 5.47: Implications for the Use of Gamma-Ray Bursts as Probes of the End of the Dark Ages

NASA Technical Reports Server (NTRS)

Ruiz-Velasco, A. E.; Swan, H.; Troja, E.; Malesani, D.; Fynbo, J. P. U.; Sterling, R. L. C.; Xu, D.; Aharonian, F.; Akerlof, C.; Andersen, M. I.;

2007-01-01

We report on follow-up observations of the gamma-ray burst GRB 060927 using the robotic ROTSE-IIIa telescope and a suite of larger aperture groundbased telescopes. An optical afterglow was detected 20 s after the burst, the earliest rest-frame detection of optical emission from any GRB. Spectroscopy performed with the VLT about 13 hours after the trigger shows a continuum break at lambda approx. equals 8070 A, produced by neutral hydrogen absorption at zeta = 5.6. We also detect an absorption line at 8158 A which we interpret as Si II lambda 1260 at zeta = 5.467. Hence, GRB 060927 is the second most distant GRB with a spectroscopically measured redshift. The shape of the red wing of the spectral break can be fitted by a damped Ly(alpha) profile with a column density with log(N(sub HI)/sq cm) = 22.50 +/- 0.15. We discuss the implications of this work for the use of GRBs as probes of the end of the dark ages and draw three main conclusions: i) GRB afterglows originating from zeta greater than or approx. equal to 6 should be relatively easy to detect from the ground, but rapid near-infrared monitoring is necessary to ensure that they are found; ii) The presence of large H I column densities in some GRBs host galaxies at zeta > 5 makes the use of GRBs to probe the reionization epoch via spectroscopy of the red damping wing challenging; iii) GRBs appear crucial to locate typical star-forming galaxies at zeta > 5 and therefore the type of galaxies responsible for the reionization of the universe.

Different translocation and calcium dependence of protein kinase C isoforms induced by phorbol ester in human platelets

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

Crabos, M.; Fabbro, D.; Imber, R.

1991-03-11

Protein kinase C (PKC) is an important intraplatelet second messenger which is activated and translocated from cytosol to membrane in response to extracellular stimuli. Molecular cloning revealed that PKC represents a family of closely related subspecies. Immunoblot analysis using monoclonal antibodies specific for {alpha}, {beta}, and {gamma} and polyclonal antibodies specific for the {delta}, {epsilon}, and {zeta} subspecies revealed the presence of {alpha}, {beta}, and {zeta} isoforms in human platelets. The subcellular distribution of {alpha}, {beta} and {zeta} in resting state was in the range of 80% in cytosol and 20% in membrane. After 2 min incubation of platelets withmore » 300 nM TPA there was an increase of 10% of {beta} and {zeta} subspecies in membrane whereas incubation after one hour incubation with TPA about 70% of all isoforms were associated with the membrane. Incubation of platelets with 1mM of CaCl{sub 2} for 10 min prior to stimulation with 100 nM TPA for 30 min resulted in an increase in the membrane of: 31{plus minus}1 for {alpha}, 30{plus minus}1 for {beta} and 36{plus minus}6 for {zeta}, while in the presence of 1mM EDTA the increase was 14{plus minus}2 for {alpha}, 28{plus minus}1 for {beta} and 34{plus minus}1 for {zeta} (mean %{plus minus}sem). These results demonstrate the presence of three different subtypes of PKC in human platelets which display different time courses of translocation and different sensitivity to external calcium with respect to TPA. This suggest that these isoforms can be activated differently with hormones and may be involved in different intracellular pathways.« less
Adolescents' responses to the gender valence of cigarette advertising imagery: the role of affect and the self-concept.

PubMed

Shadel, William G; Niaura, Raymond; Abrams, David B

2004-12-01

The studies presented in this manuscript evaluated the role that affect and the self-concept play in adolescent never smokers' reactions to the gender valence of cigarette advertising imagery. Study 1 (n=29; 59% female) revealed that adolescent females have more positive affective reactions to female-valenced cigarette advertising imagery compared to male-valenced cigarette advertising imagery. Study 2 (n=101; 56% female) revealed that adolescent females viewed female-valenced cigarette advertising imagery as more relevant to their self-concepts compared to male-valenced cigarette advertising imagery. Across both studies, male adolescents did not respond differently as a function of the gender valence of cigarette advertising imagery. Thus, female-valenced cigarette advertising imagery may have specific effects on never smoking female adolescents by enhancing positive affect and suggesting that women who smoke hold the same characteristics as do the young women themselves.
The white dwarf companion of the B a 2 star zeta Cap

NASA Technical Reports Server (NTRS)

Boehm-Vitense, E.

1981-01-01

The Ba II star zeta Cap has a white dwarf companion. Its T (sub eff) is determined to be 22000 K, its mass is approximately one solar mass. The importance of this finding for the explanation of abundance peculiarities is discussed.
The desktop interface in intelligent tutoring systems

NASA Technical Reports Server (NTRS)

Baudendistel, Stephen; Hua, Grace

1987-01-01

The interface between an Intelligent Tutoring System (ITS) and the person being tutored is critical to the success of the learning process. If the interface to the ITS is confusing or non-supportive of the tutored domain, the effectiveness of the instruction will be diminished or lost entirely. Consequently, the interface to an ITS should be highly integrated with the domain to provide a robust and semantically rich learning environment. In building an ITS for ZetaLISP on a LISP Machine, a Desktop Interface was designed to support a programming learning environment. Using the bitmapped display, windows, and mouse, three desktops were designed to support self-study and tutoring of ZetaLISP. Through organization, well-defined boundaries, and domain support facilities, the desktops provide substantial flexibility and power for the student and facilitate learning ZetaLISP programming while screening the student from the complex LISP Machine environment. The student can concentrate on learning ZetaLISP programming and not on how to operate the interface or a LISP Machine.
Three proposed B-associations in the vicinity of zeta puppis

NASA Technical Reports Server (NTRS)

Upton, E. K. L.

1971-01-01

There appear to be three loose B associations in the general vicinity of zeta Puppis, all at distances of approximately 300 to 400 parsecs from the sun. Their diameters, perpendicular to the line of sight, are 20 to 50 parsecs, and their separations are of similar size. All three are situated in bright areas of the Gum nebula. The proposed associations A and C lie in the two brightest parts of the nebula. The three associations are not all of the same age. Association C is about 50 million years old, whereas A and B are decidedly younger. The ages of A and B cannot be determined from the present data, as their color-magnitude diagrams show no clear turnoff from the main sequence. Association A may be young enough to qualify as the birthplace of zeta Puppis. There is no other identifiable association in which zeta Puppis can have originated, unless its age is substantially greater than the 3 million years assumed.
Perchlorate adsorption and desorption on activated carbon and anion exchange resin.

PubMed

Yoon, In-Ho; Meng, Xiaoguang; Wang, Chao; Kim, Kyoung-Woong; Bang, Sunbaek; Choe, Eunyoung; Lippincott, Lee

2009-05-15

The mechanisms of perchlorate adsorption on activated carbon (AC) and anion exchange resin (SR-7 resin) were investigated using Raman, FTIR, and zeta potential analyses. Batch adsorption and desorption results demonstrated that the adsorption of perchlorate by AC and SR-7 resin was reversible. The reversibility of perchlorate adsorption by the resin was also proved by column regeneration test. Solution pH significantly affected perchlorate adsorption and the zeta potential of AC, while it did not influence perchlorate adsorption and the zeta potential of resin. Zeta potential measurements showed that perchlorate was adsorbed on the negatively charged AC surface. Raman spectra indicated the adsorption resulted in an obvious position shift of the perchlorate peak, suggesting that perchlorate was associated with functional groups on AC at neutral pH through interactions stronger than electrostatic interaction. The adsorbed perchlorate on the resin exhibited a Raman peak at similar position as the aqueous perchlorate, indicating that perchlorate was adsorbed on the resin through electrostatic attraction between the anion and positively charged surface sites.
Mapping Protein-Protein Interactions of the Resistance-Related Bacterial Zeta Toxin-Epsilon Antitoxin Complex (ε₂ζ₂) with High Affinity Peptide Ligands Using Fluorescence Polarization.

PubMed

Fernández-Bachiller, María Isabel; Brzozowska, Iwona; Odolczyk, Norbert; Zielenkiewicz, Urszula; Zielenkiewicz, Piotr; Rademann, Jörg

2016-07-16

Toxin-antitoxin systems constitute a native survival strategy of pathogenic bacteria and thus are potential targets of antibiotic drugs. Here, we target the Zeta-Epsilon toxin-antitoxin system, which is responsible for the stable maintenance of certain multiresistance plasmids in Gram-positive bacteria. Peptide ligands were designed on the basis of the ε₂ζ₂ complex. Three α helices of Zeta forming the protein-protein interaction (PPI) site were selected and peptides were designed conserving the residues interacting with Epsilon antitoxin while substituting residues binding intramolecularly to other parts of Zeta. Designed peptides were synthesized with an N-terminal fluoresceinyl-carboxy-residue for binding assays and provided active ligands, which were used to define the hot spots of the ε₂ζ₂ complex. Further shortening and modification of the binding peptides provided ligands with affinities <100 nM, allowing us to determine the most relevant PPIs and implement a robust competition binding assay.
Bulk viscosity and relaxation time of causal dissipative relativistic fluid dynamics

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

Huang Xuguang; Rischke, Dirk H.; Institut fuer Theoretische Physik, J.W. Goethe-Universitaet, D-60438 Frankfurt am Main

2011-02-15

The microscopic formulas of the bulk viscosity {zeta} and the corresponding relaxation time {tau}{sub {Pi}} in causal dissipative relativistic fluid dynamics are derived by using the projection operator method. In applying these formulas to the pionic fluid, we find that the renormalizable energy-momentum tensor should be employed to obtain consistent results. In the leading-order approximation in the chiral perturbation theory, the relaxation time is enhanced near the QCD phase transition, and {tau}{sub {Pi}} and {zeta} are related as {tau}{sub {Pi}={zeta}}/[{beta}{l_brace}(1/3-c{sub s}{sup 2})({epsilon}+P)-2({epsilon}-3P)/9{r_brace}], where {epsilon}, P, and c{sub s} are the energy density, pressure, and velocity of sound, respectively. The predictedmore » {zeta} and {tau}{sub {Pi}} should satisfy the so-called causality condition. We compare our result with the results of the kinetic calculation by Israel and Stewart and the string theory, and confirm that all three approaches are consistent with the causality condition.« less
Further summation formulae related to generalized harmonic numbers

NASA Astrophysics Data System (ADS)

Zheng, De-Yin

2007-11-01

By employing the univariate series expansion of classical hypergeometric series formulae, Shen [L.-C. Shen, Remarks on some integrals and series involving the Stirling numbers and [zeta](n), Trans. Amer. Math. Soc. 347 (1995) 1391-1399] and Choi and Srivastava [J. Choi, H.M. Srivastava, Certain classes of infinite series, Monatsh. Math. 127 (1999) 15-25; J. Choi, H.M. Srivastava, Explicit evaluation of Euler and related sums, Ramanujan J. 10 (2005) 51-70] investigated the evaluation of infinite series related to generalized harmonic numbers. More summation formulae have systematically been derived by Chu [W. Chu, Hypergeometric series and the Riemann Zeta function, Acta Arith. 82 (1997) 103-118], who developed fully this approach to the multivariate case. The present paper will explore the hypergeometric series method further and establish numerous summation formulae expressing infinite series related to generalized harmonic numbers in terms of the Riemann Zeta function [zeta](m) with m=5,6,7, including several known ones as examples.
Mixed valency and site-preference chemistry for cerium and its compounds: A predictive density-functional theory study

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

Alam, Aftab; Johnson, Duane D.

Cerium and its technologically relevant compounds are examples of anomalous mixed valency, originating from two competing oxidation states—itinerant Ce4+ and localized Ce3+. Under applied stress, anomalous transitions are observed but not well understood. Here we treat mixed valency as an “alloy” problem involving two valences with competing and numerous site-occupancy configurations. We use density-functional theory with Hubbard U (i.e., DFT+U) to evaluate the effective valence and predict properties, including controlling the valence by pseudoternary alloying. For Ce and its compounds, such as (Ce,La)2(Fe,Co)14B permanent magnets, we find a stable mixed-valent α state near the spectroscopic value of νs=3.53. Ce valencymore » in compounds depends on its steric volume and local chemistry. For La doping, Ce valency shifts towards γ-like Ce3+, as expected from steric volume; for Co doping, valency depends on local Ce-site chemistry and steric volume. Our approach captures the key origins of anomalous valency and site-preference chemistry in complex compounds.« less
HST-WFC3 Near-Infrared Spectroscopy of Quenched Galaxies at zeta approx 1.5 from the WISP Survey: Stellar Populations Properties

NASA Technical Reports Server (NTRS)

Bedregal, A. G.; Scarlata, C.; Henry, A. L.; Atek, H.; Rafelski, M.; Teplitz, H. I.; Dominguez, A.; Siana, B.; Colbert, J. W.; Malkan, M.;

2013-01-01

We combine Hubble Space Telescope (HST) G102 and G141 near-IR (NIR) grism spectroscopy with HST/WFC3- UVIS, HST/WFC3-IR, and Spitzer/IRAC [3.6 microns] photometry to assemble a sample of massive (log(Mstar/M solar mass) at approx 11.0) and quenched (specific star formation rate < 0.01 G/yr(exp -1) galaxies at zeta approx 1.5. Our sample of 41 galaxies is the largest with G102+G141 NIR spectroscopy for quenched sources at these redshifts. In contrast to the local universe, zeta approx 1.5 quenched galaxies in the high-mass range have a wide range of stellar population properties. We find that their spectral energy distributions (SEDs) are well fitted with exponentially decreasing star formation histories and short star formation timescales (tau less than or equal to 100 M/yr). Quenched galaxies also show a wide distribution in ages, between 1 and 4 G/yr. In the (u - r)0-versus-mass space quenched galaxies have a large spread in rest-frame color at a given mass. Most quenched galaxies populate the zeta appro. 1.5 red sequence (RS), but an important fraction of them (32%) have substantially bluer colors. Although with a large spread, we find that the quenched galaxies on the RS have older median ages (3.1 G/yr) than the quenched galaxies off the RS (1.5 G/yr). We also show that a rejuvenated SED cannot reproduce the observed stacked spectra of (the bluer) quenched galaxies off the RS. We derive the upper limit on the fraction of massive galaxies on the RS at zeta approx 1.5 to be <43%.We speculate that the young quenched galaxies off the RS are in a transition phase between vigorous star formation at zeta > 2 and the zeta approx 1.5 RS. According to their estimated ages, the time required for quenched galaxies off the RS to join their counterparts on the z approx. 1.5 RS is of the order of approx. 1G/yr.

Stimulation and inhibition of enzymatic hydrolysis by organosolv lignins as determined by zeta potential and hydrophobicity.

PubMed

Huang, Yang; Sun, Shaolong; Huang, Chen; Yong, Qiang; Elder, Thomas; Tu, Maobing

2017-01-01

Lignin typically inhibits enzymatic hydrolysis of cellulosic biomass, but certain organosolv lignins or lignosulfonates enhance enzymatic hydrolysis. The hydrophobic and electrostatic interactions between lignin and cellulases play critical roles in the enzymatic hydrolysis process. However, how to incorporate these two interactions into the consideration of lignin effects has not been investigated. We examined the physicochemical properties and the structures of ethanol organosolv lignins (EOL) from hardwood and softwood and ascertained the association between lignin properties and their inhibitory and stimulatory effects on enzymatic hydrolysis. The zeta potential and hydrophobicity of EOL lignin samples, isolated from organosolv pretreatment of cottonwood (CW), black willow (BW), aspen (AS), eucalyptus (EH), and loblolly pine (LP), were determined and correlated with their effects on enzymatic hydrolysis of Avicel. EOLs from CW, BW, and AS improved the 72 h hydrolysis yield by 8-12%, while EOLs from EH and LP decreased the 72 h hydrolysis yield by 6 and 16%, respectively. The results showed a strong correlation between the 72 h hydrolysis yield with hydrophobicity and zeta potential. The correlation indicated that the hydrophobicity of EOL had a negative effect and the negative zeta potential of EOL had a positive effect. HSQC NMR spectra showed that β- O -4 linkages in lignin react with ethanol to form an α -ethoxylated β- O -4' substructure (A') during organosolv pretreatment. Considerable amounts of C 2,6 -H 2,6 correlation in p -hydroxybenzoate (PB) units were observed for EOL-CW, EOL-BW, and EOL-AS, but not for EOL-EH and EOL-LP. This study revealed that the effect of lignin on enzymatic hydrolysis is a function of both hydrophobic interactions and electrostatic repulsions. The lignin inhibition is controlled by lignin hydrophobicity and the lignin stimulation is governed by the negative zeta potential. The net effect of lignin depends on the combined influence of hydrophobicity and zeta potential. This study has potential implications in biomass pretreatment for the reduction of lignin inhibition by increasing lignin negative zeta potential and decreasing hydrophobicity.
Zeta potentials of the rare earth element fluorcarbonate minerals focusing on bastnäsite and parisite.

PubMed

Owens, C L; Nash, G R; Hadler, K; Fitzpatrick, R S; Anderson, C G; Wall, F

2018-06-01

Rare earth elements (REE) are critical to a wide range of technologies ranging from mobile phones to wind turbines. Processing and extraction of REE minerals from ore bodies is, however, both challenging and relatively poorly understood, as the majority of deposits contain only limited enrichment of REEs. An improved understanding of the surface properties of the minerals is important in informing and optimising their processing, in particular for separation by froth flotation. The measurement of zeta potential can be used to extract information regarding the electrical double layer, and hence surface properties of these minerals. There are over 34 REE fluorcarbonate minerals currently identified, however bastnäsite, synchysite and parisite are of most economic importance. Bastnäsite-(Ce), the most common REE fluorcarbonate, supplies over 50% of the world's REE. Previous studies of bastnäsite have showed a wide range of surface behaviour, with the iso-electric point (IEP), being measured between pH values of 4.6 and 9.3. In contrast, no values of IEP have been reported for parisite or synchysite. In this work, we review previous studies of the zeta potentials of bastnäsite to investigate the effects of different methodologies and sample preparation. In addition, measurements of zeta potentials of parisite under water, collector and supernatant conditions were conducted, the first to be reported. These results showed an iso-electric point for parisite of 5.6 under water, with a shift to a more negative zeta potential with both collector (hydroxamic and fatty acids) and supernatant conditions. The IEP with collectors and supernatant was <3.5. As zeta potential measurements in the presence of reagents and supernatants are the most rigorous way of determining the efficiency of a flotation reagent, the agreement between parisite zeta potentials obtained here and previous work on bastnäsite suggests that parisite may be processed using similar reagent schemes to bastnäsite. This is important for future processing of REE deposits, comprising of more complex REE mineralogy. Copyright © 2018 The Authors. Published by Elsevier B.V. All rights reserved.
Understanding the significance variables for fabrication of fish gelatin nanoparticles by Plackett-Burman design

NASA Astrophysics Data System (ADS)

Subara, Deni; Jaswir, Irwandi; Alkhatib, Maan Fahmi Rashid; Noorbatcha, Ibrahim Ali

2018-01-01

The aim of this experiment is to screen and to understand the process variables on the fabrication of fish gelatin nanoparticles by using quality-design approach. The most influencing process variables were screened by using Plackett-Burman design. Mean particles size, size distribution, and zeta potential were found in the range 240±9.76 nm, 0.3, and -9 mV, respectively. Statistical results explained that concentration of acetone, pH of solution during precipitation step and volume of cross linker had a most significant effect on particles size of fish gelatin nanoparticles. It was found that, time and chemical consuming is lower than previous research. This study revealed the potential of quality-by design in understanding the effects of process variables on the fish gelatin nanoparticles production.
Adults' implicit associations to infant positive and negative acoustic cues: Moderation by empathy and gender.

PubMed

Senese, Vincenzo Paolo; Venuti, Paola; Giordano, Francesca; Napolitano, Maria; Esposito, Gianluca; Bornstein, Marc H

2017-09-01

In this study a novel auditory version of the Single Category Implicit Association Test (SC-IAT-A) was developed to investigate (a) the valence of adults' associations to infant cries and laughs, (b) moderation of implicit associations by gender and empathy, and (c) the robustness of implicit associations controlling for auditory sensitivity. Eighty adults (50% females) were administered two SC-IAT-As, the Empathy Quotient, and the Weinstein Noise Sensitivity Scale. Adults showed positive implicit associations to infant laugh and negative ones to infant cry; only the implicit associations with the infant laugh were negatively related to empathy scores, and no gender differences were observed. Finally, implicit associations to infant cry were affected by noise sensitivity. The SC-IAT-A is useful to evaluate the valence of implicit reactions to infant auditory cues and could provide fresh insights into understanding processes that regulate the quality of adult-infant relationships.
LETTER TO THE EDITOR: Fractal diffusion coefficient from dynamical zeta functions

NASA Astrophysics Data System (ADS)

Cristadoro, Giampaolo

2006-03-01

Dynamical zeta functions provide a powerful method to analyse low-dimensional dynamical systems when the underlying symbolic dynamics is under control. On the other hand, even simple one-dimensional maps can show an intricate structure of the grammar rules that may lead to a non-smooth dependence of global observables on parameters changes. A paradigmatic example is the fractal diffusion coefficient arising in a simple piecewise linear one-dimensional map of the real line. Using the Baladi-Ruelle generalization of the Milnor-Thurnston kneading determinant, we provide the exact dynamical zeta function for such a map and compute the diffusion coefficient from its smallest zero.
Multilaboratory study of the shifts in the IEP of anatase at high ionic strengths.

PubMed

Kosmulski, Marek; Dukhin, Andrei S; Priester, Torsten; Rosenholm, Jarl B

2003-07-01

The zeta-potentials of anatase at pH 2-11 in 0.1, 0.3, 0.5, and 1 moldm(-3) NaI were studied using the DT 1200 in three laboratories. At [NaI]=1 moldm(-3) the zeta-potentials were positive over the entire pH range. The previously observed tendency of the isoelectric point of anatase to shift to high pH at high ionic strength (M. Kosmulski, J.B. Rosenholm, J. Phys. Chem. 100 (1996) 11681) and the salt specificity of this effect were confirmed. The zeta-potentials obtained in different laboratories using DT 1200 are consistent within 3 mV.
Ultra-weak sector, Higgs boson mass, and the dilaton

DOE PAGES

Allison, Kyle; Hill, Christopher T.; Ross, Graham G.

2014-09-26

The Higgs boson mass may arise from a portal coupling to a singlet fieldmore » $$\\sigma$$ which has a very large VEV $$f \\gg m_\\text{Higgs}$$. This requires a sector of "ultra-weak" couplings $$\\zeta_i$$, where $$\\zeta_i \\lesssim m_\\text{Higgs}^2 / f^2$$. Ultra-weak couplings are technically naturally small due to a custodial shift symmetry of $$\\sigma$$ in the $$\\zeta_i \\rightarrow 0$$ limit. The singlet field $$\\sigma$$ has properties similar to a pseudo-dilaton. We engineer explicit breaking of scale invariance in the ultra-weak sector via a Coleman-Weinberg potential, which requires hierarchies amongst the ultra-weak couplings.« less
Surface energy from order parameter profile: At the QCD phase transition

NASA Technical Reports Server (NTRS)

Frei, Z.; Patkos, A.

1989-01-01

The order parameter profile between coexisting confined and plasma regions at the quantum chromodynamic (QCD) phase transition is constructed. The dimensionless combination of the surface energy (Sigma) and the correlation length (Zeta) is estimated to be Sigma Zeta 3 approximately equals 0.8.

Valence-quark distribution functions in the kaon and pion

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

Chen, Chen; Chang, Lei; Roberts, Craig D.

2016-04-18

We describe expressions for pion and kaon dressed-quark distribution functions that incorporate contributions from gluons which bind quarks into these mesons and hence overcome a flaw of the commonly used handbag approximation. The distributions therewith obtained are purely valence in character, ensuring that dressed quarks carry all the meson’s momentum at a characteristic hadronic scale and vanish as ( 1 - x ) 2 when Bjorken- x → 1 . Comparing such distributions within the pion and kaon, it is apparent that the size of S U ( 3 ) -flavor symmetry breaking in meson parton distribution functions is modulatedmore » by the flavor dependence of dynamical chiral symmetry breaking. Corrections to these leading-order formulas may be divided into two classes, responsible for shifting dressed-quark momentum into glue and sea quarks. Working with available empirical information, we build an algebraic framework that is capable of expressing the principal impact of both classes of corrections. This enables a realistic comparison with experiment which allows us to identify and highlight basic features of measurable pion and kaon valence-quark distributions. We find that whereas roughly two thirds of the pion’s light-front momentum is carried by valence dressed quarks at a characteristic hadronic scale; this fraction rises to 95% in the kaon; evolving distributions with these features to a scale typical of available Drell-Yan data produces a kaon-to-pion ratio of u -quark distributions that is in agreement with the single existing data set, and predicts a u -quark distribution within the pion that agrees with a modern reappraisal of π N Drell-Yan data. Precise new data are essential in order to validate this reappraisal and because a single modest-quality measurement of the kaon-to-pion ratio cannot be considered definitive.« less
Rejection of syngeneic colon carcinoma by CTLs expressing single-chain antibody receptors codelivering CD28 costimulation.

PubMed

Haynes, Nicole M; Trapani, Joseph A; Teng, Michele W L; Jackson, Jacob T; Cerruti, Loretta; Jane, Stephen M; Kershaw, Michael H; Smyth, Mark J; Darcy, Phillip K

2002-11-15

A new strategy to improve the therapeutic utility of redirected T cells for cancer involves the development of novel Ag-specific chimeric receptors capable of stimulating optimal and sustained T cell antitumor activity in vivo. Given that T cells require both primary and costimulatory signals for optimal activation and that many tumors do not express critical costimulatory ligands, modified single-chain Ab receptors have been engineered to codeliver CD28 costimulation. In this study, we have compared the antitumor potency of primary T lymphocytes expressing carcinoembryonic Ag (CEA)-reactive chimeric receptors that incorporate either TCR-zeta or CD28/TCR-zeta signaling. Although both receptor-transduced T cell effector populations demonstrated cytolysis of CEA(+) tumors in vitro, T cells expressing the single-chain variable fragment of Ig (scFv)-CD28-zeta chimera had a far greater capacity to control the growth of CEA(+) xenogeneic and syngeneic colon carcinomas in vivo. The observed enhanced antitumor activity of T cells expressing the scFv-CD28-zeta receptor was critically dependent on perforin and the production of IFN-gamma. Overall, this study has illustrated the ability of a chimeric scFv receptor capable of harnessing the signaling machinery of both TCR-zeta and CD28 to augment T cell immunity against tumors that have lost expression of both MHC/peptide and costimulatory ligands in vivo.
The structure of a zeta class glutathione S-transferase from Arabidopsis thaliana: characterisation of a GST with novel active-site architecture and a putative role in tyrosine catabolism.

PubMed

Thom, R; Dixon, D P; Edwards, R; Cole, D J; Lapthorn, A J

2001-05-18

The cis-trans isomerisation of maleylacetoacetate to fumarylacetoacetate is the penultimate step in the tyrosine/phenylalanine catabolic pathway and has recently been shown to be catalysed by glutathione S-transferase enzymes belonging to the zeta class. Given this primary metabolic role it is unsurprising that zeta class glutathione S-transferases are well conserved over a considerable period of evolution, being found in vertebrates, plants, insects and fungi. The structure of this glutathione S-transferase, cloned from Arabidopsis thaliana, has been solved by single isomorphous replacement with anomalous scattering and refined to a final crystallographic R-factor of 19.6% using data from 25.0 A to 1.65 A. The zeta class enzyme adopts the canonical glutathione S-transferase fold and forms a homodimer with each subunit consisting of 221 residues. In agreement with structures of glutathione S-transferases from the theta and phi classes, a serine residue (Ser17) is present in the active site, at a position that would allow it to stabilise the thiolate anion of glutathione. Site-directed mutagenesis of this residue confirms its importance in catalysis. In addition, the role of a highly conserved cysteine residue (Cys19) present in the active site of the zeta class glutathione S-transferase enzymes is discussed. Copyright 2001 Academic Press.
Study of a binary interpenetrated polymeric complex by correlation of rheological parameters with zeta potential and conductivity.

PubMed

Nita, Loredana Elena; Chiriac, Aurica P; Neamtu, Iordana; Bercea, Maria

2010-03-01

The interpenetrated macromolecular chains complexation between poly(aspartic acid) and poly(vinyl alcohol) in aqueous solution it was investigated. The interpolymer complexation process was evaluated through dynamic rheology. The aspects concerning the stability of the tested homopolymers and the prepared interpolymeric complex there were achieved from the evaluation of the aqueous solutions'zeta potential and also by determining the pH influence upon the zeta potential and the conductivity. The data obtained through the rheological dynamic measurements were correlated with the composition of the polymeric mixture, the dependence of zeta potential and conductivity. The study reveals the conditions for the formation of interpenetrated polymeric complex as being a ratio of 70wt.% PAS to 30wt.% PVA at 22 degrees C and 50/50 PAS/PVA ratio at 37 degrees C temperature. From the pH influence upon the zeta potential values it was evidenced the PAS aqueous solution does not reach the isoelectric point. At the same time, PVA solution and the complex PAS/PVA reaches the isoelectric point at strongly acid pH. The better stability of PAS, PVA and their mixture in solution is recorded in the alkaline domain (7.5or=12). The conductivity increases with the rising of the PAS content, pH and temperature. Other characteristics of the prepared interpenetrated polymeric structure, as for example thermal stability, there are also presented.
[Computer modeling the dependences of the membrane potential for polymeric membrane separated non-homogeneous electrolyte solutions on concentration Rayleigh number].

PubMed

Slezak, Izabella H; Jasik-Slezak, Jolanta; Bilewicz-Wyrozumska, Teresa; Slezak, Andrzej

2006-01-01

On the basis of model equation describing the membrane potential delta psi(s) on concentration Rayleigh number (R(C)), mechanical pressure difference (deltaP), concentration polarization coefficient (zeta s) and ratio concentration of solutions separated by membrane (Ch/Cl), the characteristics delta psi(s) = f(Rc)(delta P, zeta s, Ch/Cl) for steady values of zeta s, R(C) and Ch/Cl in single-membrane system were calculated. In this system neutral and isotropic polymeric membrane oriented in horizontal plane, the non-homogeneous binary electrolytic solutions of various concentrations were separated. Nonhomogeneity of solutions is results from creations of the concentration boundary layers on both sides of the membrane. Calculations were made for the case where on a one side of the membrane aqueous solution of NaCl at steady concentration 10(-3) mol x l(-1) (Cl) was placed and on the other aqueous solutions of NaCl at concentrations from 10(-3) mol x l(-1) to 2 x 10(-2) mol x l(-1) (Ch). Their densities were greater than NaCl solution's at 10(-3) mol x l(-1). It was shown that membrane potential depends on hydrodynamic state of a complex concentration boundary layer-membrane-concentration boundary layer, what is controlled by deltaP, Ch/Cl, Rc and Zeta(s).
Expression of the growth factor pleiotrophin and its receptor protein tyrosine phosphatase beta/zeta in the serum, cartilage and subchondral bone of patients with osteoarthritis.

PubMed

Kaspiris, Angelos; Mikelis, Constantinos; Heroult, Melanie; Khaldi, Lubna; Grivas, Theodoros B; Kouvaras, Ioannis; Dangas, Spyridon; Vasiliadis, Elias; Lioté, Frédéric; Courty, José; Papadimitriou, Evangelia

2013-07-01

Pleiotrophin is a heparin-binding growth factor expressed in embryonic but not mature cartilage, suggesting a role in cartilage development. Elucidation of the molecular changes observed during the remodelling process in osteoarthritis is of paramount importance. This study aimed to investigate serum pleiotrophin levels and expression of pleiotrophin and its receptor protein tyrosine phosphatase beta/zeta in the cartilage and subchondral bone of osteoarthritis patients. Serum samples derived from 16 osteoarthritis patients and 18 healthy donors. Pleiotrophin and receptor protein tyrosine phosphatase beta/zeta in the cartilage and subchondral bone were studied in 29 patients who had undergone total knee or hip replacement for primary osteoarthritis and in 10 control patients without macroscopic osteoarthritis changes. Serum pleiotrophin levels and expression of pleiotrophin in chondrocytes and subchondral bone osteocytes significantly increased in osteoarthritis patients graded Ahlback II to III. Receptor protein tyrosine phosphatase beta/zeta was mainly detected in the subchondral bone osteocytes of patients with moderate osteoarthritis and as disease severity increased, in the osteocytes and bone lining cells of the distant trabeculae. These data render pleiotrophin and receptor protein tyrosine phosphatase beta/zeta promising candidates for further studies towards developing targeted therapeutic schemes for osteoarthritis. Copyright © 2012 Société française de rhumatologie. Published by Elsevier SAS. All rights reserved.
DOE Office of Scientific and Technical Information (OSTI.GOV)

Grimme, Stefan, E-mail: grimme@thch.uni-bonn.de; Brandenburg, Jan Gerit; Bannwarth, Christoph

A density functional theory (DFT) based composite electronic structure approach is proposed to efficiently compute structures and interaction energies in large chemical systems. It is based on the well-known and numerically robust Perdew-Burke-Ernzerhoff (PBE) generalized-gradient-approximation in a modified global hybrid functional with a relatively large amount of non-local Fock-exchange. The orbitals are expanded in Ahlrichs-type valence-double zeta atomic orbital (AO) Gaussian basis sets, which are available for many elements. In order to correct for the basis set superposition error (BSSE) and to account for the important long-range London dispersion effects, our well-established atom-pairwise potentials are used. In the design ofmore » the new method, particular attention has been paid to an accurate description of structural parameters in various covalent and non-covalent bonding situations as well as in periodic systems. Together with the recently proposed three-fold corrected (3c) Hartree-Fock method, the new composite scheme (termed PBEh-3c) represents the next member in a hierarchy of “low-cost” electronic structure approaches. They are mainly free of BSSE and account for most interactions in a physically sound and asymptotically correct manner. PBEh-3c yields good results for thermochemical properties in the huge GMTKN30 energy database. Furthermore, the method shows excellent performance for non-covalent interaction energies in small and large complexes. For evaluating its performance on equilibrium structures, a new compilation of standard test sets is suggested. These consist of small (light) molecules, partially flexible, medium-sized organic molecules, molecules comprising heavy main group elements, larger systems with long bonds, 3d-transition metal systems, non-covalently bound complexes (S22 and S66×8 sets), and peptide conformations. For these sets, overall deviations from accurate reference data are smaller than for various other tested DFT methods and reach that of triple-zeta AO basis set second-order perturbation theory (MP2/TZ) level at a tiny fraction of computational effort. Periodic calculations conducted for molecular crystals to test structures (including cell volumes) and sublimation enthalpies indicate very good accuracy competitive to computationally more involved plane-wave based calculations. PBEh-3c can be applied routinely to several hundreds of atoms on a single processor and it is suggested as a robust “high-speed” computational tool in theoretical chemistry and physics.« less
Consistent structures and interactions by density functional theory with small atomic orbital basis sets.

PubMed

Grimme, Stefan; Brandenburg, Jan Gerit; Bannwarth, Christoph; Hansen, Andreas

2015-08-07

A density functional theory (DFT) based composite electronic structure approach is proposed to efficiently compute structures and interaction energies in large chemical systems. It is based on the well-known and numerically robust Perdew-Burke-Ernzerhoff (PBE) generalized-gradient-approximation in a modified global hybrid functional with a relatively large amount of non-local Fock-exchange. The orbitals are expanded in Ahlrichs-type valence-double zeta atomic orbital (AO) Gaussian basis sets, which are available for many elements. In order to correct for the basis set superposition error (BSSE) and to account for the important long-range London dispersion effects, our well-established atom-pairwise potentials are used. In the design of the new method, particular attention has been paid to an accurate description of structural parameters in various covalent and non-covalent bonding situations as well as in periodic systems. Together with the recently proposed three-fold corrected (3c) Hartree-Fock method, the new composite scheme (termed PBEh-3c) represents the next member in a hierarchy of "low-cost" electronic structure approaches. They are mainly free of BSSE and account for most interactions in a physically sound and asymptotically correct manner. PBEh-3c yields good results for thermochemical properties in the huge GMTKN30 energy database. Furthermore, the method shows excellent performance for non-covalent interaction energies in small and large complexes. For evaluating its performance on equilibrium structures, a new compilation of standard test sets is suggested. These consist of small (light) molecules, partially flexible, medium-sized organic molecules, molecules comprising heavy main group elements, larger systems with long bonds, 3d-transition metal systems, non-covalently bound complexes (S22 and S66×8 sets), and peptide conformations. For these sets, overall deviations from accurate reference data are smaller than for various other tested DFT methods and reach that of triple-zeta AO basis set second-order perturbation theory (MP2/TZ) level at a tiny fraction of computational effort. Periodic calculations conducted for molecular crystals to test structures (including cell volumes) and sublimation enthalpies indicate very good accuracy competitive to computationally more involved plane-wave based calculations. PBEh-3c can be applied routinely to several hundreds of atoms on a single processor and it is suggested as a robust "high-speed" computational tool in theoretical chemistry and physics.
On pleasure and thrill: the interplay between arousal and valence during visual word recognition.

PubMed

Recio, Guillermo; Conrad, Markus; Hansen, Laura B; Jacobs, Arthur M

2014-07-01

We investigated the interplay between arousal and valence in the early processing of affective words. Event-related potentials (ERPs) were recorded while participants read words organized in an orthogonal design with the factors valence (positive, negative, neutral) and arousal (low, medium, high) in a lexical decision task. We observed faster reaction times for words of positive valence and for those of high arousal. Data from ERPs showed increased early posterior negativity (EPN) suggesting improved visual processing of these conditions. Valence effects appeared for medium and low arousal and were absent for high arousal. Arousal effects were obtained for neutral and negative words but were absent for positive words. These results suggest independent contributions of arousal and valence at early attentional stages of processing. Arousal effects preceded valence effects in the ERP data suggesting that arousal serves as an early alert system preparing a subsequent evaluation in terms of valence. Copyright © 2014 Elsevier Inc. All rights reserved.
Motivation but not valence modulates neuroticism-dependent cingulate cortex and insula activity.

PubMed

Deng, Yaling; Li, Shijia; Zhou, Renlai; Walter, Martin

2018-04-01

Neuroticism has been found to specifically modulate amygdala activations during differential processing of valence and motivation while other brain networks yet are unexplored for associated effects. The main purpose of this study was to investigate whether neural mechanisms processing valence or motivation are prone to neuroticism in the salience network (SN), a network that is anchored in the anterior cingulate cortex (ACC) and the anterior insula. This study used functional magnetic resonance imaging (fMRI) and an approach/avoid emotional pictures task to investigate brain activations modulated by pictures' valence or motivational status between high and low neurotic individuals. We found that neuroticism-dependent SN and the parahippocampal-fusiform area activations were modulated by motivation but not valence. Valence in contrast interacted with neuroticism in the lateral orbitofrontal cortex. We suggested that neuroticism modulated valence and motivation processing, however, under the influence of the two distinct networks. Neuroticism modulated the motivation through the SN while it modulated the valence through the orbitofrontal networks. © 2018 Wiley Periodicals, Inc.
Clinical Trials Using Anti-CD19/CD28/CD3zeta CAR Gammaretroviral Vector-transduced Autologous T Lymphocytes KTE-C19

Cancer.gov

NCI supports clinical trials that test new and more effective ways to treat cancer. Find clinical trials studying anti-cd19/cd28/cd3zeta car gammaretroviral vector-transduced autologous t lymphocytes kte-c19.
SCF and CI calculations of the dipole moment function of ozone. [Self-Consistent Field and Configuration-Interaction

NASA Technical Reports Server (NTRS)

Curtiss, L. A.; Langhoff, S. R.; Carney, G. D.

1979-01-01

The constant and linear terms in a Taylor series expansion of the dipole moment function of the ground state of ozone are calculated with Cartesian Gaussian basis sets ranging in quality from minimal to double zeta plus polarization. Results are presented at both the self-consistent field and configuration-interaction levels. Although the algebraic signs of the linear dipole moment derivatives are all established to be positive, the absolute magnitudes of these quantities, as well as the infrared intensities calculated from them, vary considerably with the level of theory.
Nicotinamide polymeric nanoemulsified systems: a quality-by-design case study for a sustained antimicrobial activity

PubMed Central

Zidan, Ahmed S; Ahmed, Osama AA; Aljaeid, Bader M

2016-01-01

Nicotinamide, the amide form of vitamin B3, was demonstrated to combat some of the antibiotic-resistant infections that are increasingly common around the world. The objective of this study was to thoroughly understand the formulation and process variabilities affecting the preparation of nicotinamide-loaded polymeric nanoemulsified particles. The quality target product profile and critical quality attributes of the proposed product were presented. Plackett–Burman screening design was employed to screen eight variables for their influences on the formulation’s critical characteristics. The formulations were prepared by an oil-in-water emulsification followed by solvent replacement. The prepared systems were characterized by entrapment capacity (EC), entrapment efficiency (EE), particle size, polydispersity index, zeta potential, transmission electron microscopy, Fourier transform infrared spectroscopy, differential scanning calorimetry, powder X-ray diffraction, in vitro drug release, and their antibacterial activity against bacterial scrums. EC, EE, particle size, polydispersity index, zeta potential, and percentage release in 24 hours were found to be in the range of 33.5%–68.8%, 53.1%–67.1%, 43.3–243.3 nm, 0.08–0.28, 9.5–53.3 mV, and 5.8%–22.4%, respectively. One-way analysis of variance and Pareto charts revealed that the experimental loadings of 2-hydroxypropyl-β-cyclodextrin and Eudragit® S100 were the most significant for their effects on nicotinamide EC and EE. Moreover, the polymeric nanoemulsified particles demonstrated a sustained release profile for nicotinamide. The Fourier transform infrared spectroscopy, differential scanning calorimetry, and X-ray diffraction demonstrated a significant interaction between the drug and 2-hydroxypropyl-β-cyclodextrin that might modulate the sustained release behavior. Furthermore, the formulations provided a sustained antibacterial activity that depended on nicotinamide-loading concentration, release rate, and incubation time. In conclusion, the study demonstrated the potential of polymeric nanoemulsified system to sustain the release and antibacterial activity of nicotinamide. PMID:27110111
Context-Inappropriate Anger, Emotion Knowledge Deficits, and Negative Social Experiences in Preschool

PubMed Central

Locke, Robin L.; Miller, Alison L.; Seifer, Ronald; Heinze, Justin E.

2015-01-01

This study examined contextually-inappropriate (CI) anger in relation to emotion recognition and situation knowledge, negative social experiences, and externalizing behavior among low-income 4-year-olds attending Head Start (n=134). Approximately one-quarter of children (23%) showed anger when presented with positive/neutral slides and videos (valence-incongruent CI anger), whereas 2/5 of children (40%) showed anger when presented with negative slides and videos (valence-congruent CI anger). Valence-incongruent CI anger was associated with lower emotion situation knowledge (for boys only), more self-reported peer rejection and loneliness, and greater negative nominations by teachers and peers. Both valence-incongruent and (for boys only) valence-congruent CI anger were positively associated with externalizing behavior. Overall, valence-incongruent CI anger was more strongly associated with negative child outcomes than valence-congruent CI anger. PMID:26376288
Engineering of a novel adjuvant based on lipid-polymer hybrid nanoparticles: A quality-by-design approach.

PubMed

Rose, Fabrice; Wern, Jeanette Erbo; Ingvarsson, Pall Thor; van de Weert, Marco; Andersen, Peter; Follmann, Frank; Foged, Camilla

2015-07-28

The purpose of this study was to design a novel and versatile adjuvant intended for mucosal vaccination based on biodegradable poly(DL-lactic-co-glycolic acid) (PLGA) nanoparticles (NPs) modified with the cationic surfactant dimethyldioctadecylammonium (DDA) bromide and the immunopotentiator trehalose-6,6'-dibehenate (TDB) (CAF01) to tailor humoral and cellular immunity characterized by antibodies and Th1/Th17 responses. Such responses are important for the protection against diseases caused by intracellular bacteria such as Chlamydia trachomatis and Mycobacterium tuberculosis. The hybrid NPs were engineered using an oil-in-water single emulsion method and a quality-by-design approach was adopted to define the optimal operating space (OOS). Four critical process parameters (CPPs) were identified, including the acetone concentration in the water phase, the stabilizer [polyvinylalcohol (PVA)] concentration, the lipid-to-total solid ratio, and the total concentration. The CPPs were linked to critical quality attributes consisting of the particle size, polydispersity index (PDI), zeta-potential, thermotropic phase behavior, yield and stability. A central composite face-centered design was performed followed by multiple linear regression analysis. The size, PDI, enthalpy of the phase transition and yield were successfully modeled, whereas the models for the zeta-potential and the stability were poor. Cryo-transmission electron microscopy revealed that the main structural effect on the nanoparticle architecture is caused by the use of PVA, and two different morphologies were identified: i) A PLGA core coated with one or several concentric lipid bilayers, and ii) a PLGA nanoshell encapsulating lipid membrane structures. The optimal formulation, identified from the OOS, was evaluated in vivo. The hybrid NPs induced antibody and Th1/Th17 immune responses that were similar in quality and magnitude to the response induced by DDA/TDB liposomes, showing that the adjuvant properties of DDA/TDB are maintained in the PLGA hybrid matrix. This study demonstrates the complexity of formulation design for the engineering of a hybrid lipid-polymer nanoparticle adjuvant. Copyright © 2015 Elsevier B.V. All rights reserved.
The bidirectional congruency effect of brightness-valence metaphoric association in the Stroop-like and priming paradigms.

PubMed

Huang, Yanli; Tse, Chi-Shing; Xie, Jiushu

2017-11-04

The conceptual metaphor theory (Lakoff & Johnson, 1980, 1999) postulates a unidirectional metaphoric association between abstract and concrete concepts: sensorimotor experience activated by concrete concepts facilitates the processing of abstract concepts, but not the other way around. However, this unidirectional view has been challenged by studies that reported a bidirectional metaphoric association. In three experiments, we tested the directionality of the brightness-valence metaphoric association, using Stroop-like paradigm, priming paradigm, and Stroop-like paradigm with a go/no-go manipulation. Both mean and vincentile analyses of reaction time data were performed. We showed that the directionality of brightness-valence metaphoric congruency effect could be modulated by the activation level of the brightness/valence information. Both brightness-to-valence and valence-to-brightness metaphoric congruency effects occurred in the priming paradigm, which could be attributed to the presentation of prime that pre-activated the brightness or valence information. However, in the Stroop-like paradigm the metaphoric congruency effect was only observed in the brightness-to-valence direction, but not in the valence-to-brightness direction. When the go/no-go manipulation was used to boost the activation of word meaning in the Stroop-like paradigm, the valence-to-brightness metaphoric congruency effect was observed. Vincentile analyses further revealed that valence-to-brightness metaphoric congruency effect approached significance in the Stroop-like paradigm when participants' reaction times were slower (at around 490ms). The implications of the current findings on the conceptual metaphor theory and embodied cognition are discussed. Copyright © 2017 Elsevier B.V. All rights reserved.
Work Valence as a Predictor of Academic Achievement in the Family Context

ERIC Educational Resources Information Center

Porfeli, Erik; Ferrari, Lea; Nota, Laura

2013-01-01

This study asserts a theoretical model of academic and work socialization within the family setting. The presumed associations between parents' work valences, children's work valences and valence perceptions, and children's academic interest and achievement are tested. The results suggest that children's perceptions of parents mediate the…
AB INITIO calculation of the electromigration wind valence of interstitial hydrogen in f.c.c metals

NASA Astrophysics Data System (ADS)

van Ek, J.; Lodder, A.

1990-02-01

Calculated electromigration wind valences, obtained within a KKR-Green function description, are presented. It is shown that the electromigration wind valence of hydrogen along different migration paths in Cu, Ag and Pd can be calculated including charge transfer effects in the impurity cluster. A nice procedure for retrieving the scalar character of the wind valence in an f.c.c metal introduces an explanation for the isotope effect in the wind valence.
Core-core and core-valence correlation energy atomic and molecular benchmarks for Li through Ar

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

Ranasinghe, Duminda S.; Frisch, Michael J.; Petersson, George A., E-mail: gpetersson@wesleyan.edu

2015-12-07

We have established benchmark core-core, core-valence, and valence-valence absolute coupled-cluster single double (triple) correlation energies (±0.1%) for 210 species covering the first- and second-rows of the periodic table. These species provide 194 energy differences (±0.03 mE{sub h}) including ionization potentials, electron affinities, and total atomization energies. These results can be used for calibration of less expensive methodologies for practical routine determination of core-core and core-valence correlation energies.
Effect of sonication on the colloidal stability of iron oxide nanoparticles

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

Sodipo, Bashiru Kayode; Aziz, Azlan Abdul

2015-04-24

Colloidal stability of superparamagnetic iron oxide nanoparticles’ (SPION) suspensions, ultrasonically irradiated at various pH was studied. Electrophoresis measurement of the sonicated SPION showed that the shock waves and other unique conditions generated from the acoustic cavitation process (formation, growth and collapse of bubbles) affect the zeta potential value of the suspension. In this work, stabled colloidal suspensions of SPION were prepared and their pH is varied between 3 and 5. Prior to ultrasonic irradiation of the suspensions, their initial zeta potential values were determined. After ultrasonic irradiation of the suspensions, we observed that the sonication process interacts with colloidal stabilitymore » of the nanoparticles. The results demonstrated that only suspensions with pH less 4 were found stable and able to retain more than 90% of its initial zeta potential value. However, at pH greater than 4, the suspensions were found unstable. The result implies that good zeta potential value of SPION can be sustained in sonochemical process as long as the pH of the mixture is kept below 4.« less

Heterocoagulation of chalcopyrite and pyrite minerals in flotation separation.

PubMed

Mitchell, Timothy K; Nguyen, Anh V; Evans, Geoffrey M

2005-06-30

Heterocoagulation between various fine mineral particles contained within a mineral suspension with different structural and surface chemistry can interfere with the ability of the flotation processes to selectively separate the minerals involved. This paper examines the interactions between chalcopyrite (a copper mineral) and pyrite (an iron mineral often bearing gold) as they approach each other in suspensions with added chemicals, and relates the results to the experimental data for the flotation recovery and selectivity. The heterocoagulation was experimentally studied using the electrophoretic light scattering (ELS) technique and was modelled by incorporating colloidal forces, including the van der Waals, electrostatic double layer and hydrophobic forces. The ELS results indicated that pyrite has a positive zeta potential (zeta) up to its isoelectric point (IEP) at approximately pH 2.2, while chalcopyrite has a positive zeta up to its IEP at approximately pH 5.5. This produces heterocoagulation of chalcopyrite with pyrite between pH 2.2 and pH 5.5. The heterocoagulation was confirmed by the ELS spectra measured with a ZetaPlus instrument from Brookhaven and by small-scale flotation experiments.
Zeta potential study of Sb2S3 nanoparticles synthesized by a facile polyol method in various surfactants

NASA Astrophysics Data System (ADS)

Saxena, Monika; Okram, Gunadhor Singh

2018-05-01

In the present work, we report the successful synthesis of stibnite Sb2S3 nanoparticles (NPs) by a facile polyol method using various surfactant. The structural and optical properties were investigated by X-ray diffraction (XRD), Raman spectroscopy and Zeta potential. Rietveld refinement of XRD data confirms the single phase orthorhombic crystal structure of stibnite Sb2S3. Presence of six obvious Raman modes further confirmed their stoichiometric formation. Effect of different surfactants on the surface charge of Sb2S3 NPs was studied using Zeta potential measurement in deionized water at different pH values. They reveal that these NPs are more stable when it was synthesized in presence of EDTA than that of CTAB or without surfactant samples with high zeta potential. The isoelectronic point was found at pH = 6.4 for pure sample, 3.5 and 7.2 for CTAB and not found for EDTA Sb2S3 samples. This information can be useful for many industrial applications like pharmaceuticals, ceramics, waste water treatment and medicines.
High-resolution ultraviolet observations of interstellar lines toward Zeta Persei observed with the balloon-borne ultraviolet stellar spectrometer

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

Snow, T.P.; Lamers, H.J.G.L.M.; Joseph, C.L.

1987-10-01

The balloon-borne ultraviolet stellar spectrometer payload has been used to obtain high-resolution data on interstellar absorption lines toward Zeta Per. The only lines clearly present in the 2150-2450 region were several Fe II features, which show double structure. The two velocity components were sufficiently well separated that it was possible to construct separate curves of growth to derive the Fe II column densities for the individual components. These column densities and the component velocity separation were then used to compute a realistic two-component curve of growth for the line of sight to Zeta Per, which was then used to reanalyzemore » existing ultraviolet data from Copernicus. The results were generally similar to an earlier two-component analysis of the Copernicus data, with the important exception that the silicon depletion increased from near zero to about 1 dex. This makes the Zeta Per depletion pattern quite similar to those derived for other reddened lines of sight, supporting the viewpoint that the general diffuse interstellar medium has a nearly constant pattern of depletions. 31 references.« less
The valence of event-based prospective memory cues or the context in which they occur affects their detection.

PubMed

Clark-Foos, Arlo; Brewer, Gene A; Marsh, Richard L; Meeks, J Thadeus; Cook, Gabriel I

2009-01-01

Event-based prospective memory tasks entail detecting cues or reminders in our environment related to previously established intentions. If they are detected at an opportune time, then the intention can be fulfilled. In Experiments 1a-1c, we gave people 3 different nonfocal intentions (e.g., respond to words denoting animals) and discovered that negatively valenced cues delivered the intention to mind less frequently than positively valenced cues. In Experiment 2, this effect was extended to valenced and neutral sentential contexts with convergent results that cues embedded in negatively valenced sentences evoked remembering the intention less often than in positive contexts. In addition, both classes of valence caused the intention to be forgotten more often than a more neutral context. We propose that valence has the ability to usurp attentional resources that otherwise would have supported successful prospective memory performance.
Processing negative valence of word pairs that include a positive word.

PubMed

Itkes, Oksana; Mashal, Nira

2016-09-01

Previous research has suggested that cognitive performance is interrupted by negative relative to neutral or positive stimuli. We examined whether negative valence affects performance at the word or phrase level. Participants performed a semantic decision task on word pairs that included either a negative or a positive target word. In Experiment 1, the valence of the target word was congruent with the overall valence conveyed by the word pair (e.g., fat kid). As expected, response times were slower in the negative condition relative to the positive condition. Experiment 2 included target words that were incongruent with the overall valence of the word pair (e.g., fat salary). Response times were longer for word pairs whose overall valence was negative relative to positive, even though these word pairs included a positive word. Our findings support the Cognitive Primacy Hypothesis, according to which emotional valence is extracted after conceptual processing is complete.
Gender differences in preferences for coaching as an occupation: the role of self-efficacy, valence, and perceived barriers.

PubMed

Everhart, C B; Chelladurai, P

1998-06-01

This study investigated gender differences in the role of self-efficacy, occupational valence, valence of coaching, and perceived barriers in preference to coach at the high school, 2-year college, Division III, Division II, and Division I levels. The participants, 191 Big Ten university basketball players (94 men, 97 women), responded to a specially constructed instrument. The genders did not differ in their coaching self-efficacy, preferred occupational valence, and perceived barriers. Relative to men, women perceived greater valence in coaching (p < .001). Women with a female coach perceived greater valence in coaching (p < .05) and expressed less concern with perceived discrimination (p < .05) than those with a male coach. Perceived self-efficacy and preferred occupational valence were differentially related to the desire to coach at various levels. Working Hours most negatively affected the desire to coach at every level (R > .20).
Developmental Reversals in False Memory: Effects of Emotional Valence and Arousal

ERIC Educational Resources Information Center

Brainerd, C. J.; Holliday, R. E.; Reyna, V. F.; Yang, Y.; Toglia, M. P.

2010-01-01

Do the emotional valence and arousal of events distort children's memories? Do valence and arousal modulate counterintuitive age increases in false memory? We investigated those questions in children, adolescents, and adults using the Cornell/Cortland Emotion Lists, a word list pool that induces false memories and in which valence and arousal can…
Valence-Specific Laterality Effects in Vocal Emotion: Interactions with Stimulus Type, Blocking and Sex

ERIC Educational Resources Information Center

Schepman, Astrid; Rodway, Paul; Geddes, Pauline

2012-01-01

Valence-specific laterality effects have been frequently obtained in facial emotion perception but not in vocal emotion perception. We report a dichotic listening study further examining whether valence-specific laterality effects generalise to vocal emotions. Based on previous literature, we tested whether valence-specific laterality effects were…
Preparation and characterization of bee venom-loaded PLGA particles for sustained release.

PubMed

Park, Min-Ho; Jun, Hye-Suk; Jeon, Jong-Woon; Park, Jin-Kyu; Lee, Bong-Joo; Suh, Guk-Hyun; Park, Jeong-Sook; Cho, Cheong-Weon

2016-12-14

Bee venom-loaded poly(lactic-co-glycolic acid) (PLGA) particles were prepared by double emulsion-solvent evaporation, and characterized for a sustained-release system. Factors such as the type of organic solvent, the amount of bee venom and PLGA, the type of PLGA, the type of polyvinyl alcohol, and the emulsification method were considered. Physicochemical properties, including the encapsulation efficiency, drug loading, particle size, zeta-potential and surface morphology were examined by Fourier transform infrared (FT-IR) spectroscopy, differential scanning calorimetry (DSC), and X-ray diffraction (XRD). The size of the bee venom-loaded PLGA particles was 500 nm (measured using sonication). Zeta-potentials of the bee venom-loaded PLGA particles were negative owing to the PLGA. FT-IR results demonstrated that the bee venom was completely encapsulated in the PLGA particles, indicated by the disappearance of the amine and amide peaks. In addition, sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) analysis indicated that the bee venom in the bee venom-loaded PLGA particles was intact. In vitro release of the bee venom from the bee venom-loaded PLGA particles showed a sustained-release profile over 1 month. Bee venom-loaded PLGA particles can help improve patients' quality of life by reducing the number of injections required.
Developmental reversals in false memory: Effects of emotional valence and arousal.

PubMed

Brainerd, C J; Holliday, R E; Reyna, V F; Yang, Y; Toglia, M P

2010-10-01

Do the emotional valence and arousal of events distort children's memories? Do valence and arousal modulate counterintuitive age increases in false memory? We investigated those questions in children, adolescents, and adults using the Cornell/Cortland Emotion Lists, a word list pool that induces false memories and in which valence and arousal can be manipulated factorially. False memories increased with age for unpresented semantic associates of word lists, and net accuracy (the ratio of true memory to total memory) decreased with age. These surprising developmental trends were more pronounced for negatively valenced materials than for positively valenced materials, they were more pronounced for high-arousal materials than for low-arousal materials, and developmental increases in the effects of arousal were small in comparison with developmental increases in the effects of valence. These findings have ramifications for legal applications of false memory research; materials that share the emotional hallmark of crimes (events that are negatively valenced and arousing) produced the largest age increases in false memory and the largest age declines in net accuracy. Copyright 2010 Elsevier Inc. All rights reserved.
Pressure-induced valence change and moderate heavy fermion state in Eu-compounds

NASA Astrophysics Data System (ADS)

Honda, Fuminori; Okauchi, Keigo; Sato, Yoshiki; Nakamura, Ai; Akamine, Hiromu; Ashitomi, Yosuke; Hedo, Masato; Nakama, Takao; Takeuchi, Tetsuya; Valenta, Jaroslav; Prchal, Jiri; Sechovský, Vladimir; Aoki, Dai; Ōnuki, Yoshichika

2018-05-01

A pressure-induced valence transition has attracted much attention in Eu-compounds. Among them, EuRh2Si2, EuNi2Ge2, and EuCo2Ge2 reveal the valence transition around 1, 2, and 3 GPa, respectively. We have succeeded in growing single crystals of EuT2X2 (T: transition metal, X: Si, Ge) and studied electronic properties under pressure. EuRh2Si2 indicates a first-order valence transition between 1 and 2 GPa, with a large and prominent hysteresis in the electrical resistivity. At higher pressures, the first-order valence transition changes to a cross-over regime with an intermediate valence state. Tuning of the valence state with pressure is reflected in a drastic change of the temperature dependence of the electrical resistivity in EuRh2Si2 single crystals. Effect of pressure on the valence states on EuRh2Si2, EuIr2Si2, EuNi2Ge2, and EuCo2Ge2, as well as an isostructural related compound EuGa4, are reviewed.
One Way to Design a Valence-Skip Compound.

PubMed

Hase, I; Yanagisawa, T; Kawashima, K

2017-12-01

Valence-skip compound is a good candidate with high T c and low anisotropy because it has a large attractive interaction at the site of valence-skip atom. However, it is not easy to synthesize such compound because of (i) the instability of the skipping valence state, (ii) the competing charge order, and (iii) that formal valence may not be true in some compounds. In the present study, we show several examples of the valence-skip compounds and discuss how we can design them by first principles calculations. Furthermore, we calculated the electronic structure of a promising candidate of valence skipping compound RbTlCl 3 from first principles. We confirmed that the charge-density wave (CDW) is formed in this compound, and the Tl atoms in two crystallographic different sites take the valence Tl 1+ and Tl 3+ . Structure optimization study reveals that this CDW is stable at the ambient pressure, while this CDW gap can be collapsed when we apply pressure with several gigapascals. In this metallic phase, we can expect a large charge fluctuation and a large electron-phonon interaction.
Open-Minded Midwifes, Literate Butchers, and Greedy Hooligans-The Independent Contributions of Stereotype Valence and Consistency on Evaluative Judgments.

PubMed

Schubert, Lisa; Körner, Anita; Lindau, Berit; Strack, Fritz; Topolinski, Sascha

2017-01-01

Do people evaluate an open-minded midwife less positively than a caring midwife? Both open-minded and caring are generally seen as positive attributes. However, consistency varies-the attribute caring is consistent with the midwife stereotype while open-minded is not. In general, both stimulus valence and consistency can influence evaluations. Six experiments investigated the respective influence of valence and consistency on evaluative judgments in the domain of stereotyping. In an impression formation paradigm, valence and consistency of stereotypic information about target persons were manipulated orthogonally and spontaneous evaluations of these target persons were measured. Valence reliably influenced evaluations. However, for strongly valenced stereotypes, no effect of consistency was observed. Parameters possibly preventing the occurrence of consistency effects were ruled out, specifically, valence of inconsistent attributes, processing priority of category information, and impression formation instructions. However, consistency had subtle effects on evaluative judgments if the information about a target person was not strongly valenced and experimental conditions were optimal. Concluding, in principle, both stereotype valence and consistency can play a role in evaluative judgments of stereotypic target persons. However, the more subtle influence of consistency does not seem to substantially influence evaluations of stereotyped target persons. Implications for fluency research and stereotype disconfirmation are discussed.
If You Don't Have Valence, Ask Your Neighbor: Evaluation of Neutral Words as a Function of Affective Semantic Associates

PubMed Central

Kuhlmann, Michael; Hofmann, Markus J.; Jacobs, Arthur M.

2017-01-01

How do humans perform difficult forced-choice evaluations, e.g., of words that have been previously rated as being neutral? Here we tested the hypothesis that in this case, the valence of semantic associates is of significant influence. From corpus based co-occurrence statistics as a measure of association strength we computed individual neighborhoods for single neutral words comprised of the 10 words with the largest association strength. We then selected neutral words according to the valence of the associated words included in the neighborhoods, which were either mostly positive, mostly negative, mostly neutral or mixed positive and negative, and tested them using a valence decision task (VDT). The data showed that the valence of semantic neighbors can predict valence judgments to neutral words. However, all but the positive neighborhood items revealed a high tendency to elicit negative responses. For the positive and negative neighborhood categories responses congruent with the neighborhood's valence were faster than incongruent responses. We interpret this effect as a semantic network process that supports the evaluation of neutral words by assessing the valence of the associative semantic neighborhood. In this perspective, valence is considered a semantic super-feature, at least partially represented in associative activation patterns of semantic networks. PMID:28348538
Emotional valence and physical space: limits of interaction.

PubMed

de la Vega, Irmgard; de Filippis, Mónica; Lachmair, Martin; Dudschig, Carolin; Kaup, Barbara

2012-04-01

According to the body-specificity hypothesis, people associate positive things with the side of space that corresponds to their dominant hand and negative things with the side corresponding to their nondominant hand. Our aim was to find out whether this association holds also true for a response time study using linguistic stimuli, and whether such an association is activated automatically. Four experiments explored this association using positive and negative words. In Exp. 1, right-handers made a lexical judgment by pressing a left or right key. Attention was not explicitly drawn to the valence of the stimuli. No valence-by-side interaction emerged. In Exp. 2 and 3, right-handers and left-handers made a valence judgment by pressing a left or a right key. A valence-by-side interaction emerged: For positive words, responses were faster when participants responded with their dominant hand, whereas for negative words, responses were faster for the nondominant hand. Exp. 4 required a valence judgment without stating an explicit mapping of valence and side. No valence-by-side interaction emerged. The experiments provide evidence for an association between response side and valence, which, however, does not seem to be activated automatically but rather requires a task with an explicit response mapping to occur.
If You Don't Have Valence, Ask Your Neighbor: Evaluation of Neutral Words as a Function of Affective Semantic Associates.

PubMed

Kuhlmann, Michael; Hofmann, Markus J; Jacobs, Arthur M

2017-01-01

How do humans perform difficult forced-choice evaluations, e.g., of words that have been previously rated as being neutral? Here we tested the hypothesis that in this case, the valence of semantic associates is of significant influence. From corpus based co-occurrence statistics as a measure of association strength we computed individual neighborhoods for single neutral words comprised of the 10 words with the largest association strength. We then selected neutral words according to the valence of the associated words included in the neighborhoods, which were either mostly positive, mostly negative, mostly neutral or mixed positive and negative, and tested them using a valence decision task (VDT). The data showed that the valence of semantic neighbors can predict valence judgments to neutral words. However, all but the positive neighborhood items revealed a high tendency to elicit negative responses. For the positive and negative neighborhood categories responses congruent with the neighborhood's valence were faster than incongruent responses. We interpret this effect as a semantic network process that supports the evaluation of neutral words by assessing the valence of the associative semantic neighborhood. In this perspective, valence is considered a semantic super-feature, at least partially represented in associative activation patterns of semantic networks.
Open-Minded Midwifes, Literate Butchers, and Greedy Hooligans—The Independent Contributions of Stereotype Valence and Consistency on Evaluative Judgments

PubMed Central

Schubert, Lisa; Körner, Anita; Lindau, Berit; Strack, Fritz; Topolinski, Sascha

2017-01-01

Do people evaluate an open-minded midwife less positively than a caring midwife? Both open-minded and caring are generally seen as positive attributes. However, consistency varies—the attribute caring is consistent with the midwife stereotype while open-minded is not. In general, both stimulus valence and consistency can influence evaluations. Six experiments investigated the respective influence of valence and consistency on evaluative judgments in the domain of stereotyping. In an impression formation paradigm, valence and consistency of stereotypic information about target persons were manipulated orthogonally and spontaneous evaluations of these target persons were measured. Valence reliably influenced evaluations. However, for strongly valenced stereotypes, no effect of consistency was observed. Parameters possibly preventing the occurrence of consistency effects were ruled out, specifically, valence of inconsistent attributes, processing priority of category information, and impression formation instructions. However, consistency had subtle effects on evaluative judgments if the information about a target person was not strongly valenced and experimental conditions were optimal. Concluding, in principle, both stereotype valence and consistency can play a role in evaluative judgments of stereotypic target persons. However, the more subtle influence of consistency does not seem to substantially influence evaluations of stereotyped target persons. Implications for fluency research and stereotype disconfirmation are discussed. PMID:29062289
Positive valence music restores executive control over sustained attention

PubMed Central

Lewis, Bridget A.

2017-01-01

Music sometimes improves performance in sustained attention tasks. But the type of music employed in previous investigations has varied considerably, which can account for equivocal results. Progress has been hampered by lack of a systematic database of music varying in key characteristics like tempo and valence. The aims of this study were to establish a database of popular music varying along the dimensions of tempo and valence and to examine the impact of music varying along these dimensions on restoring attentional resources following performance of a sustained attention to response task (SART) vigil. Sixty-nine participants rated popular musical selections that varied in valence and tempo to establish a database of four musical types: fast tempo positive valence, fast tempo negative valence, slow tempo positive valence, and slow tempo negative valence. A second group of 89 participants performed two blocks of the SART task interspersed with either no break or a rest break consisting of 1 of the 4 types of music or silence. Presenting positive valence music (particularly of slow tempo) during an intermission between two successive blocks of the SART significantly decreased miss rates relative to negative valence music or silence. Results support an attentional restoration theory of the impact of music on sustained attention, rather than arousal theory and demonstrate a means of restoring sustained attention. Further, the results establish the validity of a music database that will facilitate further investigations of the impact of music on performance. PMID:29145395
Positive valence music restores executive control over sustained attention.

PubMed

Baldwin, Carryl L; Lewis, Bridget A

2017-01-01

Music sometimes improves performance in sustained attention tasks. But the type of music employed in previous investigations has varied considerably, which can account for equivocal results. Progress has been hampered by lack of a systematic database of music varying in key characteristics like tempo and valence. The aims of this study were to establish a database of popular music varying along the dimensions of tempo and valence and to examine the impact of music varying along these dimensions on restoring attentional resources following performance of a sustained attention to response task (SART) vigil. Sixty-nine participants rated popular musical selections that varied in valence and tempo to establish a database of four musical types: fast tempo positive valence, fast tempo negative valence, slow tempo positive valence, and slow tempo negative valence. A second group of 89 participants performed two blocks of the SART task interspersed with either no break or a rest break consisting of 1 of the 4 types of music or silence. Presenting positive valence music (particularly of slow tempo) during an intermission between two successive blocks of the SART significantly decreased miss rates relative to negative valence music or silence. Results support an attentional restoration theory of the impact of music on sustained attention, rather than arousal theory and demonstrate a means of restoring sustained attention. Further, the results establish the validity of a music database that will facilitate further investigations of the impact of music on performance.
Development of a novel in silico model of zeta potential for metal oxide nanoparticles: a nano-QSPR approach

NASA Astrophysics Data System (ADS)

Wyrzykowska, Ewelina; Mikolajczyk, Alicja; Sikorska, Celina; Puzyn, Tomasz

2016-11-01

Once released into the aquatic environment, nanoparticles (NPs) are expected to interact (e.g. dissolve, agglomerate/aggregate, settle), with important consequences for NP fate and toxicity. A clear understanding of how internal and environmental factors influence the NP toxicity and fate in the environment is still in its infancy. In this study, a quantitative structure-property relationship (QSPR) approach was employed to systematically explore factors that affect surface charge (zeta potential) under environmentally realistic conditions. The nano-QSPR model developed with multiple linear regression (MLR) was characterized by high robustness ({{{Q}}{{2}}}{{CV}}=0.90) and external predictivity ({{{Q}}{{2}}}{{EXT}}=0.93). The results clearly showed that zeta potential values varied markedly as functions of the ionic radius of the metal atom in the metal oxides, confirming that agglomeration and the extent of release of free MexOy largely depend on their intrinsic properties. A developed nano-QSPR model was successfully applied to predict zeta potential in an ionized solution of NPs for which experimentally determined values of response have been unavailable. Hence, the application of our model is possible when the values of zeta potential in the ionized solution for metal oxide nanoparticles are undetermined, without the necessity of performing more time consuming and expensive experiments. We believe that our studies will be helpful in predicting the conditions under which MexOy is likely to become problematic for the environment and human health.

Effects of image charges, interfacial charge discreteness, and surface roughness on the zeta potential of spherical electric double layers.

PubMed

Gan, Zecheng; Xing, Xiangjun; Xu, Zhenli

2012-07-21

We investigate the effects of image charges, interfacial charge discreteness, and surface roughness on spherical electric double layer structures in electrolyte solutions with divalent counterions in the setting of the primitive model. By using Monte Carlo simulations and the image charge method, the zeta potential profile and the integrated charge distribution function are computed for varying surface charge strengths and salt concentrations. Systematic comparisons were carried out between three distinct models for interfacial charges: (1) SURF1 with uniform surface charges, (2) SURF2 with discrete point charges on the interface, and (3) SURF3 with discrete interfacial charges and finite excluded volume. By comparing the integrated charge distribution function and the zeta potential profile, we argue that the potential at the distance of one ion diameter from the macroion surface is a suitable location to define the zeta potential. In SURF2 model, we find that image charge effects strongly enhance charge inversion for monovalent interfacial charges, and strongly suppress charge inversion for multivalent interfacial charges. For SURF3, the image charge effect becomes much smaller. Finally, with image charges in action, we find that excluded volumes (in SURF3) suppress charge inversion for monovalent interfacial charges and enhance charge inversion for multivalent interfacial charges. Overall, our results demonstrate that all these aspects, i.e., image charges, interfacial charge discreteness, their excluding volumes, have significant impacts on zeta potentials of electric double layers.
Chromospheric Structure and Wind Acceleration in Zeta Aur Stars

NASA Technical Reports Server (NTRS)

Bennett, Philip D.

2001-01-01

This NASA grant supported an analysis of the variability of the wind of the supergiant primary star (K4 Ib) in the eclipsing binary Zeta Aurigae (Zeta Aur). In the ultraviolet, the main-sequence companion star (B5 V) dominates the observed flux, and therefore serves as a convenient probe of the cool supergiant's wind. This study utilized the extensive set of (100+) ultraviolet spectroscopic observations obtained with the International Ultraviolet Explorer (IUE) satellite over its operational lifetime of 1978-1995. Although the resolution of IUE is limited (about 25 km/s), it is adequate to resolve variability in the wind features in Zeta Aur's ultraviolet spectrum, which are blueshifted 70 km/s from line center. Our analysis used the tau-v technique of Cardelli and Savage, which makes full use of the available line profile information. We find that the wind column densities vary by up to an order of magnitude over time. These results are being written up for submission to the Astrophysical Journal as the third paper of a series on the chromosphere and wind of Zeta Aurigae. The first two papers report on the construction of mean chromosphere and wind models respectively, based on HST/GHRS observations and funded by STScI. The third paper - this research - reports on variability of the Zeta Aur wind as determined from our analysis of the long IUE time series. This paper will be completed within the next three months; the delay in publication was to allow the completion of Papers 1 and 2, which logically precede the present work. Therefore, an additional no-cost extension was requested in order to ensure budgeted funds remain available for publication of this work. Unfortunately, this request was denied, and so I am forced to write this final report before publication of Paper 3. Regardless, this paper will be submitted for publication within the next three months.
Dynamic Light Scattering and Zeta Potential of Colloidal Mixtures of Amelogenin and Hydroxyapatite in Calcium and Phosphate Rich Ionic Milieus

PubMed Central

Uskoković, Vuk; Odsinada, Roselyn; Djordjevic, Sonia; Habelitz, Stefan

2011-01-01

The concept of zeta-potential has been used for more than a century as a basic parameter in controlling the stability of colloidal suspensions, irrespective of the nature of their particulate ingredients – organic or inorganic. There are prospects that self-assembly of peptide species and the protein-mineral interactions related to biomineralization may be controlled using this fundamental physicochemical parameter. In this study, we have analyzed the particle size and zeta-potential of the full-length recombinant human amelogenin (rH174), the main protein of the developing enamel matrix, in the presence of calcium and phosphate ions and hydroxyapatite (HAP) particles. As calcium and phosphate salts are introduced to rH174 sols in increments, zeta-potential of the rH174 nanospheres is more affected by negatively charged ions, suggesting their tendency to locate within the double charge layer. Phosphate ions have a more pronounced effect on both the zeta-potential and aggregation propensity of rH174 nanospheres compared to calcium ions. The isoelectric point of amelogenin was independent on the ionic strength of the solution and the concentration of calcium and/or phosphate ions. Whereas rH174 shows a higher affinity for phosphate than for calcium, HAP attracts both of these ions to the shear plane of the double layer. The parallel size and zeta-potential analysis of HAP and rH174 colloidal mixtures indicated that at pH 7.4, despite both HAP and rH174 particles being negatively charged, rH174 adsorbs well onto HAP particles. The process is slower at pH 7.4 than at pH 4.5 when the HAP surface is negatively charged and the rH174 nanosphere carries an overall positive charge. The results presented hereby demonstrate that electrostatic interactions can affect the kinetics of the adsorption of rH174 onto HAP. PMID:21146151
HD 93521, zeta Ophiuchi, and the effects of rapid rotation on the atmospheres and winds of 09.5 V stars

NASA Technical Reports Server (NTRS)

Massa, Derck

1995-01-01

Both low- and high-resolution IUE spectra of the rapidly rotating 09.5 V stars HD 93521 and zeta Oph are used to develop a coherent picture of the effects of rapid rotation on the atmospheres and winds of late, main-sequence O stars. The observational consequences are by far the strongest on HD 93521, most likely because it is being viewed nearly equator-on. In particular, it is shown that HD 93521 (1) a much smaller UV optical flux ratio than expected, (2) UV photospheric lines indicative of a BO supergiant, (3) an abnormally strong N v wind doublet, and (4) wind profiles suggesting that its wind has latitudinally dependent properties. Because HD 93521 has a larger observed v sin i than zeta Oph and yet its H-alpha emission is no stronger than in zeta Oph, it is speculated that zeta Oph actually rotates as fast or faster than HD 93521, but has a smaller sin i. Because zeta Oph is significantly reddened, nothing can be determined about its intrinsic UV energy distribution. However, it is shown that its UV photospheric lines are a bit peculiar and that its C IV and N V wind doublets are abnormally strong and have unusual profiles. The C IV profile agrees with models of a rotationally distorted wind similar to the one in HD 93521, except viewed at an angle i approximately 60 deg-80 deg. The spectral peculiarities of both stars are attributed to the combined effects of gravity darkening of their atmospheres and rotational distortion of their winds. The differences between their spectra are interpreted as the result of being viewed at different inclination angles. Because of the gravity darkening, atmospheric analyses of either star based on single temperature and surface gravity model atmospheres are probably unreliable. Finally, I describe how different effects conspire to make the spectroscopic signatures of gravity darkening so pronounced at 09.5 V.
Effects of age condition on the distribution and integrity of inorganic fillers in dental resin composites.

PubMed

D'Alpino, Paulo Henrique Perlatti; Svizero, Nádia da Rocha; Bim Júnior, Odair; Valduga, Claudete Justina; Graeff, Carlos Frederico de Oliveira; Sauro, Salvatore

2016-06-01

The aim of this study is to evaluate the distribution of the filler size along with the zeta potential, and the integrity of silane-bonded filler surface in different types of restorative dental composites as a function of the material age condition. Filtek P60 (hybrid composite), Filtek Z250 (small-particle filled composite), Filtek Z350XT (nanofilled composite), and Filtek Silorane (silorane composite) (3M ESPE) were tested at different stage condition (i.e., fresh/new, aged, and expired). Composites were submitted to an accelerated aging protocol (Arrhenius model). Specimens were obtained by first diluting each composite specimen in ethanol and then dispersed in potassium chloride solution (0.001 mol%). Composite fillers were characterized for their zeta potential, mean particle size, size distribution, via poly-dispersion dynamic light scattering. The integrity of the silane-bonded surface of the fillers was characterized by FTIR. The material age influenced significantly the outcomes; Zeta potential, filler characteristics, and silane integrity varied both after aging and expiration. Silorane presented the broadest filler distribution and lowest zeta potential. Nanofilled and silorane composites exhibited decreased peak intensities in the FTIR analysis, indicating a deficiency of the silane integrity after aging or expiry time. Regardless to the material condition, the hybrid and the small-particle-filled composites were more stable overtime as no significant alteration in filler size distribution, diameter, and zeta potential occurred. A deficiency in the silane integrity in the nanofilled and silorane composites seems to be affected by the material stage condition. The materials conditions tested in this study influenced the filler size distribution, the zeta potential, and integrity of the silane adsorbed on fillers in the nanofilled and silorane composites. Thus, this may result in a decrease of the clinical performance of aforementioned composites, in particular, if these are used after inappropriate storage conditions.
Can Eccentric Debris Disks Be Long-lived? A First Numerical Investigation and Application to Zeta(exp 2) Reticuli

NASA Technical Reports Server (NTRS)

Faramaz, V.; Beust, H.; Thebault, P.; Augereau, J.-C.; Bonsor, A.; delBurgo, C.; Ertel, S.; Marshall, J. P.; Milli, J.; Montesinos, B.;

2014-01-01

Context. Imaging of debris disks has found evidence for both eccentric and offset disks. One hypothesis is that they provide evidence for massive perturbers, for example, planets or binary companions, which sculpt the observed structures. One such disk was recently observed in the far-IR by the Herschel Space Observatory around Zeta2 Reticuli. In contrast with previously reported systems, the disk is significantly eccentric, and the system is several Gyr old. Aims. We aim to investigate the long-term evolution of eccentric structures in debris disks caused by a perturber on an eccentric orbit around the star. We hypothesise that the observed eccentric disk around Zeta2 Reticuli might be evidence of such a scenario. If so, we are able to constrain the mass and orbit of a potential perturber, either a giant planet or a binary companion. Methods. Analytical techniques were used to predict the effects of a perturber on a debris disk. Numerical N-body simulations were used to verify these results and further investigate the observable structures that may be produced by eccentric perturbers. The long-term evolution of the disk geometry was examined, with particular application to the Zeta2 Reticuli system. In addition, synthetic images of the disk were produced for direct comparison with Herschel observations. Results. We show that an eccentric companion can produce both the observed offsets and eccentric disks. These effects are not immediate, and we characterise the timescale required for the disk to develop to an eccentric state (and any spirals to vanish). For Zeta2 Reticuli, we derive limits on the mass and orbit of the companion required to produce the observations. Synthetic images show that the pattern observed around Zeta2 Reticuli can be produced by an eccentric disk seen close to edge-on, and allow us to bring additional constraints on the disk parameters of our model (disk flux and extent). Conclusions. We conclude that eccentric planets or stellar companions can induce long-lived eccentric structures in debris disks. Observations of such eccentric structures thus provide potential evidence of the presence of such a companion in a planetary system. We considered the specific example of Zeta2 Reticuli, whose observed eccentric disk can be explained by a distant companion (at tens of AU) on an eccentric orbit (ep greater than approx. 0.3).

Context and wine quality effects on consumers' mood, emotions, liking and willingness to pay for Australian Shiraz wines.

PubMed

Danner, Lukas; Ristic, Renata; Johnson, Trent E; Meiselman, Herbert L; Hoek, Annet C; Jeffery, David W; Bastian, Susan E P

2016-11-01

This study investigated the effect of different contexts on consumers' mood, product-evoked emotions, liking and willingness to pay for wine. Three consumer trials (n=114, 115, and 120) examined 3 different sample sets of 4 Australian commercial Shiraz wines. Each sample set was comprised of a high, medium-high, medium-low and low quality wine as designated by an expert panel. Wine consumers evaluated the same set of wines in the three different contexts, ranging from a highly-controlled laboratory setting to more realistic restaurant and at-home settings. Results showed that high quality wines were liked more and elicited more intense emotions of positive valence compared to wines of lower quality. Context effects were observed on emotions, but not on liking, indicating that although emotions and liking are correlated, the measurement of emotions can deliver additional information over liking. Tasting wine in the restaurant context evoked more intense positive emotions compared to the home and laboratory contexts. Participants' mood before tasting the wines had a strong influence on consecutive product-evoked emotion ratings, but only weak influence on liking ratings. Furthermore, a strong relationship between wine-evoked emotions and willingness to pay was observed, showing that if a wine-evoked more intense emotion of positive valence e.g., contented, enthusiastic, happy, optimistic and passionate participants were willing to pay significantly more for a bottle. Additionally, the absence of negative emotions, even if typically evoked to a very weak extent, is a requirement for an increased willingness to pay. This study indicates it is worthwhile to consider context and emotions in wine testing and marketing. Copyright © 2016 Elsevier Ltd. All rights reserved.
Alternative formulation of explicitly correlated third-order Møller-Plesset perturbation theory

NASA Astrophysics Data System (ADS)

Ohnishi, Yu-ya; Ten-no, Seiichiro

2013-09-01

The second-order wave operator in the explicitly correlated wave function theory has been newly defined as an extension of the conventional s- and p-wave (SP) ansatz (also referred to as the FIXED amplitude ansatz) based on the linked-diagram theorem. The newly defined second-order wave operator has been applied to the calculation of the F12 correction to the third-order many-body perturbation (MP3) energy. In addition to this new wave operator, the F12 correction with the conventional first-order wave operator has been derived and calculated. Among three components of the MP3 correlation energy, the particle ladder contribution, which has shown the slowest convergence with respect to the basis set size, is fairly ameliorated by employing these F12 corrections. Both the newly defined and conventional formalisms of the F12 corrections exhibit a similar recovery of over 90% of the complete basis set limit of the particle ladder contribution of the MP3 correlation energy with a triple-zeta quality basis set for the neon atom, while the amount is about 75% without the F12 correction. The corrections to the ring term are small but the corrected energy has shown similar recovery as the particle ladder term. The hole ladder term has shown a rapid convergence even without the F12 corrections. Owing to these balanced recoveries, the deviation of the total MP3 correlation energy from the complete basis set limit has been calculated to be about 1 kcal/mol with the triple-zeta quality basis set, which is more than five times smaller than the error without the F12 correction.
Distinct Brain Systems Underlie the Processing of Valence and Arousal of Affective Pictures

ERIC Educational Resources Information Center

Nielen, M. M. A.; Heslenfeld, D. J.; Heinen, K.; Van Strien, J. W.; Witter, M. P.; Jonker, C.; Veltman, D. J.

2009-01-01

Valence and arousal are thought to be the primary dimensions of human emotion. However, the degree to which valence and arousal interact in determining brain responses to emotional pictures is still elusive. This functional MRI study aimed to delineate neural systems responding to valence and arousal, and their interaction. We measured neural…
Epitaxial growth of single-orientation high-quality MoS2 monolayers

NASA Astrophysics Data System (ADS)

Bana, Harsh; Travaglia, Elisabetta; Bignardi, Luca; Lacovig, Paolo; Sanders, Charlotte E.; Dendzik, Maciej; Michiardi, Matteo; Bianchi, Marco; Lizzit, Daniel; Presel, Francesco; De Angelis, Dario; Apostol, Nicoleta; Das, Pranab Kumar; Fujii, Jun; Vobornik, Ivana; Larciprete, Rosanna; Baraldi, Alessandro; Hofmann, Philip; Lizzit, Silvano

2018-07-01

We present a study on the growth and characterization of high-quality single-layer MoS2 with a single orientation, i.e. without the presence of mirror domains. This single orientation of the MoS2 layer is established by means of x-ray photoelectron diffraction. The high quality is evidenced by combining scanning tunneling microscopy with x-ray photoelectron spectroscopy measurements. Spin- and angle-resolved photoemission experiments performed on the sample revealed complete spin-polarization of the valence band states near the K and -K points of the Brillouin zone. These findings open up the possibility to exploit the spin and valley degrees of freedom for encoding and processing information in devices that are based on epitaxially grown materials.
Preliminary X-ray crystallographic analysis of glutathione transferase zeta 1 (GSTZ1a-1a)

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

Boone, Christopher D.; Zhong, Guo; Smeltz, Marci

2014-01-21

Crystals of glutathione transferase zeta 1 were grown and shown to diffract X-rays to 3.1 Å resolution. They belonged to space group P1, with unit-cell parameters a = 42.0, b = 49.6, c = 54.6 Å, α = 82.9, β = 69.9, γ = 73.4°.
Computational strategies for the Riemann zeta function

NASA Astrophysics Data System (ADS)

Borwein, Jonathan M.; Bradley, David M.; Crandall, Richard E.

2000-09-01

We provide a compendium of evaluation methods for the Riemann zeta function, presenting formulae ranging from historical attempts to recently found convergent series to curious oddities old and new. We concentrate primarily on practical computational issues, such issues depending on the domain of the argument, the desired speed of computation, and the incidence of what we call "value recycling".
On small values of the Riemann zeta-function at Gram points

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

Korolev, M A

In this paper, we prove the existence of a large set of Gram points t{sub n} such that the values ζ(0.5+it{sub n}) are 'anomalously' close to zero. A lower bound for the negative 'discrete' moment of the Riemann zeta-function on the critical line is also given. Bibliography: 13 titles.
Meta-Analysis of Correlations Revisited: Attempted Replication and Extension of Field's (2001) Simulation Studies

ERIC Educational Resources Information Center

Hafdahl, Adam R.; Williams, Michelle A.

2009-01-01

In 2 Monte Carlo studies of fixed- and random-effects meta-analysis for correlations, A. P. Field (2001) ostensibly evaluated Hedges-Olkin-Vevea Fisher-[zeta] and Schmidt-Hunter Pearson-r estimators and tests in 120 conditions. Some authors have cited those results as evidence not to meta-analyze Fisher-[zeta] correlations, especially with…
Generalized zeta function representation of groups and 2-dimensional topological Yang-Mills theory: The example of GL(2, #Mathematical Double-Struck Capital F#{sub q}) and PGL(2, #Mathematical Double-Struck Capital F#{sub q})

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

Roche, Ph., E-mail: philippe.roche@univ-montp2.fr

We recall the relation between zeta function representation of groups and two-dimensional topological Yang-Mills theory through Mednikh formula. We prove various generalisations of Mednikh formulas and define generalization of zeta function representations of groups. We compute some of these functions in the case of the finite group GL(2, #Mathematical Double-Struck Capital F#{sub q}) and PGL(2, #Mathematical Double-Struck Capital F#{sub q}). We recall the table characters of these groups for any q, compute the Frobenius-Schur indicator of their irreducible representations, and give the explicit structure of their fusion rings.
Averages of ratios of the Riemann zeta-function and correlations of divisor sums

NASA Astrophysics Data System (ADS)

Conrey, Brian; Keating, Jonathan P.

2017-10-01

Nonlinearity has published articles containing a significant number-theoretic component since the journal was first established. We examine one thread, concerning the statistics of the zeros of the Riemann zeta function. We extend this by establishing a connection between the ratios conjecture for the Riemann zeta-function and a conjecture concerning correlations of convolutions of Möbius and divisor functions. Specifically, we prove that the ratios conjecture and an arithmetic correlations conjecture imply the same result. This provides new support for the ratios conjecture, which previously had been motivated by analogy with formulae in random matrix theory and by a heuristic recipe. Our main theorem generalises a recent calculation pertaining to the special case of two-over-two ratios.
Carbon and nitrogen abundances in the supergiants HD 93840 and zeta Per

NASA Technical Reports Server (NTRS)

Massa, Derck; Altner, Bruce; Wynne, David; Lamers, H. J. G. L. M.

1990-01-01

The BN supergiant HD 93840 is shown to have the same temperature and surface gravity as the normal Bi Ib zeta Per. Differential abundance analysis of their C 4 and N 5 wind line profiles are found. The results are independent of the usual model atmosphere analyses and, therefore, a valuable check on them. Ratios for the C and N surface abundances in HD 93840 compared to Per of 1:10 and 4.6:1 are found respectively. By introducing a simple model for the compositions of both atmospheres the fraction of material in each atmosphere which has undergone CNO processing, more than 90 percent for HD 93840 and less than about 15 percent for zeta Per, is derived.
How Do Thoughts, Emotions, and Decisions Align? A New Way to Examine Theory of Mind in Middle Childhood and Beyond

PubMed Central

Lagattuta, Kristin Hansen

2016-01-01

The current study examined 4- to 10-year-olds’ and adults’ (N = 280) tendency to connect people’s thoughts, emotions, and decisions into valence-matched mental state triads (thought valence = emotion valence = decision valence; such as, anticipate something bad + feel worried + avoid) and valence-matched mental state dyads (thought-emotion, thought-decision, and emotion-decision). Participants heard vignettes about focal characters who re-encountered individuals who had previously harmed them twice, helped them twice, or both harmed and helped them. Baseline trials involved no past experience. Children and adults predicted the focal characters’ thoughts (anticipate something good or bad), emotions (feel happy or worried), and decisions (go near or stay away). Results showed significant increases between 4 and 10 years in the formation of valence-matched mental state triads and dyads, with thoughts and emotions most often aligned by valence. We also documented age-related improvement in awareness that uncertain situations elicit less valence-consistent mental states than more certain situations, with females expecting weaker coherence among characters’ thoughts, emotions, and decisions than males. Controlling for age and sex, individuals with stronger executive function (working memory and inhibitory control) predicted more valence-aligned mental states. These findings add to the emerging literature on development and individual differences in children’s reasoning about mental states and emotions during middle childhood and beyond. PMID:27017060
Negativity bias for sad faces in depression: An event-related potential study.

PubMed

Dai, Qin; Wei, Juanjuan; Shu, Xiaorui; Feng, Zhengzhi

2016-12-01

Negativity bias in depression has been previously confirmed. However, mainly during a valence category task, it remains unclear how happy or unhappy individuals perceive emotional materials. Moreover, cerebral alteration measurements during a valence judgment task is lacking. The present study aimed to explore a valence judgment of a valence rating task, combined with event-related potential (ERP) recording. Healthy controls, individuals with sub-clinical depression, and patients diagnosed with major depressive disorder (MDD) were recruited. Twenty-four subjects in each group completed a valence rating task, during which the ERP amplitudes were recorded. The MDD group had lower valence scores, faster responses, and greater N1 amplitudes for sad faces, whereas individuals with sub-clinical depression had faster responses and greater P1 amplitudes for all faces but lower valence scores and greater P2 amplitudes for happy faces. The findings suggest the tendency toward a negativity bias in valence ratings in patients with depression supported by behavioral and cerebral evidence, which is a latent trait of depression, possibly associated with the vulnerability of depression. The current study offers the first experimental evidence of cognitive and cerebral biomarkers of negativity bias in valence ratings in depression, which confirms Beck's cognitive theory and gives important direction for clinical therapy. Copyright © 2016 International Federation of Clinical Neurophysiology. Published by Elsevier Ireland Ltd. All rights reserved.
Contracts, covenants and advance care planning: an empirical study of the moral obligations of patient and proxy.

PubMed

Fins, Joseph J; Maltby, Barbara S; Friedmann, Erika; Greene, Michele G; Norris, Kaye; Adelman, Ronald; Byock, Ira

2005-01-01

Previously we had speculated that the patient-proxy relationship existed on a contractual to covenantal continuum. In order to assess this hypothesis, and to better understand the moral obligations of the patient-proxy relationship, we surveyed 50 patient-proxy pairs as well as 52 individuals who had acted as proxies for someone who had died. Using structured vignettes representative of three distinct disease trajectories (cancer, acute stroke, and congestive heart failure), we assessed whether respondents believed that proxies should follow explicit instructions regarding life-sustaining therapy and act contractually or whether more discretionary or covenantal judgments were ethically permissible. Additional variables included the valence of initial patient instructions--for example, "to do nothing" or "to do everything"--as well as the quality of information available to the proxy. Responses were graded on a contractual to covenantal continuum using a modified Likert scale employing a prospectively scored survey instrument. Our data indicate that the patient-proxy relationship exists on a contractual to covenantal continuum and that variables such as disease trajectory, the clarity of prognosis, instructional valence, and the quality of patient instructions result in statistically significant differences in response. The use of interpretative or covenantal judgment was desired by patients and proxies when the prognosis was grim, even if initial instructions were to pursue more aggressive care. Nonetheless, there was a valence effect: patients and proxies intended that negative instructions to be left alone be heeded. These data suggest that the delegation of patient self-determination is morally complex. Advance care planning should take into account both the exercise of autonomy and the interpretative burdens assumed by the proxy. Patients and proxies think inductively and contextually. Neither group viewed deviation from patient instructions as a violation of the principal's autonomy. Instead of adhering to narrow notions of patient self-determination, respondents made nuanced and contextually informed moral judgments. These findings have implications for patient education as well as the legal norms that guide advance care planning.

Valence Scaling of Dynamic Facial Expressions Is Altered in High-Functioning Subjects with Autism Spectrum Disorders: An FMRI Study

ERIC Educational Resources Information Center

Rahko, Jukka S.; Paakki, Jyri-Johan; Starck, Tuomo H.; Nikkinen, Juha; Pauls, David L.; Katsyri, Jari V.; Jansson-Verkasalo, Eira M.; Carter, Alice S.; Hurtig, Tuula M.; Mattila, Marja-Leena; Jussila, Katja K.; Remes, Jukka J.; Kuusikko-Gauffin, Sanna A.; Sams, Mikko E.; Bolte, Sven; Ebeling, Hanna E.; Moilanen, Irma K.; Tervonen, Osmo; Kiviniemi, Vesa

2012-01-01

FMRI was performed with the dynamic facial expressions fear and happiness. This was done to detect differences in valence processing between 25 subjects with autism spectrum disorders (ASDs) and 27 typically developing controls. Valence scaling was abnormal in ASDs. Positive valence induces lower deactivation and abnormally strong activity in ASD…
Modelling audiovisual integration of affect from videos and music.

PubMed

Gao, Chuanji; Wedell, Douglas H; Kim, Jongwan; Weber, Christine E; Shinkareva, Svetlana V

2018-05-01

Two experiments examined how affective values from visual and auditory modalities are integrated. Experiment 1 paired music and videos drawn from three levels of valence while holding arousal constant. Experiment 2 included a parallel combination of three levels of arousal while holding valence constant. In each experiment, participants rated their affective states after unimodal and multimodal presentations. Experiment 1 revealed a congruency effect in which stimulus combinations of the same extreme valence resulted in more extreme state ratings than component stimuli presented in isolation. An interaction between music and video valence reflected the greater influence of negative affect. Video valence was found to have a significantly greater effect on combined ratings than music valence. The pattern of data was explained by a five parameter differential weight averaging model that attributed greater weight to the visual modality and increased weight with decreasing values of valence. Experiment 2 revealed a congruency effect only for high arousal combinations and no interaction effects. This pattern was explained by a three parameter constant weight averaging model with greater weight for the auditory modality and a very low arousal value for the initial state. These results demonstrate key differences in audiovisual integration between valence and arousal.
Emotionally Negative Pictures Enhance Gist Memory

PubMed Central

Bookbinder, S. H.; Brainerd, C. J.

2016-01-01

In prior work on how true and false memory are influenced by emotion, valence and arousal have often been conflated. Thus, it is difficult to say which specific effects are due to valence and which are due to arousal. In the present research, we used a picture-memory paradigm that allowed emotional valence to be manipulated with arousal held constant. Negatively-valenced pictures elevated both true and false memory, relative to positive and neutral pictures. Conjoint recognition modeling revealed that negative valence (a) reduced erroneous suppression of true memories and (b) increased the familiarity of the semantic content of both true and false memories. Overall, negative valence impaired the verbatim side of episodic memory but enhanced the gist side, and these effects persisted even after a week-long delay. PMID:27454002
Automating Content Analysis of Open-Ended Responses: Wordscores and Affective Intonation

PubMed Central

Baek, Young Min; Cappella, Joseph N.; Bindman, Alyssa

2014-01-01

This study presents automated methods for predicting valence and quantifying valenced thoughts of a text. First, it examines whether Wordscores, developed by Laver, Benoit, and Garry (2003), can be adapted to reliably predict the valence of open-ended responses in a survey about bioethical issues in genetics research, and then tests a complementary and novel technique for coding the number of valenced thoughts in open-ended responses, termed Affective Intonation. Results show that Wordscores successfully predicts the valence of brief and grammatically imperfect open-ended responses, and Affective Intonation achieves comparable performance to human coders when estimating number of valenced thoughts. Both Wordscores and Affective Intonation have promise as reliable, effective, and efficient methods when researchers content-analyze large amounts of textual data systematically. PMID:25558294
The transition from the open minimum to the ring minimum on the ground state and on the lowest excited state of like symmetry in ozone: A configuration interaction study

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

Theis, Daniel; Windus, Theresa L.; Ruedenberg, Klaus

The metastable ring structure of the ozone 1{sup 1}A{sub 1} ground state, which theoretical calculations have shown to exist, has so far eluded experimental detection. An accurate prediction for the energy difference between this isomer and the lower open structure is therefore of interest, as is a prediction for the isomerization barrier between them, which results from interactions between the lowest two {sup 1}A{sub 1} states. In the present work, valence correlated energies of the 1{sup 1}A{sub 1} state and the 2{sup 1}A{sub 1} state were calculated at the 1{sup 1}A{sub 1} open minimum, the 1{sup 1}A{sub 1} ring minimum,more » the transition state between these two minima, the minimum of the 2{sup 1}A{sub 1} state, and the conical intersection between the two states. The geometries were determined at the full-valence multi-configuration self-consistent-field level. Configuration interaction (CI) expansions up to quadruple excitations were calculated with triple-zeta atomic basis sets. The CI expansions based on eight different reference configuration spaces were explored. To obtain some of the quadruple excitation energies, the method of Correlation Energy Extrapolation by Intrinsic Scaling was generalized to the simultaneous extrapolation for two states. This extrapolation method was shown to be very accurate. On the other hand, none of the CI expansions were found to have converged to millihartree (mh) accuracy at the quadruple excitation level. The data suggest that convergence to mh accuracy is probably attained at the sextuple excitation level. On the 1{sup 1}A{sub 1} state, the present calculations yield the estimates of (ring minimum—open minimum) ∼45–50 mh and (transition state—open minimum) ∼85–90 mh. For the (2{sup 1}A{sub 1}–{sup 1}A{sub 1}) excitation energy, the estimate of ∼130–170 mh is found at the open minimum and 270–310 mh at the ring minimum. At the transition state, the difference (2{sup 1}A{sub 1}–{sup 1}A{sub 1}) is found to be between 1 and 10 mh. The geometry of the transition state on the 1{sup 1}A{sub 1} surface and that of the minimum on the 2{sup 1}A{sub 1} surface nearly coincide. More accurate predictions of the energy differences also require CI expansions to at least sextuple excitations with respect to the valence space. For every wave function considered, the omission of the correlations of the 2s oxygen orbitals, which is a widely used approximation, was found to cause errors of about ±10 mh with respect to the energy differences.« less
Motivation and attention: Incongruent effects of feedback on the processing of valence.

PubMed

Rothermund, Klaus

2003-09-01

Four experiments investigated the relation between outcome-related motivational states and processes of automatic attention allocation. Experiments 1-3 analyzed influences of feedback on evaluative decisions. Words of opposite valence to the feedback were processed faster, indicating that it is easier to allocate attention to the valence of an affectively incongruent word. Experiment 4 replicated the incongruent effect with interference effects of word valence in a grammatical-categorization task, indicating that the effect reflects automatic attentional capture. In all experiments, incongruent effects of feedback emerged only in a situation involving an attentional shift between words that differed in valence.
Theoretical study of mixed MLaX(4) (M = Na, K, Cs; X = F, Cl, Br, I) rare earth/alkali metal halide complexes.

PubMed

Groen, Cornelis Petrus; Oskam, Ad; Kovács, Attila

2003-02-10

The structure, bonding, and vibrational properties of the mixed MLaX(4) (M = Na, K, Cs; X = F, Cl, Br, I) rare earth/alkali metal halide complexes have been studied using the MP2 method in conjunction with polarized triple-zeta valence basis sets and quasi-relativistic effective core potentials for the heavy atoms. From the three characteristic structures, possessing 1- (C(3)(v)), 2- (C(2)(v)), or 3-fold coordination (C(3)(v)) between the alkali metal and the bridging halide atoms, the bi- and tridentate forms are stable isomers with close dissociation energies. In general, for the complexes existing of lighter alkali metals and halogens, the bidentate structure corresponds to the global minimum of the potential energy surface, while the heavier analogues favor the tridentate structure. At experimentally relevant temperatures (T > 800 K), however, the isomerization entropy leads to a domination of the bidentate structures over the tridentate forms for all complexes. An important effect of the size of the alkali metal is manifested in the larger stabilities of the K and Cs complexes. The natural atomic charges are in agreement with strong electrostatic interactions in the title complexes. The marginal covalent contributions show a slight increasing trend in the heavier analogues. The calculated vibrational data indicate that infrared spectroscopy may be an effective tool for experimental investigation and characterization of MLaX(4) molecules.
Density functional theory study of the reaction mechanism for competitive carbon-hydrogen and carbon-halogen bond activations catalyzed by transition metal complexes.

PubMed

Yang, Xinzheng; Hall, Michael B

2009-03-12

Carbon-hydrogen and carbon-halogen bond activations between halobenzenes and metal centers were studied by density functional theory with the nonempirical meta-GGA Tao-Perdew-Staroverov-Scuseria functional and an all-electron correlation-consistent polarized valence double-zeta basis set. Our calculations demonstrate that the hydrogen on the metal center and halogen in halobenzene could exchange directly through a kite-shaped transition state. Transition states with this structure were previously predicted to have high energy barriers (J. Am. Chem. Soc. 2005, 127, 279), and this prediction misled others in proposing a mechanism for their recent experimental study (J. Am. Chem. Soc. 2006, 128, 3303). Furthermore, other halo-carbon activation pathways were found in the detailed mechanism for the competitive reactions between cationic titanium hydride complex [Cp*((t)Bu(3)P=N)TiH](+) and chlorobenzene under different pressure of H(2). These pathways include the ortho-C-H and Ti-H bond activations for the formation and release of H(2) and the indirect C-Cl bond activation via beta-halogen elimination for the movement of the C(6)H(4) ring and the formation of a C-N bond in the observed final product. A new stable isomer of the observed product with a similar total energy and an unexpected bridging between the Cp* ring and the metal center by a phenyl ring is also predicted.
Benchmark quality total atomization energies of small polyatomic molecules

NASA Astrophysics Data System (ADS)

Martin, Jan M. L.; Taylor, Peter R.

1997-05-01

Successive coupled-cluster [CCSD(T)] calculations in basis sets of spdf, spdfg, and spdfgh quality, combined with separate Schwartz-type extrapolations A+B/(l+1/2)α of the self-consistent field (SCF) and correlation energies, permit the calculations of molecular total atomization energies (TAEs) with a mean absolute error of as low as 0.12 kcal/mol. For the largest molecule treated, C2H4, we find ∑D0=532.0 kcal/mol, in perfect agreement with experiment. The aug-cc-pV5Z basis set recovers on average about 99% of the valence correlation contribution to the TAE, and essentially the entire SCF contribution.
Contextual blending of ingroup/outgroup face stimuli and word valence: LPP modulation and convergence of measures.

PubMed

Hurtado, Esteban; Haye, Andrés; González, Ramiro; Manes, Facundo; Ibáñez, Agustiń

2009-06-26

Several event related potential (ERP) studies have investigated the time course of different aspects of evaluative processing in social bias research. Various reports suggest that the late positive potential (LPP) is modulated by basic evaluative processes, and some reports suggest that in-/outgroup relative position affects ERP responses. In order to study possible LPP blending between facial race processing and semantic valence (positive or negative words), we recorded ERPs while indigenous and non-indigenous participants who were matched by age and gender performed an implicit association test (IAT). The task involved categorizing faces (ingroup and outgroup) and words (positive and negative). Since our paradigm implies an evaluative task with positive and negative valence association, a frontal distribution of LPPs similar to that found in previous reports was expected. At the same time, we predicted that LPP valence lateralization would be modulated not only by positive/negative associations but also by particular combinations of valence, face stimuli and participant relative position. Results showed that, during an IAT, indigenous participants with greater behavioral ingroup bias displayed a frontal LPP that was modulated in terms of complex contextual associations involving ethnic group and valence. The LPP was lateralized to the right for negative valence stimuli and to the left for positive valence stimuli. This valence lateralization was influenced by the combination of valence and membership type relevant to compatibility with prejudice toward a minority. Behavioral data from the IAT and an explicit attitudes questionnaire were used to clarify this finding and showed that ingroup bias plays an important role. Both ingroup favoritism and indigenous/non-indigenous differences were consistently present in the data. Our results suggest that frontal LPP is elicited by contextual blending of evaluative judgments of in-/outgroup information and positive vs. negative valence association and confirm recent research relating in-/outgroup ERP modulation and frontal LPP. LPP modulation may cohere with implicit measures of attitudes. The convergence of measures that were observed supports the idea that racial and valence evaluations are strongly influenced by context. This result adds to a growing set of evidence concerning contextual sensitivity of different measures of prejudice.
Red blood cell membrane viscoelasticity, agglutination and zeta potential measurements with double optical tweezers

NASA Astrophysics Data System (ADS)

Fontes, Adriana; Fernandes, Heloise P.; Barjas-Castro, Maria L.; de Thomaz, André A.; de Ysasa Pozzo, Liliana; Barbosa, Luiz C.; Cesar, Carlos L.

2006-02-01

The red blood cell (RBC) viscoelastic membrane contains proteins and glycolproteins embedded in, or attached, to a fluid lipid bilayer and are negatively charged, which creates a repulsive electric (zeta) potential between the cells and prevents their aggregation in the blood stream. There are techniques, however, to decrease the zeta potential to allow cell agglutination which are the basis of most of the tests of antigen-antibody interactions in blood banks. This report shows the use of a double optical tweezers to measure RBC membrane viscosity, agglutination and zeta potential. In our technique one of the optical tweezers trap a silica bead that binds strongly to a RBC at the end of a RBCs rouleaux and, at the same time, acts as a pico-Newton force transducer, after calibration through its displacement from the equilibrium position. The other optical tweezers trap the RBC at the other end. To measure the membrane viscosity the optical force is measured as a function of the velocity between the RBCs. To measure the adhesion the tweezers are slowly displaced apart until the RBCs disagglutination happens. The RBC zeta potential is measured in two complimentary ways, by the force on the silica bead attached to a single RBC in response to an applied electric field, and the conventional way, by the measurement of terminal velocity of the RBC after released from the optical trap. These two measurements provide information about the RBC charges and, also, electrolytic solution properties. We believe this can improve the methods of diagnosis in blood banks.
Electrokinetically driven active micro-mixers utilizing zeta potential variation induced by field effect

NASA Astrophysics Data System (ADS)

Lee, Chia-Yen; Lee, Gwo-Bin; Fu, Lung-Ming; Lee, Kuo-Hoong; Yang, Ruey-Jen

2004-10-01

This paper presents a new electrokinetically driven active micro-mixer which uses localized capacitance effects to induce zeta potential variations along the surface of silica-based microchannels. The mixer is fabricated by etching bulk flow and shielding electrode channels into glass substrates and then depositing Au/Cr thin films within the latter to form capacitor electrodes, which establish localized zeta potential variations near the electrical double layer (EDL) region of the electroosmotic flow (EOF) within the microchannels. The potential variations induce flow velocity changes within a homogeneous fluid and a rapid mixing effect if an alternating electric field is provided. The current experimental data confirm that the fluid velocity can be actively controlled by using the capacitance effect of the buried shielding electrodes to vary the zeta potential along the channel walls. While compared with commonly used planar electrodes across the microchannels, the buried shielding electrodes prevent current leakage caused by bad bonding and allow direct optical observation during operation. It also shows that the buried shielding electrodes can significantly induce the field effect, resulting in higher variations of zeta potential. Computational fluid dynamic simulations are also used to study the fluid characteristics of the developed active mixers. The numerical and experimental results demonstrate that the developed microfluidic device permits a high degree of control over the fluid flow and an efficient mixing effect. Moreover, the developed device could be used as a pumping device as well. The development of the active electrokinetically driven micro-mixer could be crucial for micro-total-analysis-systems.
Boundary Conditions for the Maintenance of Memory by PKM[zeta] in Neocortex

ERIC Educational Resources Information Center

Shema, Reul; Hazvi, Shoshi; Sacktor, Todd C.; Dudai, Yadin

2009-01-01

We report here that ZIP, a selective inhibitor of the atypical protein kinase C isoform PKM[zeta], abolishes very long-term conditioned taste aversion (CTA) associations in the insular cortex of the behaving rat, at least 3 mo after encoding. The effect of ZIP is not replicated by a general serine/threonine protein kinase inhibitor that is…
Asymptotic analysis on a pseudo-Hermitian Riemann-zeta Hamiltonian

NASA Astrophysics Data System (ADS)

Bender, Carl M.; Brody, Dorje C.

2018-04-01

The differential-equation eigenvalue problem associated with a recently-introduced Hamiltonian, whose eigenvalues correspond to the zeros of the Riemann zeta function, is analyzed using Fourier and WKB analysis. The Fourier analysis leads to a challenging open problem concerning the formulation of the eigenvalue problem in the momentum space. The WKB analysis gives the exact asymptotic behavior of the eigenfunction.
Lysine N[superscript zeta]-Decarboxylation Switch and Activation of the [beta]-Lactam Sensor Domain of BlaR1 Protein of Methicillin-resistant Staphylococcus aureus

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

Borbulevych, Oleg; Kumarasiri, Malika; Wilson, Brian

The integral membrane protein BlaR1 of methicillin-resistant Staphylococcus aureus senses the presence of {beta}-lactam antibiotics in the milieu and transduces the information to the cytoplasm, where the biochemical events that unleash induction of antibiotic resistance mechanisms take place. We report herein by two-dimensional and three-dimensional NMR experiments of the sensor domain of BlaR1 in solution and by determination of an x-ray structure for the apo protein that Lys-392 of the antibiotic-binding site is posttranslationally modified by N{sup {zeta}}-carboxylation. Additional crystallographic and NMR data reveal that on acylation of Ser-389 by antibiotics, Lys-392 experiences N{sup {zeta}}-decarboxylation. This unique process, termed themore » lysine N{sup {zeta}}-decarboxylation switch, arrests the sensor domain in the activated ('on') state, necessary for signal transduction and all the subsequent biochemical processes. We present structural information on how this receptor activation process takes place, imparting longevity to the antibiotic-receptor complex that is needed for the induction of the antibiotic-resistant phenotype in methicillin-resistant S. aureus.« less
An algorithm for simulating fracture of cohesive-frictional materials

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

Nukala, Phani K; Sampath, Rahul S; Barai, Pallab

Fracture of disordered frictional granular materials is dominated by interfacial failure response that is characterized by de-cohesion followed by frictional sliding response. To capture such an interfacial failure response, we introduce a cohesive-friction random fuse model (CFRFM), wherein the cohesive response of the interface is represented by a linear stress-strain response until a failure threshold, which is then followed by a constant response at a threshold lower than the initial failure threshold to represent the interfacial frictional sliding mechanism. This paper presents an efficient algorithm for simulating fracture of such disordered frictional granular materials using the CFRFM. We note that,more » when applied to perfectly plastic disordered materials, our algorithm is both theoretically and numerically equivalent to the traditional tangent algorithm (Roux and Hansen 1992 J. Physique II 2 1007) used for such simulations. However, the algorithm is general and is capable of modeling discontinuous interfacial response. Our numerical simulations using the algorithm indicate that the local and global roughness exponents ({zeta}{sub loc} and {zeta}, respectively) of the fracture surface are equal to each other, and the two-dimensional crack roughness exponent is estimated to be {zeta}{sub loc} = {zeta} = 0.69 {+-} 0.03.« less
Negative, but not positive emotional images modulate the startle response independent of conscious awareness.

PubMed

Reagh, Zachariah M; Knight, David C

2013-08-01

The emotional response to a threat is influenced by the valence of other stimuli in the environment. This emotional modulation of the threat-elicited response occurs even when negative valence stimuli are not consciously perceived. Relatively little prior research has investigated whether nonconsciously perceived positive valence stimuli modify the response to a threat, and the work that has been completed is in need of additional rigorous testing of stimulus and valence perception. The current study presented images of negative, neutral, and positive valence (1,000 ms and 17 ms durations), followed by a mask. A startle probe (100 dB whitenoise) was presented during 33% of each trial type while eyeblink electromyography (EMG) and skin conductance response (SCR) were measured. During the study, participants rated the emotional content of each image to assess valence perception. Participants accurately classified the valence of 1,000 ms images, but not 17 ms images. Further, participants performed at chance levels on an independent postexperimental forced-choice perception task using 17 ms masked images, indicating they were unable to perceive the valence and content of these images. Greater EMG and SCR were elicited by the startle probe during perceived and unperceived negative images compared to perceived and unperceived positive and neutral images. In addition, perceived, but not unperceived positive images diminished startle responses. The current findings suggest that images of negative valence potentiate the startle response in the absence of conscious stimulus perception. However, the attenuation of the startle response by positive images appears to require perception of the emotional valence of an image. PsycINFO Database Record (c) 2013 APA, all rights reserved.
Associations between attention, affect and cardiac activity in a single yoga session for female cancer survivors: an enactive neurophenomenology-based approach.

PubMed

Mackenzie, Michael J; Carlson, Linda E; Paskevich, David M; Ekkekakis, Panteleimon; Wurz, Amanda J; Wytsma, Kathryn; Krenz, Katie A; McAuley, Edward; Culos-Reed, S Nicole

2014-07-01

Yoga practice is reported to lead to improvements in quality of life, psychological functioning, and symptom indices in cancer survivors. Importantly, meditative states experienced within yoga practice are correlated to neurophysiological systems that moderate both focus of attention and affective valence. The current study used a mixed methods approach based in neurophenomenology to investigate associations between attention, affect, and cardiac activity during a single yoga session for female cancer survivors. Yoga practice was associated with a linear increase in associative attention and positive affective valence, while shifts in cardiac activity were related to the intensity of each yoga sequence. Changes in attention and affect were predicted by concurrently assessed cardiac activity. Awareness of breathing, physical movement, and increased relaxation were reported by participants as potential mechanisms for yoga's salutary effects. While yoga practice shares commonalities with exercise and relaxation training, yoga may serve primarily as a promising meditative attention-affect regulation training methodology. Copyright © 2014 Elsevier Inc. All rights reserved.
Emotionally negative pictures enhance gist memory.

PubMed

Bookbinder, S H; Brainerd, C J

2017-02-01

In prior work on how true and false memory are influenced by emotion, valence and arousal have often been conflated. Thus, it is difficult to say which specific effects are caused by valence and which are caused by arousal. In the present research, we used a picture-memory paradigm that allowed emotional valence to be manipulated with arousal held constant. Negatively valenced pictures elevated both true and false memory, relative to positive and neutral pictures. Conjoint recognition modeling revealed that negative valence (a) reduced erroneous suppression of true memories and (b) increased the familiarity of the semantic content of both true and false memories. Overall, negative valence impaired the verbatim side of episodic memory but enhanced the gist side, and these effects persisted even after a week-long delay. (PsycINFO Database Record (c) 2017 APA, all rights reserved).
Effects of Emotional Valence and Arousal on Time Perception

PubMed Central

Van Volkinburg, Heather; Balsam, Peter

2016-01-01

We examined the influence of emotional arousal and valence on estimating time intervals. A reproduction task was used in which images from the International Affective Picture System served as the stimuli to be timed. Experiment 1 assessed the effects of positive and negative valence at a moderate arousal level and Experiment 2 replicated Experiment 1 with the addition of a high arousal condition. Overestimation increased as a function of arousal during encoding of times regardless of valence. For images presented during reproduction, overestimation occurred at the moderate arousal level for positive and negative valence but underestimation occurred in the negative valence high arousal condition. The overestimation of time intervals produced by emotional arousal during encoding and during reproduction suggests that emotional stimuli affect temporal information processing in a qualitatively different way during different phases of temporal information processing. PMID:27110491

Measuring thought content valence after a breakup: Development of the Positive and Negative Ex-Relationship Thoughts (PANERT) scale.

PubMed

Brenner, Rachel E; Vogel, David L

2015-07-01

The end of a romantic relationship is a common and serious presenting concern among clients at university counseling centers. Researchers have highlighted the need to understand the nature of thoughts about an ex-relationship, because they may lead to unique clinical interventions. One aspect of thought that may be clinically relevant is content valence, or the positive or negative emotions associated with the content of the thought. Unfortunately, content valence has not been addressed in the romantic relationship dissolution literature. To address this omission, we developed the 12-item Positive and Negative Ex-Relationship Thoughts (PANERT) scale across 4 samples. In Sample 1 (n = 475), exploratory factor analyses demonstrated a multidimensional scale with 2 factors: positive content valence and negative content valence. Sample 2 (n = 509) and Sample 3 (n = 291) confirmed the factor structure in college and community samples. Internal consistencies ranged from .88-.94 for positive content valence and from .87-.94 for negative content valence. In Sample 4 (n = 133), construct validity was supported, with the PANERT factors uniquely predicting breakup distress, relationship preoccupation, depression, loss of self-concept, rediscovery of self-concept, negative emotional adjustment, and positive emotional adjustment. Further, the direction of these relationships suggest that positive thought content valence may be consistently maladaptive to recovery from an ex-relationship, and negative thought content valence may have maladaptive and adaptive features. Implications for future research and practice are discussed. (c) 2015 APA, all rights reserved).
How do thoughts, emotions, and decisions align? A new way to examine theory of mind during middle childhood and beyond.

PubMed

Lagattuta, Kristin Hansen; Elrod, Noel M; Kramer, Hannah J

2016-09-01

The current study examined 4- to 10-year-olds' and adults' (N=280) tendency to connect people's thoughts, emotions, and decisions into valence-matched mental state triads (thought valence=emotion valence=decision valence; e.g., anticipate something bad+feel worried+avoid) and valence-matched mental state dyads (thought-emotion, thought-decision, and emotion-decision). Participants heard vignettes about focal characters who re-encountered individuals who had previously harmed them twice, helped them twice, or both harmed and helped them. Baseline trials involved no past experience. Children and adults predicted the focal characters' thoughts (anticipate something good or bad), emotions (feel happy or worried), and decisions (go near or stay away). Results showed significant increases between 4 and 10years of age in the formation of valence-matched mental state triads and dyads, with thoughts and emotions most often aligned by valence. We also documented age-related improvement in awareness that uncertain situations elicit less valence-consistent mental states than more certain situations, with females expecting weaker coherence among characters' thoughts, emotions, and decisions than males. Controlling for age and sex, individuals with stronger executive function (working memory and inhibitory control) predicted more valence-aligned mental states. These findings add to the emerging literature on development and individual differences in children's reasoning about mental states and emotions during middle childhood and beyond. Copyright © 2016 Elsevier Inc. All rights reserved.
From Motion to Emotion: Accelerometer Data Predict Subjective Experience of Music

PubMed Central

Irrgang, Melanie

2016-01-01

Music is often discussed to be emotional because it reflects expressive movements in audible form. Thus, a valid approach to measure musical emotion could be to assess movement stimulated by music. In two experiments we evaluated the discriminative power of mobile-device generated acceleration data produced by free movement during music listening for the prediction of ratings on the Geneva Emotion Music Scales (GEMS-9). The quality of prediction for different dimensions of GEMS varied between experiments for tenderness (R12(first experiment) = 0.50, R22(second experiment) = 0.39), nostalgia (R12 = 0.42, R22 = 0.30), wonder (R12 = 0.25, R22 = 0.34), sadness (R12 = 0.24, R22 = 0.35), peacefulness (R12 = 0.20, R22 = 0.35) and joy (R12 = 0.19, R22 = 0.33) and transcendence (R12 = 0.14, R22 = 0.00). For others like power (R12 = 0.42, R22 = 0.49) and tension (R12 = 0.28, R22 = 0.27) results could be almost reproduced. Furthermore, we extracted two principle components from GEMS ratings, one representing arousal and the other one valence of the experienced feeling. Both qualities, arousal and valence, could be predicted by acceleration data, indicating, that they provide information on the quantity and quality of experience. On the one hand, these findings show how music-evoked movement patterns relate to music-evoked feelings. On the other hand, they contribute to integrate findings from the field of embodied music cognition into music recommender systems. PMID:27415015
From Motion to Emotion: Accelerometer Data Predict Subjective Experience of Music.

PubMed

Irrgang, Melanie; Egermann, Hauke

2016-01-01

Music is often discussed to be emotional because it reflects expressive movements in audible form. Thus, a valid approach to measure musical emotion could be to assess movement stimulated by music. In two experiments we evaluated the discriminative power of mobile-device generated acceleration data produced by free movement during music listening for the prediction of ratings on the Geneva Emotion Music Scales (GEMS-9). The quality of prediction for different dimensions of GEMS varied between experiments for tenderness (R12(first experiment) = 0.50, R22(second experiment) = 0.39), nostalgia (R12 = 0.42, R22 = 0.30), wonder (R12 = 0.25, R22 = 0.34), sadness (R12 = 0.24, R22 = 0.35), peacefulness (R12 = 0.20, R22 = 0.35) and joy (R12 = 0.19, R22 = 0.33) and transcendence (R12 = 0.14, R22 = 0.00). For others like power (R12 = 0.42, R22 = 0.49) and tension (R12 = 0.28, R22 = 0.27) results could be almost reproduced. Furthermore, we extracted two principle components from GEMS ratings, one representing arousal and the other one valence of the experienced feeling. Both qualities, arousal and valence, could be predicted by acceleration data, indicating, that they provide information on the quantity and quality of experience. On the one hand, these findings show how music-evoked movement patterns relate to music-evoked feelings. On the other hand, they contribute to integrate findings from the field of embodied music cognition into music recommender systems.
Flotation of algae for water reuse and biomass production: role of zeta potential and surfactant to separate algal particles.

PubMed

Kwak, Dong-Heui; Kim, Mi-Sug

2015-01-01

The effect of chemical coagulation and biological auto-flocculation relative to zeta potential was examined to compare flotation and sedimentation separation processes for algae harvesting. Experiments revealed that microalgae separation is related to auto-flocculation of Anabaena spp. and requires chemical coagulation for the whole period of microalgae cultivation. In addition, microalgae separation characteristics which are associated with surfactants demonstrated optimal microalgae cultivation time and separation efficiency of dissolved CO2 flotation (DCF) as an alternative to dissolved air flotation (DAF). Microalgae were significantly separated in response to anionic surfactant rather than cationic surfactant as a function of bubble size and zeta potential. DAF and DCF both showed slightly efficient flotation; however, application of anionic surfactant was required when using DCF.
Effect of additive on Zeta potential and particle size of nickel nanoparticles

NASA Astrophysics Data System (ADS)

Sharma, Vikash; Tarachand, Chotia, Chandrabhan; Okram, G. S.

2017-05-01

Nickel nanoparticles (NPs) were prepared by thermal decomposition method using Oleylamine (OLY) as a solvent and Trioctylphosphine (TOP) as a surfactant. We have investigated the effect of pH and addition of Ethylenediamine tetraacetic acid (EDTA) on the stability and particle size of Ni NPs using zeta potential and particle size analyser. Coating of the surfactants on the surface of Ni NPs was confirmed by Fourier transform infrared (FTIR) spectroscopy. Autotitration study of zeta potential of these NPs in ethanol by dynamic light scattering (DLS) at different pH values confirmed an isoelectric point (IEP) at pH = 3.64 in ethanol and pH = 3.04 after addition of EDTA in ethanol. It was observed that addition of EDTA in nanosuspension enhances stability of Ni-NPs significantly.
A new gene deletion in the alpha-like globin gene cluster as the molecular basis for the rare alpha-thalassemia-1(--/alpha alpha) in blacks: HbH disease in sickle cell trait.

PubMed

Steinberg, M H; Coleman, M B; Adams, J G; Hartmann, R C; Saba, H; Anagnou, N P

1986-02-01

A novel deletion of at least 26 kilobase of DNA, including both alpha-globin genes, the psi alpha- and psi zeta-globin genes, but sparing the functional zeta-gene was found in a 10-year-old black boy with HbH disease and sickle cell trait. This particular deletion has not previously been described in blacks. Its existence makes it likely that the absence of Hb Barts hydrops fetalis in blacks is due to the rarity of the chromosome lacking two alpha-globin genes rather than a result of early embryonic death due to the failure to synthesize embryonic hemoglobins because of deletion of functional zeta-globin genes.
Two-dimensional electromagnetic Child-Langmuir law of a short-pulse electron flow

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

Chen, S. H.; Tai, L. C.; Liu, Y. L.

Two-dimensional electromagnetic particle-in-cell simulations were performed to study the effect of the displacement current and the self-magnetic field on the space charge limited current density or the Child-Langmuir law of a short-pulse electron flow with a propagation distance of {zeta} and an emitting width of W from the classical regime to the relativistic regime. Numerical scaling of the two-dimensional electromagnetic Child-Langmuir law was constructed and it scales with ({zeta}/W) and ({zeta}/W){sup 2} at the classical and relativistic regimes, respectively. Our findings reveal that the displacement current can considerably enhance the space charge limited current density as compared to the well-knownmore » two-dimensional electrostatic Child-Langmuir law even at the classical regime.« less
The Effect of Action Valence and Race on 3- to 8-Year-Old Children's Social Cognitive Judgments

ERIC Educational Resources Information Center

Arterberry, Martha E.; Hughes, Brittany C.; Mejia, Barbara

2015-01-01

The present study investigated children's judgments of actions as a function of the valence of the action and the race of the actor. Three- to 8-year-old children were read an illustrated storybook in which 1 character did not share (a negatively valenced action) and the other character was helpful (a positively valenced action). The race of the…
Simultaneous conditioning of valence and arousal.

PubMed

Gawronski, Bertram; Mitchell, Derek G V

2014-01-01

Evaluative conditioning (EC) refers to the change in the valence of a conditioned stimulus (CS) due to its pairing with a positive or negative unconditioned stimulus (US). To the extent that core affect can be characterised by the two dimensions of valence and arousal, EC has important implications for the origin of affective responses. However, the distinction between valence and arousal is rarely considered in research on EC or conditioned responses more generally. Measuring the subjective feelings elicited by a CS, the results from two experiments showed that (1) repeated pairings of a CS with a positive or negative US of either high or low arousal led to corresponding changes in both CS valence and CS arousal, (2) changes in CS arousal, but not changes in CS valence, were significantly related to recollective memory for CS-US pairings, (3) subsequent presentations of the CS without the US reduced the conditioned valence of the CS, with conditioned arousal being less susceptible to extinction and (4) EC effects were stronger for high arousal than low arousal USs. The results indicate that the conditioning of affective responses can occur simultaneously along two independent dimensions, supporting evidence in related areas that calls for a consideration of both valence and arousal. Implications for research on EC and the acquisition of emotional dispositions are discussed.
Lying about the valence of affective pictures: an fMRI study.

PubMed

Lee, Tatia M C; Lee, Tiffany M Y; Raine, Adrian; Chan, Chetwyn C H

2010-08-25

The neural correlates of lying about affective information were studied using a functional magnetic resonance imaging (fMRI) methodology. Specifically, 13 healthy right-handed Chinese men were instructed to lie about the valence, positive or negative, of pictures selected from the International Affective Picture System (IAPS) while their brain activity was scanned by a 3T Philip Achieva scanner. The key finding is that the neural activity associated with deception is valence-related. Comparing to telling the truth, deception about the valence of the affectively positive pictures was associated with activity in the inferior frontal, cingulate, inferior parietal, precuneus, and middle temporal regions. Lying about the valence of the affectively negative pictures, on the other hand, was associated with activity in the orbital and medial frontal regions. While a clear valence-related effect on deception was observed, common neural regions were also recruited for the process of deception about the valence of the affective pictures. These regions included the lateral prefrontal and inferior parietal regions. Activity in these regions has been widely reported in fMRI studies on deception using affectively-neutral stimuli. The findings of this study reveal the effect of valence on the neural activity associated with deception. Furthermore, the data also help to illustrate the complexity of the neural mechanisms underlying deception.
Pressure and magnetic field effects on the valence transition of EuRh2Si2

NASA Astrophysics Data System (ADS)

Mitsuda, Akihiro; Kishaba, Eigo; Fujimoto, Takumi; Oyama, Kohei; Wada, Hirofumi; Mizumaki, Masaichiro; Kawamura, Naomi; Ishimatsu, Naoki

2018-05-01

We have measured the X-ray absorption spectra (XAS), electrical resistivity and magnetic susceptibility of EuRh2Si2, which undergoes a valence transition under high pressures. A sharp decrease in the Eu valence determined from the XAS was observed at around 70 K in the temperature dependence at P = 1.2-1.9 GPa. In the temperature dependence of electrical resistivity and magnetic susceptibility, we observed jumps associated with the temperature-induced valence transition under high pressures. The magnetoresistance detected a field-induced valence transition. The results are discussed from the thermodynamic point of view.
Pressure-Induced Valence Crossover and Novel Metamagnetic Behavior near the Antiferromagnetic Quantum Phase Transition of YbNi3Ga9

NASA Astrophysics Data System (ADS)

Matsubayashi, K.; Hirayama, T.; Yamashita, T.; Ohara, S.; Kawamura, N.; Mizumaki, M.; Ishimatsu, N.; Watanabe, S.; Kitagawa, K.; Uwatoko, Y.

2015-02-01

We report electrical resistivity, ac magnetic susceptibility, and x-ray absorption spectroscopy measurements of intermediate valence YbNi3Ga9 under pressure and magnetic field. We have revealed a characteristic pressure-induced Yb valence crossover within the temperature-pressure phase diagram, and a first-order metamagnetic transition is found below Pc˜9 GPa where the system undergoes a pressure-induced antiferromagnetic transition. As a possible origin of the metamagnetic behavior, a critical valence fluctuation emerging near the critical point of the first-order valence transition is discussed on the basis of the temperature-field-pressure phase diagram.
The valence bond glass phase

NASA Astrophysics Data System (ADS)

Tarzia, M.; Biroli, G.

2008-06-01

We show that a new glassy phase can emerge in the presence of strong magnetic frustration and quantum fluctuations. It is a valence bond glass (VBG). We study its properties solving the Hubbard-Heisenberg model on a Bethe lattice within the large-N limit introduced by Affleck and Marston. We work out the phase diagram that contains Fermi liquid, dimer and valence bond glass phases. This new glassy phase has no electronic or spin gap (although a pseudo-gap is observed), it is characterized by long-range critical valence bond correlations and is not related to any magnetic ordering. As a consequence, it is quite different from both valence bond crystals and spin glasses.
The allocation of valenced concepts onto 3D space.

PubMed

Marmolejo-Ramos, Fernando; Tirado, Carlos; Arshamian, Edward; Vélez, Jorge Iván; Arshamian, Artin

2018-06-01

The valence-space metaphor research area investigates the metaphorical mapping of valenced concepts onto space. Research findings from this area indicate that positive, neutral, and negative concepts are associated with upward, midward, and downward locations, respectively, in the vertical plane. The same research area has also indicated that such concepts seem to have no preferential location on the horizontal plane. The approach-avoidance effect consists in decreasing the distance between positive stimuli and the body (i.e. approach) and increasing the distance between negative stimuli and the body (i.e. avoid). Thus, the valence-space metaphor accounts for the mapping of valenced concepts onto the vertical and horizontal planes, and the approach-avoidance effect accounts for the mapping of valenced concepts onto the "depth" plane. By using a cube conceived for the study of allocation of valenced concepts onto 3D space, we show in three studies that positive concepts are placed in upward locations and near the participants' body, negative concepts are placed in downward locations and far from the participants' body, and neutral concepts are placed in between these concepts in both planes.
Resonant photoemission spectroscopic studies of SnO2 thin films

NASA Astrophysics Data System (ADS)

Kumar, Sunil; Chauhan, R. S.; Panchal, Gyanendra; Singh, C. P.; Dar, Tanveer A.; Phase, D. M.; Choudhary, R. J.

2017-09-01

We report the structural and electronic properties of single phase, polycrystalline rutile tetragonal SnO2 thin film grown on Si (100) substrate by pulsed laser deposition technique. X-ray photoelectron and resonant photoemission spectroscopic (RPES) studies divulge that Sn is present in 4+ (˜91%) valence state with a very small involvement of 2+ (˜9%) valence state at the surface. Valence band spectrum of the film shows prominent contribution due to the Sn4+ valence state. RPES measurements were performed in the Sn 4d→5p photo absorption region. This study shows that O-2p, Sn-5s, and Sn-5p partial density of states are the main contributions to the valence band of this material. The resonance behavior of these three contributions has been analyzed. Constant initial state versus photon energy plots suggest that the low binding energy feature at ˜2.8 eV results from the hybridization of the O-2p and mixed valence states of Sn, while remaining features at higher binding energies are due to the hybridization between O-2p (bonding) orbitals and Sn4+ valence state.
Bond-valence methods for pKa prediction. II. Bond-valence, electrostatic, molecular geometry, and solvation effects

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

Bickmore, Barry R.; Rosso, Kevin M.; Tadanier, Christopher J.

2006-08-15

In a previous contribution, we outlined a method for predicting (hydr)oxy-acid and oxide surface acidity constants based on three main factors: bond valence, Me?O bond ionicity, and molecular shape. Here electrostatics calculations and ab initio molecular dynamics simulations are used to qualitatively show that Me?O bond ionicity controls the extent to which the electrostatic work of proton removal departs from ideality, bond valence controls the extent of solvation of individual functional groups, and bond valence and molecular shape controls local dielectric response. These results are consistent with our model of acidity, but completely at odds with other methods of predictingmore » acidity constants for use in multisite complexation models. In particular, our ab initio molecular dynamics simulations of solvated monomers clearly indicate that hydrogen bonding between (hydr)oxo-groups and water molecules adjusts to obey the valence sum rule, rather than maintaining a fixed valence based on the coordination of the oxygen atom as predicted by the standard MUSIC model.« less
Emotional organization of autobiographical memory.

PubMed

Schulkind, Matthew D; Woldorf, Gillian M

2005-09-01

The emotional organization of autobiographical memory was examined by determining whether emotional cues would influence autobiographical retrieval in younger and older adults. Unfamiliar musical cues that represented orthogonal combinations of positive and negative valence and high and low arousal were used. Whereas cue valence influenced the valence of the retrieved memories, cue arousal did not affect arousal ratings. However, high-arousal cues were associated with reduced response latencies. A significant bias to report positive memories was observed, especially for the older adults, but neither the distribution of memories across the life span nor response latencies varied across memories differing in valence or arousal. These data indicate that emotional information can serve as effective cues for autobiographical memories and that autobiographical memories are organized in terms of emotional valence but not emotional arousal. Thus, current theories of autobiographical memory must be expanded to include emotional valence as a primary dimension of organization.
Effects of valence and arousal on written word recognition: time course and ERP correlates.

PubMed

Citron, Francesca M M; Weekes, Brendan S; Ferstl, Evelyn C

2013-01-15

Models of affect assume a two-dimensional framework, composed of emotional valence and arousal. Although neuroimaging evidence supports a neuro-functional distinction of their effects during single word processing, electrophysiological studies have not yet compared the effects of arousal within the same category of valence (positive and negative). Here we investigate effects of arousal and valence on written lexical decision. Amplitude differences between emotion and neutral words were seen in the early posterior negativity (EPN), the late positive complex and in a sustained slow positivity. In addition, trends towards interactive effects of valence and arousal were observed in the EPN, showing larger amplitude for positive, high-arousal and negative, low-arousal words. The results provide initial evidence for interactions between arousal and valence during processing of positive words and highlight the importance of both variables in studies of emotional stimulus processing. Crown Copyright © 2012. Published by Elsevier Ireland Ltd. All rights reserved.
Influence of emotional valence and arousal on the spread of activation in memory.

PubMed

Jhean-Larose, Sandra; Leveau, Nicolas; Denhière, Guy

2014-11-01

Controversy still persists on whether emotional valence and arousal influence cognitive activities. Our study sought to compare how these two factors foster the spread of activation within the semantic network. In a lexical decision task, prime words were varied depending on the valence (pleasant or unpleasant) or on the level of emotional arousal (high or low). Target words were carefully selected to avoid semantic priming effects, as well as to avoid arousing specific emotions (neutral). Three SOA durations (220, 420 and 720 ms) were applied across three independent groups. Results indicate that at 220 ms, the effect of arousal is significantly higher than the effect of valence in facilitating spreading activation while at 420 ms, the effect of valence is significantly higher than the effect of arousal in facilitating spreading activation. These findings suggest that affect is a sequential process involving the successive intervention of arousal and valence.

Nature of the valence band states in Bi2(Ca, Sr, La)3Cu2O8

NASA Astrophysics Data System (ADS)

Wells, B. O.; Lindberg, P. A. P.; Shen, Z.-X.; Dessau, D. S.; Spicer, W. E.; Lindau, I.; Mitzi, D. B.; Kapitulnik, A.

1990-01-01

We have used photoemission spectroscopy to examine the symmetry of the occupied states of the valence band for the La doped superconductor Bi2(Ca, Sr, La)3Cu2O8. While the oxygen states near the bottom of the 7 eV wide valence band exhibit predominantly O 2pz symmetry, the states at the top of the valence band extending to the Fermi level are found to have primarily O 2px and O 2py character. We have also examined anomalous intensity enhancements in the valence band feature for photon energies near 18 eV. These enhancements, which occur at photon energies ranging from 15.8 to 18.0 eV for the different valence band features, are not consistent with either simple final state effects or direct O2s transitions to unoccupied O2p states.
Valence-band states in Bi2(Ca,Sr,La)3Cu2O8

NASA Astrophysics Data System (ADS)

Wells, B. O.; Lindberg, P. A. P.; Shen, Z.-X.; Dessau, D. S.; Spicer, W. E.; Lindau, I.; Mitzi, D. B.; Kapitulnik, A.

1989-09-01

We have used photoemission spectroscopy to examine the symmetry of the occupied states of the valence band for the La-doped superconductor Bi2(Ca,Sr,La)3Cu2O8. While the oxygen states near the bottom of the 7-eV wide valence band exhibit predominantly O 2pz symmetry, the states at the top of the valence band extending to the Fermi level are found to have primarily O 2px and O 2py character. We have also examined anomalous intensity enhancements in the valence-band features for photon energies near 18 eV. These enhancements, which occur at photon energies ranging from 15.8 to 18.0 eV for the different valence-band features, are not consistent with either simple final-state effects or direct O 2s transitions to unoccupied O 2p states.
Subliminal Affect Valence Words Change Conscious Mood Potency but Not Valence: Is This Evidence for Unconscious Valence Affect?

PubMed Central

Shevrin, Howard; Panksepp, Jaak; Brakel, Linda A. W.; Snodgrass, Michael

2012-01-01

Whether or not affect can be unconscious remains controversial. Research claiming to demonstrate unconscious affect fails to establish clearly unconscious stimulus conditions. The few investigations that have established unconscious conditions fail to rule out conscious affect changes. We report two studies in which unconscious stimulus conditions were met and conscious mood changes measured. The subliminal stimuli were positive and negative affect words presented at the objective detection threshold; conscious mood changes were measured with standard manikin valence, potency, and arousal scales. We found and replicated that unconscious emotional stimuli produced conscious mood changes on the potency scale but not on the valence scale. Were positive and negative affects aroused unconsciously, but reflected consciously in potency changes? Or were the valence words unconscious cognitive causes of conscious mood changes being activated without unconscious affect? A thought experiment is offered as a way to resolve this dilemma. PMID:24961258
Effects of Emotion on Associative Recognition: Valence and Retention Interval Matter

PubMed Central

Pierce, Benton H.; Kensinger, Elizabeth A.

2011-01-01

In two experiments, we examined the effects of emotional valence and arousal on associative binding. Participants studied negative, positive, and neutral word pairs, followed by an associative recognition test. In Experiment 1, with a short-delayed test, accuracy for intact pairs was equivalent across valences, whereas accuracy for rearranged pairs was lower for negative than for positive and neutral pairs. In Experiment 2, we tested participants after a one-week delay and found that accuracy was greater for intact negative than for intact neutral pairs, whereas rearranged pair accuracy was equivalent across valences. These results suggest that, although negative emotional valence impairs associative binding after a short delay, it may improve binding after a longer delay. The results also suggest that valence, as well as arousal, needs to be considered when examining the effects of emotion on associative memory. PMID:21401233
Architectural Representation of Valence in the Limbic System

PubMed Central

Namburi, Praneeth; Al-Hasani, Ream; Calhoon, Gwendolyn G; Bruchas, Michael R; Tye, Kay M

2016-01-01

In order to thrive, animals must be able to recognize aversive and appetitive stimuli within the environment and subsequently initiate appropriate behavioral responses. This assignment of positive or negative valence to a stimulus is a key feature of emotional processing, the neural substrates of which have been a topic of study for several decades. Until recently, the result of this work has been the identification of specific brain regions, such as the basolateral amygdala (BLA) and nucleus accumbens (NAc), as important to valence encoding. The advent of modern tools in neuroscience has allowed further dissection of these regions to identify specific populations of neurons signaling the valence of environmental stimuli. In this review, we focus upon recent work examining the mechanisms of valence encoding, and provide a model for the systematic investigation of valence within anatomically-, genetically-, and functionally defined populations of neurons. PMID:26647973
Accurate determination of the valence band edge in hard x-ray photoemission spectra using GW theory

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

Lischner, Johannes, E-mail: jlischner597@gmail.com; Department of Physics and Department of Materials and the Thomas Young Centre for Theory and Simulation of Materials, Imperial College London, London SW7 2AZ; Nemšák, Slavomír

We introduce a new method for determining accurate values of the valence-band maximum in x-ray photoemission spectra. Specifically, we align the sharpest peak in the valence-band region of the experimental spectrum with the corresponding feature of a theoretical valence-band density of states curve from ab initio GW theory calculations. This method is particularly useful for soft and hard x-ray photoemission studies of materials with a mixture of valence-band characters, where strong matrix element effects can render standard methods for extracting the valence-band maximum unreliable. We apply our method to hydrogen-terminated boron-doped diamond, which is a promising substrate material for novelmore » solar cell devices. By carrying out photoemission experiments with variable light polarizations, we verify the accuracy of our analysis and the general validity of the method.« less
Pressure and temperature dependence of the Ce valence and c -f hybridization gap in Ce T2In5(T =Co ,Rh ,Ir ) heavy-fermion superconductors

NASA Astrophysics Data System (ADS)

Yamaoka, H.; Yamamoto, Y.; Schwier, E. F.; Honda, F.; Zekko, Y.; Ohta, Y.; Lin, J.-F.; Nakatake, M.; Iwasawa, H.; Arita, M.; Shimada, K.; Hiraoka, N.; Ishii, H.; Tsuei, K.-D.; Mizuki, J.

2015-12-01

Pressure- and temperature-induced changes in the Ce valence and c -f hybridization of the Ce115 superconductors have been studied systematically. Resonant x-ray-emission spectroscopy indicated that the increase of the Ce valence with pressure was significant for CeCoIn5, and moderate for CeIr (In0.925Cd0.075)5 . We found no abrupt change of the Ce valence in the Kondo regime for CeIr (In0.925Cd0.075)5 , which suggests that valence fluctuations are unlikely to mediate the superconductivity in this material. X-ray-diffraction results were consistent with the pressure-induced change in the Ce valence. High-resolution photoelectron spectroscopy revealed a temperature-dependent reduction of the spectral intensity at the Fermi level, indicating enhanced c -f hybridization on cooling.
Influence of plasma conditions on the defect formation mechanism in amorphous hydrogenated silicon

NASA Astrophysics Data System (ADS)

Kounavis, P.; Mataras, D.; Spiliopoulos, N.; Mytilineou, E.; Rapakoulias, D.

1994-02-01

The variation of a-Si:H film quality, deposited by a rf glow discharge of pure silane, is examined as a function of the interelectrode distance for two different pressures. Constant photocurrent and modulated photocurrent methods are used to estimate the magnitude and the shape of the defect states in the valence band and the conduction band, respectively. An effort is made to correlate the film quality parameters and the defect formation with the plasma macroscopic and microscopic parameters. The results suggest that, at low interelectrode distances, high sticking coefficient radicals modify the film growth and the defect formation mechanisms, leading to the deterioration of the film quality. The conclusions drawn are compared with the predictions of recent theoretical models concerning the defect formation in a-Si:H.
Zeta Pegasi: An SPB Variable Star

NASA Technical Reports Server (NTRS)

Goebel, John H.

2007-01-01

Broadband photometric observations of the bright star Zeta Pegasi are presented that display brightness variability of 488.2 +/- 6.6 micromag (ppm) range with a period of 22.952 +/- 0.804 hr (f approx. equals 1.04566 c/d). The variation is monosinusoidal, so the star is recommended for membership in the class of small-amplitude Slowly Pulsating B-Stars (SPB) variables oscillating in a non-radial g-mode.
Einstein observations of three classical Cepheids

NASA Technical Reports Server (NTRS)

Bohm-Vitense, E.; Parsons, S. B.

1983-01-01

We have looked for X-ray emission from the classical Cepheids delta Cep, beta Dor, and zeta Gem during phases when the latter two stars show emission in low excitation chromospheric lines. No X-ray flux was detected except possibly from zeta Gem at phase 0.26. Derived upper limits are in line with emission flux or upper limits obtained for other F and G supergiants.
Sleep-related attentional bias in poor versus good sleepers is independent of affective valence.

PubMed

Barclay, Nicola L; Ellis, Jason G

2013-08-01

Contradictory evidence exists relating to the presence of an attention bias to sleep-related stimuli in poor sleepers/insomnia using the emotional Stroop task (EST). These inconsistencies may be due to methodological issues related to the affective valence of the sleep-related stimuli. Thus, individuals may attend differentially to sleep-related stimuli not because of their 'sleep' properties, but their negativity. The current study addresses this by controlling the affective valence of sleep-related words. A total of 107 participants [mean age = 33.22 years, standard deviation (SD) = 12.31 years; 61.7% female] were recruited during an evening event at the Newcastle Science Festival. Participants completed the Pittsburgh Sleep Quality Index (PSQI) and a computerized EST containing 20 non-affective sleep-related, 20 neutral and 20 negatively valenced threat words. Good and poor sleepers were categorized using the PSQI. There were no significant differences between groups on response latency to sleep-related words (t(105) = -0.30, P = 0.76). However, the interaction between good versus poor sleepers and word-type on response latency was significant (F(2,210) = 3.06, P < 0.05). Poor sleepers took longer to respond to sleep-related words (mean = 723.35, SD = 172.55) compared to threat words (mean = 694.63, SD = 162.17) than good sleepers (mean = 713.20, SD = 166.32; and mean = 716.65, SD = 181.14). The results demonstrate the presence of an attention bias towards sleep-related stimuli compared to threat stimuli in poor sleepers. Accordingly, poor sleepers may be consumed by stimuli relevant to their specific difficulties, as well as being more highly attuned to negative cues that signal anxious states. Thus, the present research suggests that there are two opposing forces at play: one which facilitates performance (non-specific threats) and one which hinders performance (personally relevant threats). © 2013 European Sleep Research Society.
14-3-3 zeta is a molecular target in guggulsterone induced apoptosis in head and neck cancer cells.

PubMed

Macha, Muzafar A; Matta, Ajay; Chauhan, Ss; Siu, Kw Michael; Ralhan, Ranju

2010-11-30

The five-year survival rates for head and neck squamous cell carcinoma (HNSCC) patients are less than 50%, and the prognosis has not improved, despite advancements in standard multi-modality therapies. Hence major emphasis is being laid on identification of novel molecular targets and development of multi-targeted therapies. 14-3-3 zeta, a multifunctional phospho-serine/phospho-threonine binding protein, is emerging as an effector of pro-survival signaling by binding to several proteins involved in apoptosis (Bad, FKHRL1 and ASK1) and may serve as an appropriate target for head and neck cancer therapy. Herein, we determined effect of guggulsterone (GS), a farnesoid X receptor antagonist, on 14-3-3 zeta associated molecular pathways for abrogation of apoptosis in head and neck cancer cells. Head and neck cancer cells were treated with guggulsterone (GS). Effect of GS-treatment was evaluated using cell viability (MTT) assay and apoptosis was verified by annexin V, DNA fragmentation and M30 CytoDeath antibody assay. Mechanism of GS-induced apoptosis was determined by western blotting and co-IP assays using specific antibodies. Using in vitro models of head and neck cancer, we showed 14-3-3 zeta as a key player regulating apoptosis in GS treated SCC4 cells. Treatment with GS releases BAD from the inhibitory action of 14-3-3 zeta in proliferating HNSCC cells by activating protein phosphatase 2A (PP2A). These events initiate the intrinsic mitochondrial pathway of apoptosis, as revealed by increased levels of cytochrome c in cytoplasmic extracts of GS-treated SCC4 cells. In addition, GS treatment significantly reduced the expression of anti-apoptotic proteins, Bcl-2, xIAP, Mcl1, survivin, cyclin D1 and c-myc, thus committing cells to apoptosis. These events were followed by activation of caspase 9, caspase 8 and caspase 3 leading to cleavage of its downstream target, poly-ADP-ribose phosphate (PARP). GS targets 14-3-3 zeta associated cellular pathways for reducing proliferation and inducing apoptosis in head and neck cancer cells, warranting its investigation for use in treatment of head and neck cancer.
Startle modulation and explicit valence evaluations dissociate during backward fear conditioning.

PubMed

Luck, Camilla C; Lipp, Ottmar V

2017-05-01

Blink startle magnitude is linearly modulated by affect such that, relative to neutral stimuli, startle magnitude is inhibited during pleasant stimuli and potentiated during unpleasant stimuli. Andreatta, Mühlberger, Yarali, Gerber, and Pauli (2010), however, report a dissociation between startle modulation and explicit valence evaluations during backward conditioning, a procedure in which the unconditional stimulus precedes the conditional stimulus (CS). Relative to controls, startles elicited during the CS were inhibited, suggesting that the CS had acquired positive valence, but participants still evaluated the CS as unpleasant after the experiment. In Experiment 1, we aimed to replicate this dissociation using a trial-by-trial measure of CS valence to measure startle modulation and CS valence simultaneously during forward and backward differential fear conditioning. In Experiment 2, we examined whether early and late portions of the CS could acquire differential valence by presenting startle probes at early and late probe positions during the CS. In both experiments, the dissociation between startle modulation and explicit valence evaluations in backward conditioning replicated, with CS+ evaluated as less pleasant than CS-, but startles elicited during CS+ inhibited relative to CS-. In Experiment 2, we provide preliminary evidence that this inhibition was present early, but not late, during the CS+. The results replicate the dissociation between implicit and explicit CS valence reported by Andreatta et al. (2010) using a trial-by-trial measure of valence. We also provide preliminary evidence that this dissociation may occur because the implicit and explicit measures are recorded at different times during the CS presentation. © 2017 Society for Psychophysiological Research.
Dissociable Modulation of Overt Visual Attention in Valence and Arousal Revealed by Topology of Scan Path

PubMed Central

Ni, Jianguang; Jiang, Huihui; Jin, Yixiang; Chen, Nanhui; Wang, Jianhong; Wang, Zhengbo; Luo, Yuejia; Ma, Yuanye; Hu, Xintian

2011-01-01

Emotional stimuli have evolutionary significance for the survival of organisms; therefore, they are attention-grabbing and are processed preferentially. The neural underpinnings of two principle emotional dimensions in affective space, valence (degree of pleasantness) and arousal (intensity of evoked emotion), have been shown to be dissociable in the olfactory, gustatory and memory systems. However, the separable roles of valence and arousal in scene perception are poorly understood. In this study, we asked how these two emotional dimensions modulate overt visual attention. Twenty-two healthy volunteers freely viewed images from the International Affective Picture System (IAPS) that were graded for affective levels of valence and arousal (high, medium, and low). Subjects' heads were immobilized and eye movements were recorded by camera to track overt shifts of visual attention. Algebraic graph-based approaches were introduced to model scan paths as weighted undirected path graphs, generating global topology metrics that characterize the algebraic connectivity of scan paths. Our data suggest that human subjects show different scanning patterns to stimuli with different affective ratings. Valence salient stimuli (with neutral arousal) elicited faster and larger shifts of attention, while arousal salient stimuli (with neutral valence) elicited local scanning, dense attention allocation and deep processing. Furthermore, our model revealed that the modulatory effect of valence was linearly related to the valence level, whereas the relation between the modulatory effect and the level of arousal was nonlinear. Hence, visual attention seems to be modulated by mechanisms that are separate for valence and arousal. PMID:21494331
Processing Research on Chemically Vapor Deposited Silicon Nitride

DTIC Science & Technology

1981-12-01

forming silicon carbide to reduce free silicon content. (b) Boron and aluminum were selected as two single-valence elements with small atomic radii which...obtained in cold wall (CW-3) runs were sliced into small flexure bars (19.1x3.2xt(mm) where t = thickness) if they appeared to be of suitable quality...discussed later. Addition of borcn trichloride in small amounts (Run 8) caused Formation of a light blue translucent deposit which contained at least one
Nature of the magnetic ground state in the mixed valence compound CeRuSn: a single-crystal study.

PubMed

Fikáček, J; Prokleška, J; Prchal, J; Custers, J; Sechovský, V

2013-10-16

We report on detailed low-temperature measurements of the magnetization, the specific heat and the electrical resistivity on high-quality CeRuSn single crystals. The compound orders antiferromagnetically at T(N) = 2.8 K with the Ce(3+) ions locked within the a-c plane of the monoclinic structure. Magnetization shows that below T(N) CeRuSn undergoes a metamagnetic transition when applying a magnetic field of 1.5 and 0.8 T along the a- and c-axis, respectively. This transition manifests in a tremendous negative jump of ~25% in the magnetoresistance. The value of the saturated magnetization along the easy magnetization direction (c-axis) and the magnetic entropy above T(N) derived from specific heat data correspond to the scenario of only one third of the Ce ions in the compound being trivalent and carrying a stable Ce(3+) magnetic moment, whereas the other two thirds of the Ce ions are in a nonmagnetic tetravalent and/or mixed valence state. This is consistent with the low-temperature CeRuSn crystal structure i.e., a superstructure consisting of three unit cells of the CeCoAl type piled up along the c-axis, and in which the Ce(3+) ions are characterized by large distances from the Ru ligands while the Ce-Ru distances of the other Ce ions are much shorter causing a strong 4f-ligand hybridization and hence leading to tetravalent and/or mixed valence Ce ions.
Modeling Semantic Emotion Space Using a 3D Hypercube-Projection: An Innovative Analytical Approach for the Psychology of Emotions

PubMed Central

Trnka, Radek; Lačev, Alek; Balcar, Karel; Kuška, Martin; Tavel, Peter

2016-01-01

The widely accepted two-dimensional circumplex model of emotions posits that most instances of human emotional experience can be understood within the two general dimensions of valence and activation. Currently, this model is facing some criticism, because complex emotions in particular are hard to define within only these two general dimensions. The present theory-driven study introduces an innovative analytical approach working in a way other than the conventional, two-dimensional paradigm. The main goal was to map and project semantic emotion space in terms of mutual positions of various emotion prototypical categories. Participants (N = 187; 54.5% females) judged 16 discrete emotions in terms of valence, intensity, controllability and utility. The results revealed that these four dimensional input measures were uncorrelated. This implies that valence, intensity, controllability and utility represented clearly different qualities of discrete emotions in the judgments of the participants. Based on this data, we constructed a 3D hypercube-projection and compared it with various two-dimensional projections. This contrasting enabled us to detect several sources of bias when working with the traditional, two-dimensional analytical approach. Contrasting two-dimensional and three-dimensional projections revealed that the 2D models provided biased insights about how emotions are conceptually related to one another along multiple dimensions. The results of the present study point out the reductionist nature of the two-dimensional paradigm in the psychological theory of emotions and challenge the widely accepted circumplex model. PMID:27148130
Studying red blood cell agglutination by measuring electrical and mechanical properties with a double optical tweezers

NASA Astrophysics Data System (ADS)

Fontes, Adriana; Fernandes, Heloise P.; de Thomaz, André A.; Barbosa, Luiz C.; Barjas-Castro, Maria L.; Cesar, Carlos L.

2007-07-01

The red blood cell (RBC) viscoelastic membrane contains proteins and glycolproteins embedded in, or attached, to a fluid lipid bilayer and are negatively charged, which creates a repulsive electric (zeta) potential between the cells and prevents their aggregation in the blood stream. The basis of the immunohematologic tests is the interaction between antigens and antibodies that causes hemagglutination. The identification of antibodies and antigens is of fundamental importance for the transfusional routine. This agglutination is induced by decreasing the zeta-potential through the introduction of artificial potential substances. This report proposes the use of the optical tweezers to measure the membrane viscosity, the cell adhesion, the zeta-potential and the size of the double layer of charges (CLC) formed around the cell in an electrolytic solution. The adhesion was quantified by slowly displacing two RBCs apart until the disagglutination. The CLC was measured using the force on the bead attached to a single RBC in response to an applied voltage. The zeta-potential was obtained by measuring the terminal velocity after releasing the RBC from the optical trap at the last applied voltage. For the membrane viscosity experiment, we trapped a bead attached to RBCs and measured the force to slide one RBC over the other as a function of the relative velocity. After we tested the methodology, we performed measurements using antibody and potential substances. We observed that this experiment can provide information about cell agglutination that helps to improve the tests usually performed in blood banks. We also believe that this methodology can be applied for measurements of zeta-potentials in other kind of samples.
Antimicrobial particles from cationic lipid and polyelectrolytes.

PubMed

Melo, Letícia D; Mamizuka, Elsa M; Carmona-Ribeiro, Ana M

2010-07-20

Hybrid nanoparticles from cationic lipid and polymers were prepared and characterized regarding physical properties and antimicrobial activity. Carboxymethylcellulose (CMC) and polydiallyldimethylammonium chloride (PDDA) were sequentially added to cationic bilayer fragments (BF) prepared from ultrasonic dispersion in water of the synthetic and cationic lipid dioctadecyldimethylammonium bromide (DODAB). Particles thus obtained were characterized by dynamic light-scattering for determination of z-average diameter (Dz) and zeta-potential (zeta). Antimicrobial activity of the DODAB BF/CMC/PDDA particles against Pseudomonas aeruginosa or Staphylococcus aureus was determined by plating and CFU counting over a range of particle compositions. DODAB BF/CMC/PDDA particles exhibited sizes and zeta-potentials strictly dependent on DODAB, CMC, and PDDA concentrations. At 0.1 mM DODAB, 0.1 mg/mL CMC, and 0.1 mg/mL PDDA, small cationic particles with Dz = 100 nm and zeta = 30 mV were obtained. At 0.5 mM DODAB, 0.5 mg/mL CMC and 0.5 mg/mL PDDA, large cationic particles with Dz = 470 nm and zeta = 50 mV were obtained. Both particulates were highly reproducible regarding physical properties and yielded 0% of P. aeruginosa viability (10(7) CFU/mL) at 1 or 2 microg/mL PDDA dissolved in solution or in form of particles, respectively. 99% of S. aureus cells died at 10 microg/mL PDDA alone or in small or large DODAB BF/CMC/PDDA particles. The antimicrobial effect was dependent on the amount of positive charge on particles and independent of particle size. A high microbicide potency for PDDA over a range of nanomolar concentrations was disclosed. P. aeruginosa was more sensitive to all cationic assemblies than S. aureus.
Bio-field array: a dielectrophoretic electromagnetic toroidal excitation to restore and maintain the golden ratio in human erythrocytes.

PubMed

Purnell, Marcy C; Butawan, Matthew B A; Ramsey, Risa D

2018-06-01

Erythrocytes must maintain a biconcave discoid shape in order to efficiently deliver oxygen (O 2 ) molecules and to recycle carbon dioxide (CO 2 ) molecules. The erythrocyte is a small toroidal dielectrophoretic (DEP) electromagnetic field (EMF) driven cell that maintains its zeta potential (ζ) with a dielectric constant (ԑ) between a negatively charged plasma membrane surface and the positively charged adjacent Stern layer. Here, we propose that zeta potential is also driven by both ferroelectric influences (chloride ion) and ferromagnetic influences (serum iron driven). The Golden Ratio, a function of Phi φ, offers a geometrical mathematical measure within the distinct and desired curvature of the red blood cell that is governed by this zeta potential and is required for the efficient recycling of CO 2 in our bodies. The Bio-Field Array (BFA) shows potential to both drive/fuel the zeta potential and restore the Golden Ratio in human erythrocytes thereby leading to more efficient recycling of CO 2 . Live Blood Analyses and serum CO 2 levels from twenty human subjects that participated in immersion therapy sessions with the BFA for 2 weeks (six sessions) were analyzed. Live Blood Analyses (LBA) and serum blood analyses performed before and after the BFA immersion therapy sessions in the BFA pilot study participants showed reversal of erythrocyte rheological alterations (per RBC metric; P = 0.00000075), a morphological return to the Golden Ratio and a significant decrease in serum CO 2 (P = 0.017) in these participants. Immersion therapy sessions with the BFA show potential to modulate zeta potential, restore this newly defined Golden Ratio and reduce rheological alterations in human erythrocytes. © 2018 The Authors. Physiological Reports published by Wiley Periodicals, Inc. on behalf of The Physiological Society and the American Physiological Society.

Development of a precise controller for an electrohydraulic total artificial heart. Improvement of the motor's dynamic response.

PubMed

Ahn, J M; Masuzawa, T; Taenaka, Y; Tatsumi, E; Ohno, T; Choi, W W; Toda, K; Miyazaki, K; Baba, Y; Nakatani, T; Takano, H; Min, B G

1996-01-01

In an electrohydraulic total artificial heart developed at the National Cardiovascular Center (Osaka, Japan), two blood pumps are pushed alternatively by means of the bidirectional motion of a brushless DC motor for pump systole and diastole. Improvement in the dynamic response of the motor is very important to obtain better pump performance; this was accomplished by using power electronic simulation. For the motor to have the desired dynamic response, it must be commutated properly and the damping ratio (zeta), which represents transient characteristics of the motor, must lie between 0.4 and 0.8. Consequently, all satisfactory specifications with respect to power consumption must be obtained. Based on the simulated results, the design criteria were determined and the precise controller designed to reduce torque ripple and motor vibration, and determine motor stop time at every direction change. In in vitro tests, evaluation of the controller and dynamic response of the motor was justified in terms of zeta, power consumption, and motor stop time. The results indicated that the power consumption of the controller and the input power of the motor were decreased by 1.2 and 2.5 W at zeta = 0.6, respectively, compared to the previous system. An acceptable dynamic response of the motor, necessary for the reduction of torque ripple and motor vibration, was obtained between zeta = 0.5 and zeta = 0.7, with an increase in system efficiency from 10% to 12%. The motor stop time required for stable motor reoperation was determined to be over 10 msec, for a savings in power consumption of approximately 1.5 W. Therefore, the improved dynamic response of the motor can contribute to the stability and reliability of the pump.
Impact of water chemistry on surface charge and aggregation of polystyrene microspheres suspensions.

PubMed

Lu, Songhua; Zhu, Kairuo; Song, Wencheng; Song, Gang; Chen, Diyun; Hayat, Tasawar; Alharbi, Njud S; Chen, Changlun; Sun, Yubing

2018-07-15

The discharge of microplastics into aquatic environment poses the potential threat to the hydrocoles and human health. The fate and transport of microplastics in aqueous solutions are significantly influenced by water chemistry. In this study, the effect of water chemistry (i.e., pH, foreign salts and humic acid) on the surface charge and aggregation of polystyrene microsphere in aqueous solutions was conducted by batch, zeta potentials, hydrodynamic diameters, FT-IR and XPS analysis. Compared to Na + and K + , the lower negative zeta potentials and larger hydrodynamic diameters of polystyrene microspheres after introduction of Mg 2+ were observed within a wide range of pH (2.0-11.0) and ionic strength (IS, 0.01-500mmol/L). No effect of Cl - , HCO 3 - and SO 4 2- on the zeta potentials and hydrodynamic diameters of polystyrene microspheres was observed at low IS concentrations (<5mmol/L), whereas the zeta potentials and hydrodynamic diameters of polystyrene microspheres after addition of SO 4 2- were higher than that of Cl - and HCO 3 - at high IS concentrations (>10mmol/L). The zeta potentials of polystyrene microspheres after HA addition were decreased at pH2.0-11.0, whereas the lower hydrodynamic diameters were observed at pH<4.0. According to FT-IR and XPS analysis, the change in surface properties of polystyrene microspheres after addition of hydrated Mg 2+ and HA was attributed to surface electrostatic and/or steric repulsions. These investigations are crucial for understanding the effect of water chemistry on colloidal stability of microplastics in aquatic environment. Copyright © 2018 Elsevier B.V. All rights reserved.
On the correlations between the polyhedron eccentricity parameters and the bond-valence sums for the cations with one lone electron pair.

PubMed

Sidey, Vasyl

2008-08-01

Applicability of the Wang-Liebau polyhedron eccentricity parameter in the bond-valence model [Wang & Liebau (2007). Acta Cryst. B63, 216-228] has been found to be doubtful: the correlations between the values of the polyhedron eccentricity parameters and the bond-valence sums calculated for the cations with one lone electron pair are probably an artifact of the poorly determined bond-valence parameters.
Valence and magnitude ambiguity in feedback processing.

PubMed

Gu, Ruolei; Feng, Xue; Broster, Lucas S; Yuan, Lu; Xu, Pengfei; Luo, Yue-Jia

2017-05-01

Outcome feedback which indicates behavioral consequences are crucial for reinforcement learning and environmental adaptation. Nevertheless, outcome information in daily life is often totally or partially ambiguous. Studying how people interpret this kind of information would provide important knowledge about the human evaluative system. This study concentrates on the neural processing of partially ambiguous feedback, that is, either its valence or magnitude is unknown to participants. To address this topic, we sequentially presented valence and magnitude information; electroencephalography (EEG) response to each kind of presentation was recorded and analyzed. The event-related potential components feedback-related negativity (FRN) and P3 were used as indices of neural activity. Consistent with previous literature, the FRN elicited by ambiguous valence was not significantly different from that elicited by negative valence. On the other hand, the FRN elicited by ambiguous magnitude was larger than both the large and small magnitude, indicating the motivation to seek unambiguous magnitude information. The P3 elicited by ambiguous valence and ambiguous magnitude was not significantly different from that elicited by negative valence and small magnitude, respectively, indicating the emotional significance of feedback ambiguity. Finally, the aforementioned effects also manifested in the stage of information integration. These findings indicate both similarities and discrepancies between the processing of valence ambiguity and that of magnitude ambiguity, which may help understand the mechanisms of ambiguous information processing.
Thickness dependence of La0.7Sr0.3MnO3/PbZr0.2Ti0.8O3 magnetoelectric interfaces

NASA Astrophysics Data System (ADS)

Zhou, Jinling; Tra, Vu Thanh; Dong, Shuai; Trappen, Robbyn; Marcus, Matthew A.; Jenkins, Catherine; Frye, Charles; Wolfe, Evan; White, Ryan; Polisetty, Srinivas; Lin, Jiunn-Yuan; LeBeau, James M.; Chu, Ying-Hao; Holcomb, Mikel Barry

2015-10-01

Magnetoelectric materials have great potential to revolutionize electronic devices due to the coupling of their electric and magnetic properties. Thickness varying La0.7Sr0.3MnO3 (LSMO)/PbZr0.2Ti0.8O3 (PZT) heterostructures were built and measured in this article by valence sensitive x-ray absorption spectroscopy. The sizing effects of the heterostructures on the LSMO/PZT magnetoelectric interfaces were investigated through the behavior of Mn valence, a property associated with the LSMO magnetization. We found that Mn valence increases with both LSMO and PZT thickness. Piezoresponse force microscopy revealed a transition from monodomain to polydomain structure along the PZT thickness gradient. The ferroelectric surface charge may change with domain structure and its effects on Mn valence were simulated using a two-orbital double-exchange model. The screening of ferroelectric surface charge increases the electron charges in the interface region, and greatly changes the interfacial Mn valence, which likely plays a leading role in the interfacial magnetoelectric coupling. The LSMO thickness dependence was examined through the combination of two detection modes with drastically different attenuation depths. The different length scales of these techniques' sensitivity to the atomic valence were used to estimate the depth dependence Mn valence. A smaller interfacial Mn valence than the bulk was found by globally fitting the experimental results.
Self-construal, affective valence of the encounter, and quality of social interactions: Within and cross-culture examination.

PubMed

Kafetsios, Konstantinos; Hess, Ursula; Nezlek, John B

2018-01-01

In two samples, one from Greece and another from Germany, we examined relationships between self-construal, emotional experience, and the quality of social interactions. In Greece, a more collectivistic culture, the negative affect people experienced in social interactions was more weakly related to the quality of social interactions for those higher in interdependent self-construal than it was for those lower in interdependent self-construal. In Germany, a more independent culture, a contrasting pattern was observed such that the positive affect people experienced in social interaction was more strongly related to the quality of social interactions for those higher in independent self-construal than it was for those lower in independent self-construal. These findings suggest that positive and negative affect in social encounters can have different effects for persons with independent and interdependent cultural orientations within different cultural settings.
In vitro characterisation of a sol-gel derived in situ silica-coated silicate and carbonate co-doped hydroxyapatite nanopowder for bone grafting.

PubMed

Latifi, Seyed Mohsen; Fathi, Mohammadhossein; Sharifnabi, Ali; Varshosaz, Jaleh

2017-06-01

Design and synthesis of materials with better properties and performance are essential requirements in the field of biomaterials science that would directly improve patient quality of life. For this purpose, in situ silica-coated silicate and carbonate co-doped hydroxyapatite (Sc/S.C.HA) nanopowder was synthesized via the sol-gel method. Characterisation of the prepared nanopowder was carried out by XRD, FTIR, TEM, SEM, EDX, ICP, zeta potential, acid dissolution test, and cell culture test. The substitution of the silicate and carbonate ions into hydroxyapatite structure was confirmed by FTIR analysis. XRD analysis showed that silica is an amorphous phase, which played a role in covering the surface of the S.C.HA nanoparticles as confirmed by acid dissolution test. Low thickness and low integrity of the amorphous silica surface layer facilitated ions release from S.C.HA nanoparticles into physiological saline solution. Zeta potential of the prepared nanopowder suspended in physiological saline solution was -27.3±0.2mV at pH7.4. This negatively charged surface, due to the presence of amorphous silica layer upon the S.C.HA nanoparticles, not only had an accelerating effect on in vitro biomineralization of apatite, but also had a positive effect on cell attachment. Copyright © 2017 Elsevier B.V. All rights reserved.
Concentration of poliovirus from tap water using positively charged microporous filters.

PubMed Central

Sobsey, M D; Jones, B L

1979-01-01

Microporous filters that are more electropositive than the negatively charged filters currently used for virus concentrations from water by filter adsorption-elution methods were evaluated for poliovirus recovery from tap water. Zeta Plus filters composed of diatomaceous earth-cellulose-"charge-modified" resin mixtures and having a net positive charge of up to pH 5 to 6 efficiently adsorbed poliovirus from tap water at ambient pH levels 7.0 to 7.5 without added multivalent cation salts. The adsorbed virus were eluted with glycine-NaOH, pH 9.5 to 11.5. Electropositive asbestos-cellulose filters efficiently adsorbed poliovirus from tap water without added multivalent cation salts between pH 3.5 and 9.0, and the absorbed viruses could be eluted with 3% beef extract, pH 9, but not with pH 9.5 to 11.5 glycine-NaOH. Under water quality conditions in which poliovirus recoveries from large volumes of water were less than 5% with conventional negatively charged filters and standard methods, recoveries with Zeta Plus filters averaged 64 and 22.5% for one- and two-stage concentration procedures, respectively. Electropositive filters appear to offer distinct advantages over conventional negatively charged filters for concentrating enteric viruses from water, and their behavior tends to confirm the importance of electrostatic forces in virus recovery from water by microporous filter adsorption-elution methods. PMID:36844
Structure of physical crystalline membranes within the self-consistent screening approximation.

PubMed

Gazit, Doron

2009-10-01

The anomalous exponents governing the long-wavelength behavior of the flat phase of physical crystalline membranes are calculated within a self-consistent screening approximation (SCSA) applied to second order expansion in 1/dC ( dC is the codimension), extending the seminal work of Le Doussal and Radzihovsky [Phys. Rev. Lett. 69, 1209 (1992)]. In particular, the bending rigidity is found to harden algebraically in the long-wavelength limit with an exponent eta=0.789... , which is used to extract the elasticity softening exponent eta(u)=0.422... , and the roughness exponent zeta=0.605... . The scaling relation eta(u)=2-2eta is proven to hold to all orders in SCSA. Further, applying the SCSA to an expansion in 1/dC , is found to be essential, as no solution to the self-consistent equations is found in a two-bubble level, which is the naive second-order expansion. Surprisingly, even though the expansion parameter for physical membrane is 1/dC=1 , the SCSA applied to second-order expansion deviates only slightly from the first order, increasing zeta by mere 0.016. This supports the high quality of the SCSA for physical crystalline membranes, as well as improves the comparison to experiments and numerical simulations of these systems. The prediction of SCSA applied to first order expansion for the Poisson ratio is shown to be exact to all orders.
Composite vibrational spectroscopy of the group 12 difluorides: ZnF2, CdF2, and HgF2.

PubMed

Solomonik, Victor G; Smirnov, Alexander N; Navarkin, Ilya S

2016-04-14

The vibrational spectra of group 12 difluorides, MF2 (M = Zn, Cd, Hg), were investigated via coupled cluster singles, doubles, and perturbative triples, CCSD(T), including core correlation, with a series of correlation consistent basis sets ranging in size from triple-zeta through quintuple-zeta quality, which were then extrapolated to the complete basis set (CBS) limit using a variety of extrapolation procedures. The explicitly correlated coupled cluster method, CCSD(T)-F12b, was employed as well. Although exhibiting quite different convergence behavior, the F12b method yielded the CBS limit estimates closely matching more computationally expensive conventional CBS extrapolations. The convergence with respect to basis set size was examined for the contributions entering into composite vibrational spectroscopy, including those from higher-order correlation accounted for through the CCSDT(Q) level of theory, second-order spin-orbit coupling effects assessed within four-component and two-component relativistic formalisms, and vibrational anharmonicity evaluated via a perturbative treatment. Overall, the composite results are in excellent agreement with available experimental values, except for the CdF2 bond-stretching frequencies compared to spectral assignments proposed in a matrix isolation infrared and Raman study of cadmium difluoride vapor species [Loewenschuss et al., J. Chem. Phys. 50, 2502 (1969); Givan and Loewenschuss, J. Chem. Phys. 72, 3809 (1980)]. These assignments are called into question in the light of the composite results.
Composite vibrational spectroscopy of the group 12 difluorides: ZnF2, CdF2, and HgF2

NASA Astrophysics Data System (ADS)

Solomonik, Victor G.; Smirnov, Alexander N.; Navarkin, Ilya S.

2016-04-01

The vibrational spectra of group 12 difluorides, MF2 (M = Zn, Cd, Hg), were investigated via coupled cluster singles, doubles, and perturbative triples, CCSD(T), including core correlation, with a series of correlation consistent basis sets ranging in size from triple-zeta through quintuple-zeta quality, which were then extrapolated to the complete basis set (CBS) limit using a variety of extrapolation procedures. The explicitly correlated coupled cluster method, CCSD(T)-F12b, was employed as well. Although exhibiting quite different convergence behavior, the F12b method yielded the CBS limit estimates closely matching more computationally expensive conventional CBS extrapolations. The convergence with respect to basis set size was examined for the contributions entering into composite vibrational spectroscopy, including those from higher-order correlation accounted for through the CCSDT(Q) level of theory, second-order spin-orbit coupling effects assessed within four-component and two-component relativistic formalisms, and vibrational anharmonicity evaluated via a perturbative treatment. Overall, the composite results are in excellent agreement with available experimental values, except for the CdF2 bond-stretching frequencies compared to spectral assignments proposed in a matrix isolation infrared and Raman study of cadmium difluoride vapor species [Loewenschuss et al., J. Chem. Phys. 50, 2502 (1969); Givan and Loewenschuss, J. Chem. Phys. 72, 3809 (1980)]. These assignments are called into question in the light of the composite results.
Mixed micelles loaded with silybin-polyene phosphatidylcholine complex improve drug solubility

PubMed Central

Duan, Rui-ling; Sun, Xun; Liu, Jie; Gong, Tao; Zhang, Zhi-rong

2011-01-01

Aim: To prepare a novel formulation of phosphatidylcholine (PC)-bile salts (BS)-mixed micelles (MMs) loaded with silybin (SLB)-PC complex for parenteral applications. Methods: SLB-PC-BS-MMs were prepared using the co-precipitation method. Differential scanning calorimetry (DSC) analysis was used to confirm the formation of the complex and several parameters were optimized to obtain a high quality formulation. The water-solubility, drug loading, particle size, zeta potential, morphology and in vivo properties of the SLB-PC-BS-MMs were determined. Results: The solubility of SLB in water was increased from 40.83±1.18 μg/mL to 10.14±0.36 mg/mL with a high drug loading (DL) of 14.43%±0.44% under optimized conditions. The SLB-PC-BS-MMs were observed by transmission electron microscopy (TEM) and scanning electron microscopy (SEM) and showed spherical shapes. The particle size and zeta potential, as measured by photon correlation spectroscopy (PCS), were about 30±4.8 nm and −39±5.0 mV, respectively. In vivo studies showed that incorporation of the SLB-PC complex into PC-BS-MMs led to a prolonged circulation time of the drug. Conclusion: This novel formulation appears to be a good candidate for drug substances that exhibit poor solubility for parenteral administration. PMID:21170082
Approach and Withdrawal Tendencies during Written Word Processing: Effects of Task, Emotional Valence, and Emotional Arousal

PubMed Central

Citron, Francesca M. M.; Abugaber, David; Herbert, Cornelia

2016-01-01

The affective dimensions of emotional valence and emotional arousal affect processing of verbal and pictorial stimuli. Traditional emotional theories assume a linear relationship between these dimensions, with valence determining the direction of a behavior (approach vs. withdrawal) and arousal its intensity or strength. In contrast, according to the valence-arousal conflict theory, both dimensions are interactively related: positive valence and low arousal (PL) are associated with an implicit tendency to approach a stimulus, whereas negative valence and high arousal (NH) are associated with withdrawal. Hence, positive, high-arousal (PH) and negative, low-arousal (NL) stimuli elicit conflicting action tendencies. By extending previous research that used several tasks and methods, the present study investigated whether and how emotional valence and arousal affect subjective approach vs. withdrawal tendencies toward emotional words during two novel tasks. In Study 1, participants had to decide whether they would approach or withdraw from concepts expressed by written words. In Studies 2 and 3 participants had to respond to each word by pressing one of two keys labeled with an arrow pointing upward or downward. Across experiments, positive and negative words, high or low in arousal, were presented. In Study 1 (explicit task), in line with the valence-arousal conflict theory, PH and NL words were responded to more slowly than PL and NH words. In addition, participants decided to approach positive words more often than negative words. In Studies 2 and 3, participants responded faster to positive than negative words, irrespective of their level of arousal. Furthermore, positive words were significantly more often associated with “up” responses than negative words, thus supporting the existence of implicit associations between stimulus valence and response coding (positive is up and negative is down). Hence, in contexts in which participants' spontaneous responses are based on implicit associations between stimulus valence and response, there is no influence of arousal. In line with the valence-arousal conflict theory, arousal seems to affect participants' approach-withdrawal tendencies only when such tendencies are made explicit by the task, and a minimal degree of processing depth is required. PMID:26779067
Approach and Withdrawal Tendencies during Written Word Processing: Effects of Task, Emotional Valence, and Emotional Arousal.

PubMed

Citron, Francesca M M; Abugaber, David; Herbert, Cornelia

2015-01-01

The affective dimensions of emotional valence and emotional arousal affect processing of verbal and pictorial stimuli. Traditional emotional theories assume a linear relationship between these dimensions, with valence determining the direction of a behavior (approach vs. withdrawal) and arousal its intensity or strength. In contrast, according to the valence-arousal conflict theory, both dimensions are interactively related: positive valence and low arousal (PL) are associated with an implicit tendency to approach a stimulus, whereas negative valence and high arousal (NH) are associated with withdrawal. Hence, positive, high-arousal (PH) and negative, low-arousal (NL) stimuli elicit conflicting action tendencies. By extending previous research that used several tasks and methods, the present study investigated whether and how emotional valence and arousal affect subjective approach vs. withdrawal tendencies toward emotional words during two novel tasks. In Study 1, participants had to decide whether they would approach or withdraw from concepts expressed by written words. In Studies 2 and 3 participants had to respond to each word by pressing one of two keys labeled with an arrow pointing upward or downward. Across experiments, positive and negative words, high or low in arousal, were presented. In Study 1 (explicit task), in line with the valence-arousal conflict theory, PH and NL words were responded to more slowly than PL and NH words. In addition, participants decided to approach positive words more often than negative words. In Studies 2 and 3, participants responded faster to positive than negative words, irrespective of their level of arousal. Furthermore, positive words were significantly more often associated with "up" responses than negative words, thus supporting the existence of implicit associations between stimulus valence and response coding (positive is up and negative is down). Hence, in contexts in which participants' spontaneous responses are based on implicit associations between stimulus valence and response, there is no influence of arousal. In line with the valence-arousal conflict theory, arousal seems to affect participants' approach-withdrawal tendencies only when such tendencies are made explicit by the task, and a minimal degree of processing depth is required.
Dissociable Effects of Valence and Arousal on Different Subtypes of Old/New Effect: Evidence from Event-Related Potentials

PubMed Central

Xu, Huifang; Zhang, Qin; Li, Bingbing; Guo, Chunyan

2015-01-01

Here, we utilized the study-test paradigm combined with recognition confidence assessment and behavioral and event-related potential (ERP) measurements to investigate the effects of valence and arousal on the different subtypes of the old-new effect. We also test the effect of valence and arousal at encoding stage to investigate the underlying mechanism of the effect of the two emotional dimension on different retrieval process. In order to test the effects of valence and arousal on old/new effect precisely, we used the “subject-oriented orthogonal design” which manipulated valence and arousal independently according to subjects’ verbal reporting to investigate the effects of valence and arousal on old/new effect respectively. Three subtypes of old/new effect were obtained in the test phase, which were FN400, LPC, and late positivity over right frontal. They are supposed to be associated with familiarity, recollection, and post-retrieval processes respectively according to previous studies. For the FN400 component, valence affected mid-frontal negativity from 350–500 ms. Pleasant items evoked an enhanced ERP old/new effect relative to unpleasant items. However, arousal only affected LPC amplitude from 500–800 ms. The old/new effect for high-arousal items was greater than for low-arousal items. Valence also affected the amplitude of a positive-going slow wave at right frontal sites from 800–1000 ms, possibly serving as an index of post-retrieval processing. At encoding stage, the valence and arousal also have dissociable effect on the frontal slow wave between 350–800 ms and the centro-parietal positivity in 500–800 ms. The pleasant items evoked a more positive frontal slow wave relative to unpleasant ones, and the high arousal items evoked a larger centro-parietal positivity relative to low arousal ones. These results suggest that valence and arousal may differentially impact these different memory processes: valence affects familiarity and post-retrieval processing, whereas arousal affects recollection. These effects may be due to the conceptual encoding strategies for pleasant information and sensory encoding strategies for high arousal information. PMID:26696862
METHOD OF REDUCING PLUTONIUM COMPOUNDS

DOEpatents

Johns, I.B.

1958-06-01

A method is described for reducing plutonium compounds in aqueous solution from a higher to a lower valence state. This reduction of valence is achieved by treating the aqueous solution of higher valence plutonium compounds with hydrogen in contact with an activated platinum catalyst.
Group entropies, correlation laws, and zeta functions.

PubMed

Tempesta, Piergiulio

2011-08-01

The notion of group entropy is proposed. It enables the unification and generaliztion of many different definitions of entropy known in the literature, such as those of Boltzmann-Gibbs, Tsallis, Abe, and Kaniadakis. Other entropic functionals are introduced, related to nontrivial correlation laws characterizing universality classes of systems out of equilibrium when the dynamics is weakly chaotic. The associated thermostatistics are discussed. The mathematical structure underlying our construction is that of formal group theory, which provides the general structure of the correlations among particles and dictates the associated entropic functionals. As an example of application, the role of group entropies in information theory is illustrated and generalizations of the Kullback-Leibler divergence are proposed. A new connection between statistical mechanics and zeta functions is established. In particular, Tsallis entropy is related to the classical Riemann zeta function.
Reduced Zeta potential through use of cationic adhesion promoter for improved resist process performance and minimizing material consumption

NASA Astrophysics Data System (ADS)

Hodgson, Lorna; Thompson, Andrew

2012-03-01

This paper presents the results of a non-HMDS (non-silane) adhesion promoter that was used to reduce the zeta potential for very thin (proprietary) polymer on silicon. By reducing the zeta potential, as measured by the minimum sample required to fully coat a wafer, the amount of polymer required to coat silicon substrates was significantly reduced in the manufacture of X-ray windows used for high transmission of low-energy X-rays. Moreover, this approach used aqueous based adhesion promoter described as a cationic surface active agent that has been shown to improve adhesion of photoresists (positive, negative, epoxy [SU8], e-beam and dry film). As well as reducing the amount of polymer required to coat substrates, this aqueous adhesion promoter is nonhazardous, and contains non-volatile solvents.
First insights into a type II toxin-antitoxin system from the clinical isolate Mycobacterium sp. MHSD3, similar to epsilon/zeta systems.

PubMed

Jaén-Luchoro, Daniel; Aliaga-Lozano, Francisco; Gomila, Rosa Maria; Gomila, Margarita; Salvà-Serra, Francisco; Lalucat, Jorge; Bennasar-Figueras, Antoni

2017-01-01

A putative type II toxin-antitoxin (TA) system was found in the clinical isolate Mycobacterium sp. MHSD3, a strain closely related to Mycobacterium chelonae. Further analyses of the protein sequences of the two genes revealed the presence of domains related to a TA system. BLAST analyses indicated the presence of closely related proteins in the genomes of other recently published M. chelonae strains. The functionality of both elements of the TA system was demonstrated when expressed in Escherichia coli cells, and the predicted structure of the toxin is very similar to those of well-known zeta-toxins, leading to the definition of a type II TA system similar to epsilon/zeta TA systems in strains that are closely related to M. chelonae.
Molecular basis of length polymorphism in the human zeta-globin gene complex.

PubMed Central

Goodbourn, S E; Higgs, D R; Clegg, J B; Weatherall, D J

1983-01-01

The length polymorphism between the human zeta-globin gene and its pseudogene is caused by an allele-specific variation in the copy number of a tandemly repeating 36-base-pair sequence. This sequence is related to a tandemly repeated 14-base-pair sequence in the 5' flanking region of the human insulin gene, which is known to cause length polymorphism, and to a repetitive sequence in intervening sequence (IVS) 1 of the pseudo-zeta-globin gene. Evidence is presented that the latter is also of variable length, probably because of differences in the copy number of the tandem repeat. The homology between the three length polymorphisms may be an indication of the presence of a more widespread group of related sequences in the human genome, which might be useful for generalized linkage studies. PMID:6308667

Effect of Na4O7P2 on Cu powder preparation from Cu2O-water slurry system.

PubMed

Ahn, J G; Hoang, T H; Kim, D J; Kim, M S; Kim, C O; Chung, H S

2008-03-01

A unique approach is presented for preparing highly dispersed ultrafine copper particles from cuprous oxide slurry using a wet chemical reaction with hydrazine (N2H4) as a reductant along with an appropriate addition of sodium pyrophosphate (Na4O7P2) as a surfactant. It was found that very thin oxidized surfaces on the copper particles are formed during the reaction in the solution and subsequently sodium pyrophosphate plays an important role in the zeta potential of the particles, affecting their dispersion and growth significantly. The copper particles at low zeta potential easily aggregate and grow to bigger ones, whereas they at high zeta potential keep away each other and grew individually to ultrafine size. Additionally, a model for the copper particles growth in accordance with dispersion is proposed.
Relating zeta functions of discrete and quantum graphs

NASA Astrophysics Data System (ADS)

Harrison, Jonathan; Weyand, Tracy

2018-02-01

We write the spectral zeta function of the Laplace operator on an equilateral metric graph in terms of the spectral zeta function of the normalized Laplace operator on the corresponding discrete graph. To do this, we apply a relation between the spectrum of the Laplacian on a discrete graph and that of the Laplacian on an equilateral metric graph. As a by-product, we determine how the multiplicity of eigenvalues of the quantum graph, that are also in the spectrum of the graph with Dirichlet conditions at the vertices, depends on the graph geometry. Finally we apply the result to calculate the vacuum energy and spectral determinant of a complete bipartite graph and compare our results with those for a star graph, a graph in which all vertices are connected to a central vertex by a single edge.
Spectroscopic and Redox Studies of Valence-Delocalized [Fe2S2]+ Centers in Thioredoxin-Like Ferredoxins

PubMed Central

Subramanian, Sowmya; Duin, Evert C.; Fawcett, Sarah E. J.; Armstrong, Fraser A.; Meyer, Jacques; Johnson, Michael K.

2015-01-01

Reduced forms of the C56S and C60S variants of the thioredoxin-like Clostridium pasteurianum [Fe2S2] ferredoxin (CpFd) provide the only known examples of valence-delocalized [Fe2S2]+ clusters, which constitute a fundamental building block of all higher nuclearity Fe-S clusters. In this work, we have revisited earlier work on the CpFd variants and carried out redox and spectroscopic studies on the [Fe2S2]2+,+ centers in wild-type and equivalent variants of the highly homologous and structurally characterized Aquifex aeolicus ferredoxin 4 (AaeFd4) using EPR, UV-visible-NIR absorption, CD and variable-temperature MCD, and protein-film electrochemistry. The results indicate that the [Fe2S2]+ centers in the equivalent AaeFd4 and CpFd variants reversibly interconvert between similar valence-localized S = 1/2 and valence-delocalized S = 9/2 forms as a function of pH, with pKa values in the range 8.3-9.0, due to protonation of the coordinated serinate residue. However, freezing high-pH samples results in partial or full conversion from valence-delocalized S = 9/2 to valence-localized S = 1/2 [Fe2S2]+ clusters. MCD saturation magnetization data for valence-delocalized S = 9/2 [Fe2S2]+ centers facilitated determination of transition polarizations and thereby assignments of low-energy MCD bands associated with the Fe−Fe interaction. The assignments provide experimental assessment of the double exchange parameter, B, for valence-delocalized [Fe2S2]+ centers and demonstrate that variable-temperature MCD spectroscopy provides a means of detecting and investigating the properties of valence-delocalized S = 9/2 [Fe2S2]+ fragments in higher nuclearity Fe-S clusters. The origin of valence delocalization in thioredoxin-like ferredoxin Cys-to-Ser variants and Fe-S clusters in general is discussed in light of these results. PMID:25790339
Differential Effects of Arousal in Positive and Negative Autobiographical Memories

PubMed Central

Ford, Jaclyn Hennessey; Addis, Donna Rose; Giovanello, Kelly S.

2014-01-01

Autobiographical memories are characterized by a range of emotions and emotional reactions. Recent research has demonstrated that differences in emotional valence (positive v. negative emotion) and arousal (the degree of emotional intensity) differentially influence the retrieved memory narrative. Although the mnemonic effects of valence and arousal have both been heavily studied, it is currently unclear whether the effects of emotional arousal are equivalent for positive and negative autobiographical events. In the current study, multilevel models were used to examine differential effects emotional valence and arousal on the richness of autobiographical memory retrieval both between and within subjects. Thirty-four young adults were asked to retrieve personal autobiographical memories associated with popular musical cues and to rate the valence, arousal, and richness of these events. The multilevel analyses identified independent influences of valence and intensity upon retrieval characteristics at the within and between subject levels. In addition, the within subject interactions between valence and arousal highlighted differential effects of arousal for positive and negative memories. These findings have important implications for future studies of emotion and memory, highlighting the importance of considering both valence and arousal when examining the role emotion plays in the richness of memory representation. PMID:22873402
Differential effects of arousal in positive and negative autobiographical memories.

PubMed

Ford, Jaclyn Hennessey; Addis, Donna Rose; Giovanello, Kelly S

2012-01-01

Autobiographical memories are characterised by a range of emotions and emotional reactions. Recent research has demonstrated that differences in emotional valence (positive vs. negative emotion) and arousal (the degree of emotional intensity) differentially influence the retrieved memory narrative. Although the mnemonic effects of valence and arousal have both been heavily studied, it is currently unclear whether the effects of emotional arousal are equivalent for positive and negative autobiographical events. In the current study, multilevel models were used to examine differential effects of emotional valence and arousal on the richness of autobiographical memory retrieval both between and within subjects. Thirty-four young adults were asked to retrieve personal autobiographical memories associated with popular musical cues and to rate the valence, arousal and richness of these events. The multilevel analyses identified independent influences of valence and intensity upon retrieval characteristics at the within- and between-subject levels. In addition, the within-subject interactions between valence and arousal highlighted differential effects of arousal for positive and negative memories. These findings have important implications for future studies of emotion and memory, highlighting the importance of considering both valence and arousal when examining the role emotion plays in the richness of memory representation.
Age effects in emotional prospective memory: cue valence differentially affects the prospective and retrospective component.

PubMed

Schnitzspahn, Katharina M; Horn, Sebastian S; Bayen, Ute J; Kliegel, Matthias

2012-06-01

While first studies suggested that emotional task material may enhance prospective memory performance in young and older adults, the extent and mechanisms of this effect are under debate. The authors explored possible differential effects of cue valence on the prospective and retrospective component of prospective memory in young and older adults. Forty-five young and 41 older adults performed a prospective memory task in which emotional valence of the prospective memory cue was manipulated (positive, negative, neutral). The multinomial model of event-based prospective memory was used to analyze effects of valence and age on the two prospective memory components separately. Results revealed an interaction indicating that age differences were smaller in both emotional valence conditions. For older adults positive cues improved the prospective component, while negative cues improved the retrospective component. No main effect of valence was found for younger adults on an overt accuracy measure, but model-based analyses showed that the retrospective component was enhanced in the positive compared with the negative cue condition. The study extends the literature in demonstrating that processes underlying emotional effects on prospective memory may differ depending on valence and age. PsycINFO Database Record (c) 2012 APA, all rights reserved
Emotional Valence and the Free-Energy Principle

PubMed Central

Joffily, Mateus; Coricelli, Giorgio

2013-01-01

The free-energy principle has recently been proposed as a unified Bayesian account of perception, learning and action. Despite the inextricable link between emotion and cognition, emotion has not yet been formulated under this framework. A core concept that permeates many perspectives on emotion is valence, which broadly refers to the positive and negative character of emotion or some of its aspects. In the present paper, we propose a definition of emotional valence in terms of the negative rate of change of free-energy over time. If the second time-derivative of free-energy is taken into account, the dynamics of basic forms of emotion such as happiness, unhappiness, hope, fear, disappointment and relief can be explained. In this formulation, an important function of emotional valence turns out to regulate the learning rate of the causes of sensory inputs. When sensations increasingly violate the agent's expectations, valence is negative and increases the learning rate. Conversely, when sensations increasingly fulfil the agent's expectations, valence is positive and decreases the learning rate. This dynamic interaction between emotional valence and learning rate highlights the crucial role played by emotions in biological agents' adaptation to unexpected changes in their world. PMID:23785269
The Brain Basis of Positive and Negative Affect: Evidence from a Meta-Analysis of the Human Neuroimaging Literature

PubMed Central

Lindquist, Kristen A.; Satpute, Ajay B.; Wager, Tor D.; Weber, Jochen; Barrett, Lisa Feldman

2016-01-01

The ability to experience pleasant or unpleasant feelings or to represent objects as “positive” or “negative” is known as representing hedonic “valence.” Although scientists overwhelmingly agree that valence is a basic psychological phenomenon, debate continues about how to best conceptualize it scientifically. We used a meta-analysis of 397 functional magnetic resonance imaging (fMRI) and positron emission tomography studies (containing 914 experimental contrasts and 6827 participants) to test 3 competing hypotheses about the brain basis of valence: the bipolarity hypothesis that positive and negative affect are supported by a brain system that monotonically increases and/or decreases along the valence dimension, the bivalent hypothesis that positive and negative affect are supported by independent brain systems, and the affective workspace hypothesis that positive and negative affect are supported by a flexible set of valence-general regions. We found little evidence for the bipolar or bivalent hypotheses. Findings instead supported the hypothesis that, at the level of brain activity measurable by fMRI, valence is flexibly implemented across instances by a set of valence-general limbic and paralimbic brain regions. PMID:25631056
Emotional valence and the free-energy principle.

PubMed

Joffily, Mateus; Coricelli, Giorgio

2013-01-01

The free-energy principle has recently been proposed as a unified Bayesian account of perception, learning and action. Despite the inextricable link between emotion and cognition, emotion has not yet been formulated under this framework. A core concept that permeates many perspectives on emotion is valence, which broadly refers to the positive and negative character of emotion or some of its aspects. In the present paper, we propose a definition of emotional valence in terms of the negative rate of change of free-energy over time. If the second time-derivative of free-energy is taken into account, the dynamics of basic forms of emotion such as happiness, unhappiness, hope, fear, disappointment and relief can be explained. In this formulation, an important function of emotional valence turns out to regulate the learning rate of the causes of sensory inputs. When sensations increasingly violate the agent's expectations, valence is negative and increases the learning rate. Conversely, when sensations increasingly fulfil the agent's expectations, valence is positive and decreases the learning rate. This dynamic interaction between emotional valence and learning rate highlights the crucial role played by emotions in biological agents' adaptation to unexpected changes in their world.
Graph characterization via Ihara coefficients.

PubMed

Ren, Peng; Wilson, Richard C; Hancock, Edwin R

2011-02-01

The novel contributions of this paper are twofold. First, we demonstrate how to characterize unweighted graphs in a permutation-invariant manner using the polynomial coefficients from the Ihara zeta function, i.e., the Ihara coefficients. Second, we generalize the definition of the Ihara coefficients to edge-weighted graphs. For an unweighted graph, the Ihara zeta function is the reciprocal of a quasi characteristic polynomial of the adjacency matrix of the associated oriented line graph. Since the Ihara zeta function has poles that give rise to infinities, the most convenient numerically stable representation is to work with the coefficients of the quasi characteristic polynomial. Moreover, the polynomial coefficients are invariant to vertex order permutations and also convey information concerning the cycle structure of the graph. To generalize the representation to edge-weighted graphs, we make use of the reduced Bartholdi zeta function. We prove that the computation of the Ihara coefficients for unweighted graphs is a special case of our proposed method for unit edge weights. We also present a spectral analysis of the Ihara coefficients and indicate their advantages over other graph spectral methods. We apply the proposed graph characterization method to capturing graph-class structure and clustering graphs. Experimental results reveal that the Ihara coefficients are more effective than methods based on Laplacian spectra.
Generation of nanobubbles by ceramic membrane filters: The dependence of bubble size and zeta potential on surface coating, pore size and injected gas pressure.

PubMed

Ahmed, Ahmed Khaled Abdella; Sun, Cuizhen; Hua, Likun; Zhang, Zhibin; Zhang, Yanhao; Zhang, Wen; Marhaba, Taha

2018-07-01

Generation of gaseous nanobubbles (NBs) by simple, efficient, and scalable methods is critical for industrialization and applications of nanobubbles. Traditional generation methods mainly rely on hydrodynamic, acoustic, particle, and optical cavitation. These generation processes render issues such as high energy consumption, non-flexibility, and complexity. This research investigated the use of tubular ceramic nanofiltration membranes to generate NBs in water with air, nitrogen and oxygen gases. This system injects pressurized gases through a tubular ceramic membrane with nanopores to create NBs. The effects of membrane pores size, surface energy, and the injected gas pressures on the bubble size and zeta potential were examined. The results show that the gas injection pressure had considerable effects on the bubble size, zeta potential, pH, and dissolved oxygen of the produced NBs. For example, increasing the injection air pressure from 69 kPa to 414 kPa, the air bubble size was reduced from 600 to 340 nm respectively. Membrane pores size and surface energy also had significant effects on sizes and zeta potentials of NBs. The results presented here aim to fill out the gaps of fundamental knowledge about NBs and development of efficient generation methods. Copyright © 2018 Elsevier Ltd. All rights reserved.
Electrokinetic mixing at high zeta potentials: ionic size effects on cross stream diffusion.

PubMed

Ahmadian Yazdi, Alireza; Sadeghi, Arman; Saidi, Mohammad Hassan

2015-03-15

The electrokinetic phenomena at high zeta potentials may show several unique features which are not normally observed. One of these features is the ionic size (steric) effect associated with the solutions of high ionic concentration. In the present work, attention is given to the influences of finite ionic size on the cross stream diffusion process in an electrokinetically actuated Y-shaped micromixer. The method consists of a finite difference based numerical approach for non-uniform grid which is applied to the dimensionless form of the governing equations, including the modified Poisson-Boltzmann equation. The results reveal that, neglecting the ionic size at high zeta potentials gives rise to the overestimation of the mixing length, because the steric effects retard liquid flow, thereby enhancing the mixing efficiency. The importance of steric effects is found to be more intense for channels of smaller width to height ratio. It is also observed that, in sharp contrast to the conditions that the ions are treated as point charges, increasing the zeta potential improves the cross stream diffusion when incorporating the ionic size. Moreover, increasing the EDL thickness decreases the mixing length, whereas the opposite is true for the channel aspect ratio. Copyright © 2014 Elsevier Inc. All rights reserved.
Electroosmotic flow of Phan-Thien-Tanner fluids at high zeta potentials: An exact analytical solution

NASA Astrophysics Data System (ADS)

Sarma, Rajkumar; Deka, Nabajit; Sarma, Kuldeep; Mondal, Pranab Kumar

2018-06-01

We present a mathematical model to study the electroosmotic flow of a viscoelastic fluid in a parallel plate microchannel with a high zeta potential, taking hydrodynamic slippage at the walls into account in the underlying analysis. We use the simplified Phan-Thien-Tanner (s-PTT) constitutive relationships to describe the rheological behavior of the viscoelastic fluid, while Navier's slip law is employed to model the interfacial hydrodynamic slip. Here, we derive analytical solutions for the potential distribution, flow velocity, and volumetric flow rate based on the complete Poisson-Boltzmann equation (without considering the frequently used Debye-Hückel linear approximation). For the underlying electrokinetic transport, this investigation primarily reveals the influence of fluid rheology, wall zeta potential as modulated by the interfacial electrochemistry and interfacial slip on the velocity distribution, volumetric flow rate, and fluid stress, as well as the apparent viscosity. We show that combined with the viscoelasticity of the fluid, a higher wall zeta potential and slip coefficient lead to a phenomenal enhancement in the volumetric flow rate. We believe that this analysis, besides providing a deep theoretical insight to interpret the transport process, will also serve as a fundamental design tool for microfluidic devices/systems under electrokinetic influence.
DOE Office of Scientific and Technical Information (OSTI.GOV)

Epstein, N.; Than, K.A. Culp, K.M.

Alpha-thalassemia (alpha-thal) is characterized by the absence or reduction in synthesis of the alpha-globin chain due to either deletions or other abnormalities involving the alpha-globin genes located on the short arm of chromosome 16. The diploid cells have four alpha chain genes. The deletion of one, two, three or all four of these genes could result in mild to a complete alpha chain deficiency known as the Hydrops fetalis syndrome or alpha-thal-1, which causes fetal death. It is important to develop a sensitive test to detect carriers of alpha-thal-1 trait for genetic counseling. It has recently been observed that themore » presence of minute amounts of zeta-globin chains (0.01-1%) could serve as a biological marker of alpha-thal carriers. Because high sensitivity is required, we constructed a monoclonal antibody-based immunoassay which can be analyzed either by colorimetric or fluorimetric methods. By testing blood samples from individuals of Southeast Asian ancestry, we were able to show that various forms and combinations of deletions or inactivations of two or three alpha-globin genes results in alpha-thalassemia conditions that have elevated levels of the zeta-chain. Sensitivity achieved in these tests was < 0.1% zeta chain, or as low as 5 ng zeta-chain. Data correlate with results from reversed phase HPLC.« less
[Computer modeling the hydrostatic pressure characteristics of the membrane potential for polymeric membrane, separated non-homogeneous electrolyte solutions].

PubMed

Slezak, Izabella H; Jasik-Slezak, Jolanta; Rogal, Mirosława; Slezak, Andrzej

2006-01-01

On the basis of model equation depending the membrane potential deltapsis, on mechanical pressure difference (deltaP), concentration polarization coefficient (zetas), concentration Rayleigh number (RC) and ratio concentration of solutions separated by membrane (Ch/Cl), the characteristics deltapsis = f(deltaP)zetas,RC,Ch/Cl for steady values of zetas, RC and Ch/Cl in single-membrane system were calculated. In this system neutral and isotropic polymeric membrane oriented in horizontal plane, the non-homogeneous binary electrolytic solutions of various concentrations were separated. Nonhomogeneity of solutions is results from creations of the concentration boundary layers on both sides of the membrane. Calculations were made for the case where on a one side of the membrane aqueous solution of NaCl at steady concentration 10(-3) mol x l(-1) (Cl) was placed and on the other aqueous solutions of NaCl at concentrations from 10(-3) mol x l(-1) to 2 x 10(-2) mol x l(-1) (Ch). Their densities were greater than NaCl solution's at 10(-3) mol x l(-1). It was shown that membrane potential depends on hydrodynamic state of a complex concentration boundary layer-membrane-concentration boundary layer, what is controlled by deltaP, Ch/Cl, RC and zetas.
Zeta potential in oil-water-carbonate systems and its impact on oil recovery during controlled salinity water-flooding

PubMed Central

Jackson, Matthew D.; Al-Mahrouqi, Dawoud; Vinogradov, Jan

2016-01-01

Laboratory experiments and field trials have shown that oil recovery from carbonate reservoirs can be increased by modifying the brine composition injected during recovery in a process termed controlled salinity water-flooding (CSW). However, CSW remains poorly understood and there is no method to predict the optimum CSW composition. This work demonstrates for the first time that improved oil recovery (IOR) during CSW is strongly correlated to changes in zeta potential at both the mineral-water and oil-water interfaces. We report experiments in which IOR during CSW occurs only when the change in brine composition induces a repulsive electrostatic force between the oil-brine and mineral-brine interfaces. The polarity of the zeta potential at both interfaces must be determined when designing the optimum CSW composition. A new experimental method is presented that allows this. Results also show for the first time that the zeta potential at the oil-water interface may be positive at conditions relevant to carbonate reservoirs. A key challenge for any model of CSW is to explain why IOR is not always observed. Here we suggest that failures using the conventional (dilution) approach to CSW may have been caused by a positively charged oil-water interface that had not been identified. PMID:27876833
Entrapment of ovalbumin into liposomes--factors affecting entrapment efficiency, liposome size, and zeta potential.

PubMed

Brgles, Marija; Jurasin, Darija; Sikirić, Maja Dutour; Frkanec, Ruza; Tomasić, Jelka

2008-01-01

Various amounts of Ovalbumin (OVA) were encapsulated into positively and negatively charged multilamellar liposomes, with the aim to investigate the entrapment efficiency in different buffers and to study their effects on the liposome size and zeta potential. Results showed that the entrapment efficiency of OVA in anionic liposomes was the same in 10 mM Phosphate Buffer (PB) as in Phosphate-Buffered Saline (PBS; PB + 0.15 M NaCl). Also, liposome size was approximately 1200 nm for all anionic liposomes incorporating OVA. The entrapment efficiency of OVA in cationic liposomes was highly dependent on ionic strength. The size of cationic liposomes was approximately 1200 nm in PBS, regardless of protein content, but increased with the amount of the incorporated protein in PB. Aggregation of cationic liposomes in PB was observed when the mass of the protein was 2.5 mg or greater. The zeta potential of anionic liposomes was negative and of cationic liposomes positive in the whole range of protein mass tested. These results show how different compositions of lipid and aqueous phases can be used to vary the entrapment efficiency, liposome size, and zeta potential--the factors that are of great importance for the use of liposomes as drug carriers.
Valence-band-edge shift due to doping in p + GaAs

NASA Astrophysics Data System (ADS)

Silberman, J. A.; de Lyon, T. J.; Woodall, J. M.

1991-05-01

Accurate knowledge of the shifts in valence- and conduction-band edges due to heavy doping effects is crucial in modeling GaAs device structures that utilize heavily doped layers. X-ray photoemission spectroscopy was used to deduce the shift in the valence-band-edge induced by carbon (p type) doping to a carrier density of 1×1020 cm-3 based on a determination of the bulk binding energy of the Ga and As core levels in this material. Analysis of the data indicates that the shift of the valence-band maximum into the gap and the penetration of the Fermi level into the valence bands exactly compensate at this degenerate carrier concentration, to give ΔEv =0.12±0.05 eV.
On the correlations between the polyhedron eccentricity parameters and the bond-valence sums for the cations with one lone electron pair. Addendum.

PubMed

Sidey, Vasyl

2009-06-01

Systematic variations of the bond-valence sums calculated from the poorly determined bond-valence parameters [Sidey (2008), Acta Cryst. B64, 515-518] have been illustrated using a simple graphical scheme.
Examining the role of emotional valence of mind wandering: All mind wandering is not equal.

PubMed

Banks, Jonathan B; Welhaf, Matthew S; Hood, Audrey V B; Boals, Adriel; Tartar, Jaime L

2016-07-01

To evaluate the role of emotional valence on the impact of mind wandering on working memory (WM) and sustained attention, we reanalyzed data from three independently conducted studies that examined the impact of stress on WM (Banks & Boals, 2016; Banks, Welhaf, & Srour, 2015) and sustained attention (Banks, Tartar, & Welhaf, 2014). Across all studies, participants reported the content of their thoughts at random intervals during the WM or sustained attention task. Thought probes in all studies included a core set of response options for task-unrelated thoughts (TUTs) that were negatively, positively, or neutrally emotionally valenced. In line with theories of emotional valenced stimuli on capture of attention, results suggest negatively valenced TUTs, but not positively valenced TUTs, were related to poorer WM and sustained attention in two studies. Neutral TUTs were related to poorer WM but not sustained attention performance. Implications for models of mind wandering are discussed. Copyright © 2016 Elsevier Inc. All rights reserved.

Verbal instructions targeting valence alter negative conditional stimulus evaluations (but do not affect reinstatement rates).

PubMed

Luck, Camilla C; Lipp, Ottmar V

2018-02-01

Negative conditional stimulus (CS) valence acquired during fear conditioning may enhance fear relapse and is difficult to remove as it extinguishes slowly and does not respond to the instruction that unconditional stimulus (US) presentations will cease. We examined whether instructions targeting CS valence would be more effective. In Experiment 1, an image of one person (CS+) was paired with an aversive US, while another (CS-) was presented alone. After acquisition, participants were given positive information about the CS+ poser and negative information about the CS- poser. Instructions reversed the pattern of differential CS valence present during acquisition and eliminated differential electrodermal responding. In Experiment 2, we compared positive and negative CS revaluation by providing positive/negative information about the CS+ and neutral information about CS-. After positive revaluation, differential valence was removed and differential electrodermal responding remained intact. After negative revaluation, differential valence was strengthened and differential electrodermal responding was eliminated. Unexpectedly, the instructions did not affect the reinstatement of differential electrodermal responding.
Facial and semantic emotional interference: A pilot study on the behavioral and cortical responses to the dual valence association task

PubMed Central

2011-01-01

Background Integration of compatible or incompatible emotional valence and semantic information is an essential aspect of complex social interactions. A modified version of the Implicit Association Test (IAT) called Dual Valence Association Task (DVAT) was designed in order to measure conflict resolution processing from compatibility/incompatibly of semantic and facial valence. The DVAT involves two emotional valence evaluative tasks which elicits two forms of emotional compatible/incompatible associations (facial and semantic). Methods Behavioural measures and Event Related Potentials were recorded while participants performed the DVAT. Results Behavioural data showed a robust effect that distinguished compatible/incompatible tasks. The effects of valence and contextual association (between facial and semantic stimuli) showed early discrimination in N170 of faces. The LPP component was modulated by the compatibility of the DVAT. Conclusions Results suggest that DVAT is a robust paradigm for studying the emotional interference effect in the processing of simultaneous information from semantic and facial stimuli. PMID:21489277
Social learning modulates the lateralization of emotional valence.

PubMed

Shamay-Tsoory, Simone G; Lavidor, Michal; Aharon-Peretz, Judith

2008-08-01

Although neuropsychological studies of lateralization of emotion have emphasized valence (positive vs. negative) or type (basic vs. complex) dimensions, the interaction between the two dimensions has yet to be elucidated. The purpose of the current study was to test the hypothesis that recognition of basic emotions is processed preferentially by the right prefrontal cortex (PFC), whereas recognition of complex social emotions is processed preferentially by the left PFC. Experiment 1 assessed the ability of healthy controls and patients with right and left PFC lesions to recognize basic and complex emotions. Experiment 2 modeled the patient's data of Experiment 1 on healthy participants under lateralized displays of the emotional stimuli. Both experiments support the Type as well as the Valence Hypotheses. However, our findings indicate that the Valence Hypothesis holds for basic but less so for complex emotions. It is suggested that, since social learning overrules the basic preference of valence in the hemispheres, the processing of complex emotions in the hemispheres is less affected by valence.
Affective valence signals agency within and between individuals.

PubMed

Chang, Yen-Ping; Algoe, Sara B; Chen, Lung Hung

2017-03-01

Affective valence is a core component of all emotional experiences. Building on recent evidence and theory, we reason that valence informs individuals about their agency-the mental capability of doing and intending. Expressed affect may also lead to perceptions of agency by others. Supporting the hypothesis that valence influences self- and other-perception of agency, across 5 studies, we showed that participants perceived more agency in themselves in positive versus neutral and negative personal (Study 1) and interpersonal (Study 2) events. Participants also perceived more agency in fictional characters showing positive versus negative affect, regardless of how acceptable the characters' behavior was (Studies 3 and 4). Finally, we had participants personify 24 specific emotions across the valence dimension, and found that the more positive and less negative an emotion was, the more agency participants ascribed to the "person" (Study 5). We discuss the results in terms of how valence may help with human self- and social regulation. (PsycINFO Database Record (c) 2017 APA, all rights reserved).
Taboo, emotionally valenced, and emotionally neutral word norms.

PubMed

Janschewitz, Kristin

2008-11-01

Although taboo words are used to study emotional memory and attention, no easily accessible normative data are available that compare taboo, emotionally valenced, and emotionally neutral words on the same scales. Frequency, inappropriateness, valence, arousal, and imageability ratings for taboo, emotionally valenced, and emotionally neutral words were made by 78 native-English-speaking college students from a large metropolitan university. The valenced set comprised both positive and negative words, and the emotionally neutral set comprised category-related and category-unrelated words. To account for influences of demand characteristics and personality factors on the ratings, frequency and inappropriateness measures were decomposed into raters' personal reactions to the words versus raters' perceptions of societal reactions to the words (personal use vs. familiarity and offensiveness vs. tabooness, respectively). Although all word sets were rated higher in familiarity and tabooness than in personal use and offensiveness, these differences were most pronounced for the taboo set. In terms of valence, the taboo set was most similar to the negative set, although it yielded higher arousal ratings than did either valenced set. Imageability for the taboo set was comparable to that of both valenced sets. The ratings of each word are presented for all participants as well as for single-sex groups. The inadequacies of the application of normative data to research that uses emotional words and the conceptualization of taboo words as a coherent category are discussed. Materials associated with this article may be accessed at the Psychonomic Society's Archive of Norms, Stimuli, and Data, www.psychonomic.org/archive.
Emotion and language: Valence and arousal affect word recognition

PubMed Central

Brysbaert, Marc; Warriner, Amy Beth

2014-01-01

Emotion influences most aspects of cognition and behavior, but emotional factors are conspicuously absent from current models of word recognition. The influence of emotion on word recognition has mostly been reported in prior studies on the automatic vigilance for negative stimuli, but the precise nature of this relationship is unclear. Various models of automatic vigilance have claimed that the effect of valence on response times is categorical, an inverted-U, or interactive with arousal. The present study used a sample of 12,658 words, and included many lexical and semantic control factors, to determine the precise nature of the effects of arousal and valence on word recognition. Converging empirical patterns observed in word-level and trial-level data from lexical decision and naming indicate that valence and arousal exert independent monotonic effects: Negative words are recognized more slowly than positive words, and arousing words are recognized more slowly than calming words. Valence explained about 2% of the variance in word recognition latencies, whereas the effect of arousal was smaller. Valence and arousal do not interact, but both interact with word frequency, such that valence and arousal exert larger effects among low-frequency words than among high-frequency words. These results necessitate a new model of affective word processing whereby the degree of negativity monotonically and independently predicts the speed of responding. This research also demonstrates that incorporating emotional factors, especially valence, improves the performance of models of word recognition. PMID:24490848
Optoreflectometry determination of the resonance properties of a vocal fold.

PubMed

Garrel, Renaud; Nicollas, Richard; Giovanni, Antoine; Ouaknine, Maurice

2007-09-01

A new method of measuring the resonance properties of a vocal fold using electromagnetic excitation and laser optoreflectometry for response monitoring is described. Two resonance peaks were experimentally identified with one magnet stuck on the vocal fold at frequencies F0(1m)=54.7 Hz and F0'(1m)=35.8 Hz. The addition of a second magnet allowed calculation of the actual viscoelastic properties of the vocal fold: F0=71.8 Hz; quality factor Q=8.03; mass m=0.057 g; stiffness k=11.6 Nm; and damping zeta=0.0032 Nm(-1). A numerical simulation of a two-layered model verified the experimental data.
Quality of implementation: developing measures crucial to understanding the diffusion of preventive interventions.

PubMed

Dusenbury, Linda; Brannigan, Rosalind; Hansen, William B; Walsh, John; Falco, Mathea

2005-06-01

As prevention programs become disseminated, the most serious threat to effectiveness is maintaining the quality of implementation intended by the developers. This paper proposes a methodology for measuring quality of implementation in school settings and presents data from a pilot study designed to test several of the proposed components. These methods included assessments of adherence, quality of process, the positive or negative valence of adaptations, teachers' attitudes and teachers' understanding of program content. This study was conducted with 11 teachers who had varying degrees of experience who taught Life Skills Training. Observation and interview data were collected during visits to schools. Results suggest that quality of implementation can be measured through observation and interview. Teachers varied in adherence and quality of program delivery. All teachers made adaptations to the program. Experienced teachers were more likely to adhere to the curriculum, deliver it in a way that was more interactive and engaging to students, communicate the goals and objectives better, and make positive adaptations. The field can use these findings as the basis for exploring strategies for measuring and improving quality of implementation.
Temperature dependence of 2DEG and excitonic optical transitions in AlGaN/GaN heterostructures on SiC

NASA Astrophysics Data System (ADS)

Litton, C. W.; Reynolds, D. C.; Hoelscher, J. E.; Collins, T. C.; Fitch, R.; Via, G. D.; Gillespie, J.; Crespo, A.; Jenkins, T. J.; Worley, R.; Saxler, A.

2005-05-01

Four (4) unique optical transitions are reported in both the emission and reflection spectra of high-quality AlGaN/GaN heterostructures. Study of the shifts of spectral peak energies and their intensity variations with temperature, reveal that these transitions arise from Free Exciton recombination and transitions between the A- and B-valence bands and the excited states of the 2-dimensional electron gas (2DEG) at the heterointerface.
The XXL Survey: First Results and Future

NASA Technical Reports Server (NTRS)

Pierre, M.; Adami, C.; Birkinshaw, M.; Chiappetti, L.; Ettori, S.; Evrard, A.; Faccioli, L.; Gastaldello, F.; Giles, P.; Horellou, C.;

2017-01-01

The XXL survey currently covers two 25 deg2 patches with XMM observations of approximately 10 ks. We summarize the scientific results associated with the first release of the XXL dataset, which occurred in mid-2016.We review several arguments for increasing the survey depth to 40 ks during the next decade of XMM operations. X-ray(zeta less than 2) cluster, (zeta less than 4) active galactic nuclei (AGN), and cosmic background survey science will then benefit from an extraordinary data reservoir. This, combined with deep multi-lambda observations, will lead to solid standalone cosmological constraints and provide a wealth of information on the formation and evolution of AGN, clusters, and the X-ray background. In particular, it will offer a unique opportunity to pinpoint the zeta greater than1 cluster density. It will eventually constitute a reference study and an ideal calibration field for the upcoming eROSITA and Euclid missions.

Composition of PLGA and PEI/DNA nanoparticles improves ultrasound-mediated gene delivery in solid tumors in vivo.

PubMed

Chumakova, Olga V; Liopo, Anton V; Andreev, Valery G; Cicenaite, Inga; Evers, B Mark; Chakrabarty, Shilla; Pappas, Todd C; Esenaliev, Rinat O

2008-03-18

The goal of this study was to enhance gene delivery and tumor cell transfection in vivo by using a combination of ultrasonication with complex nanoparticles consisting of two types of nanoparticles: PEI/DNA beta-gal plasmid with highly positive zeta-potential and air-filled poly (lactic-co-glycolic acid) (PLGA) particles (with negative zeta-potential) manufactured in our laboratory. The PLGA/PEI/DNA nanoparticles were a colloid with positive zeta-potential and injected i.v. in nude mice with DU145 human prostate tumors. We found that the combination of PLGA/PEI/DNA nanoparticles with ultrasonication substantially enhanced tumor cell transfection in vivo. The overexpression of beta-gal gene was evaluated histochemically and by Western blot analysis. At least an 8-fold increase of the cell transfection efficacy was obtained in irradiated tumors compared to non-irradiated controls, while little to no cell death was produced by ultrasonication.
Properties of nanocomposite PP fibres

NASA Astrophysics Data System (ADS)

Smole, Majda S.; Stakne, Kristina; Svetec, Diana G.; Kleinschek, Karin S.; Ribitsch, Volker

2005-06-01

PP-based nanocomposite fibres were prepared by direct polymer melt intercalation. With the intention to determine the size and dispersion of nanoparticles in the polymer matrix, fibres were plasma etched and SEM observations were performed. The influence of nanofiller content and coupling agent on electrokinetic properties was studied. PP monofilament fibres exhibit hydrophobe character with negative zeta potential value. The zeta potential value of co-polymer PP fibre decreases with increasing PPAA content and the isoelectric point IEP of co-polymer samples shifts towards acid region. Addition of modified montmorillonite due to the particles electropositive character, affects the reduction of zeta potential value and a slight shift of IEP towards neutral region is observed. Nano-particles content influences electrokinetic fibres properties, i.e. ZP value is changed, however IE point is not significantly changed by different concentrations of nanofiller. In addition to, mechanical properties of nanocomposite fibres were determined.
Electrokinetic properties of PMAA functionalized NiFe2O4 nanoparticles synthesized by thermal plasma route

NASA Astrophysics Data System (ADS)

Bhosale, Shivaji V.; Mhaske, Pravin; Kanhe, N.; Navale, A. B.; Bhoraskar, S. V.; Mathe, V. L.; Bhatt, S. K.

2014-04-01

The magnetic nickel ferrite (NiFe2O4) nanoparticles with an average size of 30nm were synthesised by Transferred arc DC Thermal Plasma route. The synthesized nickel ferrite nanoparticles were characterized by TEM and FTIR techniques. The synthesized nickel ferrite nanoparticles were further functionalized with PMAA (polymethacrylic acid) by self emulsion polymerization method and subsequently were characterized by FTIR and Zeta Analyzer. The variation of zeta potential with pH was systematically studied for both PMAA functionalized (PNFO) and uncoated nickel ferrite nanoparticles (NFO). The IEP (isoelectric points) for PNFO and NFO was determined from the graph of zeta potential vs pH. It was observed that the IEP for NFO was at 7.20 and for PNFO it was 2.52. The decrease in IEP of PNFO was attributed to the COOH functional group of PMAA.
Rainfastness of insecticides used to control Japanese beetle in blueberries.

PubMed

Hulbert, Daniel; Reeb, Pablo; Isaacs, Rufus; Vandervoort, Christine; Erhardt, Susan; Wise, John C

2012-10-01

Field-based bioassays were used to determine the relative impact of rainfall on the relative toxicity of four insecticides, phosmet, carbaryl, zeta-cypermethrin, or imidacloprid, from different chemical classes on adult Japanese beetles, Popillia japonica Newman, in highbush blueberries, Vaccinium corymbosum L. Bioassays were set up 24 h after spraying occurred and Japanese beetle condition was scored as alive, knockdown or immobile 1, 24, and 48 h after bioassay setup. All insecticides were significantly more toxic than the untreated control and zeta-cypermethrin consistently had the greatest toxic effect against the Japanese beetles. All insecticides experienced a decrease in efficacy after simulated rainfall onto treated blueberry shoots, although the efficacy of zeta-cypermethrin was the least affected by rainfall. This study will help blueberry growers make informed decisions on when reapplications of insecticides are needed in the field with the aim of improving integrated pest management (IPM).
Cursory examination of the zeta potential behaviors of two optical materials

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

Tesar, A.; Oja, T.

1992-01-02

When an oxide surface is placed in water, a difference in potential across the interface occurs due to dipole orientation. Hydroxyl groups or bound oxygen atoms on the oxide surface will orient adjacent water molecules which balance the dipole charge. This occurs over some small distance called the electrical double layer. Trace amounts of high field strength ions present in the vicinity of the double layer can have significant effects on the double layer. When there is movement of the oxide surface with respect to the water, a shearing of the double layer occurs. The electrical potential at this surfacemore » of shear is termed the zeta potential. The impetus for this study was to document the zeta potential behavior in water of two optical materials. (1) a multicomponent phosphate glass; and (2) Zerodur, a silicate glass-ceramic.« less
Effects of Emotional Valence and Arousal on Recollective and Nonrecollective Recall

ERIC Educational Resources Information Center

Gomes, Carlos F. A.; Brainerd, Charles J.; Stein, Lilian M.

2013-01-01

The authors investigated the effects of valence and arousal on memory using a dual-process model that quantifies recollective and nonrecollective components of recall without relying on metacognitive judgments to separate them. The results showed that valenced words increased reconstruction (a component of nonrecollective retrieval) relative to…
Interpersonal Valence Dimensions as Discriminators of Communication Contexts: An Empirical Assessment of Dyadic Linkages.

ERIC Educational Resources Information Center

Garrison, John P.; And Others

The capability of 14 interpersonal dimensions to predict dyadic communication contexts was investigated in this study. Friend, acquaintance, co-worker, and family contexts were examined. The interpersonal valence construct, based on a coactive or mutual-causal paradigm, encompasses traditional source-valence components (credibility, power,…
Investigating Valence and Autonomy in Children's Relationships with Imaginary Companions

ERIC Educational Resources Information Center

McInnis, Melissa A.; Pierucci, Jillian M.; Gilpin, Ansley Tullos

2013-01-01

Little research has explored valence and autonomy in children's imaginary relationships. In the present study, a new interview (modeled after an existing measure for real relationships) was designed to elicit descriptions of both positive and negative interactions with imaginary companions and to provide a measure of relationship valence and…
Covalence of atoms in the heavier transition metals*

PubMed Central

Pauling, Linus

1977-01-01

The observed magnetic properties of the heavier transition metals permit them to have larger metallic valences than their iron-group congeners. With 0.72 metallic orbital, as found for the iron-group metals, the maximum metallic valence and minimum interatomic distance would occur for 8.28 transargononic electrons. The curves of observed interatomic distances for the close-packed metals of the second and third long periods have minima at this point, supporting the assignment of high valences to these metals. Values of the single-bond radii corresponding to these valences are calculated. PMID:16592407
Changing the conversation: the influence of emotions on conversational valence and alcohol consumption.

PubMed

Hendriks, Hanneke; van den Putte, Bas; de Bruijn, Gert-Jan

2014-10-01

Health campaign effects may be improved by taking interpersonal communication processes into account. The current study, which employed an experimental, pretest-posttest, randomized exposure design (N = 208), investigated whether the emotions induced by anti-alcohol messages influence conversational valence about alcohol and subsequent persuasion outcomes. The study produced three main findings. First, an increase in the emotion fear induced a negative conversational valence about alcohol. Second, fear was most strongly induced by a disgusting message, whereas a humorous appeal induced the least fear. Third, a negative conversational valence elicited healthier binge drinking attitudes, subjective norms, perceived behavioral control, intentions, and behaviors. Thus, health campaign planners and health researchers should pay special attention to the emotional characteristics of health messages and should focus on inducing a healthy conversational valence.

Affective imposition influences risky choice: handedness points to the hemispheres.

PubMed

McElroy, Todd; Corbin, Jonathan

2010-07-01

The study of risk preference has become a widely investigated area of research. The current study is designed to investigate the relationship between handedness, hemispheric predominance and valence imposition in a risky-choice decision task. Research into the valence hypothesis (e.g., Ahern & Schwartz, 1985; Davidson, 1984) has shown that the left hemisphere is more active in processing positively valenced stimuli, whereas the right hemisphere is more active in processing negatively valenced stimuli. A total of 520 individuals (343 female, 117 male) participated in a self-imposed framing task and took a degree of handedness questionnaire. The results of the framing task and handedness questionnaire showed that participants' degree of handedness significantly influenced the positive/negative valence they imposed onto the framing task as well as their level of risk preference.
Observation procedure, observer gender, and behavior valence as determinants of sampling error in a behavior assessment analogue

PubMed Central

Farkas, Gary M.; Tharp, Roland G.

1980-01-01

Several factors thought to influence the representativeness of behavioral assessment data were examined in an analogue study using a multifactorial design. Systematic and unsystematic methods of observing group behavior were investigated using 18 male and 18 female observers. Additionally, valence properties of the observed behaviors were inspected. Observers' assessments of a videotape were compared to a criterion code that defined the population of behaviors. Results indicated that systematic observation procedures were more accurate than unsystematic procedures, though this factor interacted with gender of observer and valence of behavior. Additionally, males tended to sample more representatively than females. A third finding indicated that the negatively valenced behavior was overestimated, whereas the neutral and positively valenced behaviors were accurately assessed. PMID:16795631
Valence interacts with the early ERP old/new effect and arousal with the sustained ERP old/new effect for affective pictures.

PubMed

Van Strien, Jan W; Langeslag, Sandra J E; Strekalova, Nadja J; Gootjes, Liselotte; Franken, Ingmar H A

2009-01-28

To examine whether valence and arousal influence recognition memory during early automatic or during more sustained processes, event-related brain potentials (ERPs) of 21 women were recorded while they made old/new judgments in a continuous recognition task with pictures from the International Affective Picture System. The pictures were presented twice and differed in emotional valence and arousal. The P1 peak and four time windows were investigated: 200-300 ms, 300-400 ms, 400-600 ms, and 750-1000 ms after stimulus onset. There was a robust old/new effect starting in the 200-300 ms epoch and lasting all time windows. The valence effect was mainly present in the P1 peak and the 200-400 ms epoch, whereas the arousal effect was found in the 300-1000 ms epoch. Exploratory sLORETA analyses dissociated valence-dependent ventromedial prefrontal activity and arousal-dependent occipital activity in the 350-380 ms time window. Valence interacted with the 200-400 ms old/new effect at central and frontal sites. Arousal interacted with the 750-1000 ms old/new effect at posterior sites. It is concluded that valence influences fast recognition memory, while arousal may influence sustained encoding.
Neurocognitive processes of linguistic cues related to death.

PubMed

Han, Shihui; Qin, Jungang; Ma, Yina

2010-10-01

Consciousness of the finiteness of one's personal existence influences human thoughts and behaviors tremendously. However, the neural substrates underlying the processing of death-related information remain unclear. The current study addressed this issue by scanning 20 female adults, using functional magnetic resonance imaging, in a modified Stroop task that required naming colors of death-related, negative-valence, and neutral-valence words. We found that, while both death-related and negative-valence words increased activity in the precuneus/posterior cingulate and lateral frontal cortex relative to neutral-valence words, the neural correlate of the processing of death-related words was characterized by decreased activity in bilateral insula relative to both negative-valence and neutral-valence words. Moreover, the decreased activity in the left insula correlated with subjective ratings of death relevance of death-related words and the decreased activity in the right insula correlated with subjective ratings of arousal induced by death-related words. Our fMRI findings suggest that, while both death-related and negative-valence words are associated with enhanced arousal and emotion regulation, the processing of linguistic cues related to death is associated with modulations of the activity in the insula that mediates neural representation of the sentient self. Copyright © 2010 Elsevier Ltd. All rights reserved.
The Brain Basis of Positive and Negative Affect: Evidence from a Meta-Analysis of the Human Neuroimaging Literature.

PubMed

Lindquist, Kristen A; Satpute, Ajay B; Wager, Tor D; Weber, Jochen; Barrett, Lisa Feldman

2016-05-01

The ability to experience pleasant or unpleasant feelings or to represent objects as "positive" or "negative" is known as representing hedonic "valence." Although scientists overwhelmingly agree that valence is a basic psychological phenomenon, debate continues about how to best conceptualize it scientifically. We used a meta-analysis of 397 functional magnetic resonance imaging (fMRI) and positron emission tomography studies (containing 914 experimental contrasts and 6827 participants) to test 3 competing hypotheses about the brain basis of valence: the bipolarity hypothesis that positive and negative affect are supported by a brain system that monotonically increases and/or decreases along the valence dimension, the bivalent hypothesis that positive and negative affect are supported by independent brain systems, and the affective workspace hypothesis that positive and negative affect are supported by a flexible set of valence-general regions. We found little evidence for the bipolar or bivalent hypotheses. Findings instead supported the hypothesis that, at the level of brain activity measurable by fMRI, valence is flexibly implemented across instances by a set of valence-general limbic and paralimbic brain regions. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.
A DFT and ab initio benchmarking study of metal-alkane interactions and the activation of carbon-hydrogen bonds.

PubMed

Flener-Lovitt, Charity; Woon, David E; Dunning, Thom H; Girolami, Gregory S

2010-02-04

Density functional theory and ab initio methods have been used to calculate the structures and energies of minima and transition states for the reactions of methane coordinated to a transition metal. The reactions studied are reversible C-H bond activation of the coordinated methane ligand to form a transition metal methyl hydride complex and dissociation of the coordinated methane ligand. The reaction sequence can be summarized as L(x)M(CH(3))H <==> L(x)M(CH(4)) <==> L(x)M + CH(4), where L(x)M is the osmium-containing fragment (C(5)H(5))Os(R(2)PCH(2)PR(2))(+) and R is H or CH(3). Three-center metal-carbon-hydrogen interactions play an important role in this system. Both basis sets and functionals have been benchmarked in this work, including new correlation consistent basis sets for a third transition series element, osmium. Double zeta quality correlation consistent basis sets yield energies close to those from calculations with quadruple-zeta basis sets, with variations that are smaller than the differences between functionals. The energies of important species on the potential energy surface, calculated by using 10 DFT functionals, are compared both to experimental values and to CCSD(T) single point calculations. Kohn-Sham natural bond orbital descriptions are used to understand the differences between functionals. Older functionals favor electrostatic interactions over weak donor-acceptor interactions and, therefore, are not particularly well suited for describing systems--such as sigma-complexes--in which the latter are dominant. Newer kinetic and dispersion-corrected functionals such as MPW1K and M05-2X provide significantly better descriptions of the bonding interactions, as judged by their ability to predict energies closer to CCSD(T) values. Kohn-Sham and natural bond orbitals are used to differentiate between bonding descriptions. Our evaluations of these basis sets and DFT functionals lead us to recommend the use of dispersion corrected functionals in conjunction with double-zeta or larger basis sets with polarization functions for calculations involving weak interactions, such as those found in sigma-complexes with transition metals.
Stability and magnetically induced heating behavior of lipid-coated Fe3O4 nanoparticles.

PubMed

Allam, Ayat A; Sadat, Md Ehsan; Potter, Sarah J; Mast, David B; Mohamed, Dina F; Habib, Fawzia S; Pauletti, Giovanni M

2013-10-17

Magnetic nanoparticles that are currently explored for various biomedical applications exhibit a high propensity to minimize total surface energy through aggregation. This study introduces a unique, thermoresponsive nanocomposite design demonstrating substantial colloidal stability of superparamagnetic Fe3O4 nanoparticles (SPIONs) due to a surface-immobilized lipid layer. Lipid coating was accomplished in different buffer systems, pH 7.4, using an equimolar mixture of 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) and l-α-dipalmitoylphosphatidyl glycerol (DPPG). Particle size and zeta potential were measured by dynamic laser light scattering. Heating behavior within an alternating magnetic field was compared between the commercial MFG-1000 magnetic field generator at 7 mT (1 MHz) and an experimental, laboratory-made magnetic hyperthermia system at 16.6 mT (13.7 MHz). The results revealed that product quality of lipid-coated SPIONs was significantly dependent on the colloidal stability of uncoated SPIONs during the coating process. Greatest stability was achieved at 0.02 mg/mL in citrate buffer (mean diameter = 80.0 ± 1.7 nm; zeta potential = -47.1 ± 2.6 mV). Surface immobilization of an equimolar DPPC/DPPG layer effectively reduced the impact of buffer components on particle aggregation. Most stable suspensions of lipid-coated nanoparticles were obtained at 0.02 mg/mL in citrate buffer (mean diameter = 179.3 ± 13.9 nm; zeta potential = -19.1 ± 2.3 mV). The configuration of the magnetic field generator significantly affected the heating properties of fabricated SPIONs. Heating rates of uncoated nanoparticles were substantially dependent on buffer composition but less influenced by particle concentration. In contrast, thermal behavior of lipid-coated nanoparticles within an alternating magnetic field was less influenced by suspension vehicle but dramatically more sensitive to particle concentration. These results underline the advantages of lipid-coated SPIONs on colloidal stability without compromising magnetically induced hyperthermia properties. Since phospholipids are biocompatible, these unique lipid-coated Fe3O4 nanoparticles offer exciting opportunities as thermoresponsive drug delivery carriers for targeted, stimulus-induced therapeutic interventions. PACS: 7550Mw; 7575Cd; 8185Qr.
Stability and magnetically induced heating behavior of lipid-coated Fe3O4 nanoparticles

NASA Astrophysics Data System (ADS)

Allam, Ayat A.; Sadat, Md Ehsan; Potter, Sarah J.; Mast, David B.; Mohamed, Dina F.; Habib, Fawzia S.; Pauletti, Giovanni M.

2013-10-01

Magnetic nanoparticles that are currently explored for various biomedical applications exhibit a high propensity to minimize total surface energy through aggregation. This study introduces a unique, thermoresponsive nanocomposite design demonstrating substantial colloidal stability of superparamagnetic Fe3O4 nanoparticles (SPIONs) due to a surface-immobilized lipid layer. Lipid coating was accomplished in different buffer systems, pH 7.4, using an equimolar mixture of 1,2-dipalmitoyl- sn-glycero-3-phosphocholine (DPPC) and l-α-dipalmitoylphosphatidyl glycerol (DPPG). Particle size and zeta potential were measured by dynamic laser light scattering. Heating behavior within an alternating magnetic field was compared between the commercial MFG-1000 magnetic field generator at 7 mT (1 MHz) and an experimental, laboratory-made magnetic hyperthermia system at 16.6 mT (13.7 MHz). The results revealed that product quality of lipid-coated SPIONs was significantly dependent on the colloidal stability of uncoated SPIONs during the coating process. Greatest stability was achieved at 0.02 mg/mL in citrate buffer (mean diameter = 80.0 ± 1.7 nm; zeta potential = -47.1 ± 2.6 mV). Surface immobilization of an equimolar DPPC/DPPG layer effectively reduced the impact of buffer components on particle aggregation. Most stable suspensions of lipid-coated nanoparticles were obtained at 0.02 mg/mL in citrate buffer (mean diameter = 179.3 ± 13.9 nm; zeta potential = -19.1 ± 2.3 mV). The configuration of the magnetic field generator significantly affected the heating properties of fabricated SPIONs. Heating rates of uncoated nanoparticles were substantially dependent on buffer composition but less influenced by particle concentration. In contrast, thermal behavior of lipid-coated nanoparticles within an alternating magnetic field was less influenced by suspension vehicle but dramatically more sensitive to particle concentration. These results underline the advantages of lipid-coated SPIONs on colloidal stability without compromising magnetically induced hyperthermia properties. Since phospholipids are biocompatible, these unique lipid-coated Fe3O4 nanoparticles offer exciting opportunities as thermoresponsive drug delivery carriers for targeted, stimulus-induced therapeutic interventions.
Electric dipole (hyper)polarizabilities of selected X2Y2 and X3Y3 (X = Al, Ga, In and Y = P, As): III-V semiconductor clusters. An ab initio comparative study.

PubMed

Karamanis, Panaghiotis; Pouchan, Claude; Leszczynski, Jerzy

2008-12-25

A systematic ab initio comparative study of the (hyper)polarizabilities of selected III-V stoichiometric semiconductor clusters has been carried out. Our investigation focuses on the ground state structures of the dimers and on two dissimilar trimer configurations of aluminum, gallium, indium phosphide and arsenide. The basis set effect on both the polarizabilities and hyperpolarizabilities of the studied systems has been explicitly taken into account relying on the augmented correlation consistent aug-cc-pVnZ (n = D, T, Q, and 5) basis sets series. In addition, a rough estimation of the effects of the relativistic effects on the investigated properties is provided by extension of the study to include calculations performed with relativistic electron core potentials (or pseudopotentials). Electron correlation effects have been estimated utilizing methods of increasing predictive reliability, e.g., the Møller-Plesset many body perturbation theory and the couple cluster approach. Our results reveal that in the considered semiconductor species the Group III elements (Al, Ga, In) play a vital role on the values of their relative (hyper)polarizability. At all levels of theory employed the most hyperpolarizable clusters are the indium derivatives while the aluminum arsenide clusters also exhibit high, comparable hyperpolarizabilities. The less hyperpolarizable species are those composed of gallium and this is associated with the strong influence of the nuclear charge on the valence electrons of Ga due to the poor shielding that is provided by the semicore d electrons. In addition, the analysis of the electronic structure and the hyperpolarizability magnitudes reveals that clusters, in which their bonding is characterized by strong electron transfer from the electropositive to the electronegative atoms, are less hyperpolarizable than species in which the corresponding electron transfer is weaker. Lastly, from the methodological point of view our results point out that the hyperpolarizabilities of those species converge when an augmented triple-zeta quality basis set is used and, also, that the second order Møller-Plesset approximation (MP2) overestimates considerably their second hyperpolarizabilities with respect to the highest level of coupled cluster theory applied in this study (CCSD(T)).
Autoclave growth, magnetic, and optical properties of GdB6 nanowires

NASA Astrophysics Data System (ADS)

Han, Wei; Wang, Zhen; Li, Qidong; Liu, Huatao; Fan, Qinghua; Dong, Youzhong; Kuang, Quan; Zhao, Yanming

2017-12-01

High-quality single crystalline gadolinium hexaboride (GdB6) nanowires have been successfully prepared at very low temperatures of 200-240 °C by a high pressure solid state (HPSS) method in an autoclave with a new chemical reaction route, where Gd, H3BO3, Mg and I2 were used as raw materials. The crystal structure, morphology, valence, magnetic and optical absorption properties were investigated using XRD, FESEM, HRTEM, XPS, SQUID magnetometry and optical measurements. HRTEM images and SAED patterns reveal that the GdB6 nanowires are single crystalline with a preferred growth direction along [001]. The XPS spectrum suggests that the valence of Gd ion in GdB6 is trivalent. The effective magnetic momentum per Gd3+ in GdB6 is about 6.26 μB. The optical properties exhibit weak absorption in the visible light range, but relatively strong absorbance in the NIR and UV range. Low work function and high NIR absorption can make GdB6 nanowires a potential solar radiation shielding material for solar cells or other NIR blocking applications.
Direct Visualization of Orbital Flipping in Volborthite by Charge Density Analysis Using Detwinned Data

NASA Astrophysics Data System (ADS)

Sugawara, Kento; Sugimoto, Kunihisa; Fujii, Tatsuya; Higuchi, Takafumi; Katayama, Naoyuki; Okamoto, Yoshihiko; Sawa, Hiroshi

2018-02-01

The distribution of d-orbital valence electrons in volborthite [Cu3V2O7(OH)2 • 2H2O] was investigated by charge density analysis of the multipole model refinement. Diffraction data were obtained by synchrotron radiation single-crystal X-ray diffraction experiments. Data reduction by detwinning of the multiple structural domains was performed using our developed software. In this study, using high-quality data, we demonstrated that the water molecules in volborthite can be located by the hydrogen bonding in cavities that consist of Kagome lattice layers of CuO4(OH)2 and pillars of V2O7. Final multipole refinements before and after the structural phase transition directly visualized the deformation electron density of the valence electrons. We successfully directly visualized the orbital flipping of the d-orbital dx2-y2, which is the highest level of 3d orbitals occupied by d9 electrons in volborthite. The developed techniques and software can be employed for investigations of structural properties of systems with multiple structural domains.
Evidence for anisotropic dielectric properties of monoclinic hafnia using valence electron energy-loss spectroscopy in high-resolution transmission electron microscopy and ab initio time-dependent density-functional theory

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

Guedj, C.; CEA, LETI, MINATEC Campus, F-38054 Grenoble; Hung, L.

2014-12-01

The effect of nanocrystal orientation on the energy loss spectra of monoclinic hafnia (m-HfO{sub 2}) is measured by high resolution transmission electron microscopy (HRTEM) and valence energy loss spectroscopy (VEELS) on high quality samples. For the same momentum-transfer directions, the dielectric properties are also calculated ab initio by time-dependent density-functional theory (TDDFT). Experiments and simulations evidence anisotropy in the dielectric properties of m-HfO{sub 2}, most notably with the direction-dependent oscillator strength of the main bulk plasmon. The anisotropic nature of m-HfO{sub 2} may contribute to the differences among VEELS spectra reported in literature. The good agreement between the complex dielectricmore » permittivity extracted from VEELS with nanometer spatial resolution, TDDFT modeling, and past literature demonstrates that the present HRTEM-VEELS device-oriented methodology is a possible solution to the difficult nanocharacterization challenges given in the International Technology Roadmap for Semiconductors.« less
Cross-modal Associations between Real Tastes and Colors.

PubMed

Saluja, Supreet; Stevenson, Richard J

2018-06-02

People make reliable and consistent matches between taste and color. However, in contrast to other cross-modal correspondences, all of the research to date has used only taste words (and often color words too), potentially limiting our understanding of how taste-color matches arise. Here, participants sampled the five basic tastes, at three concentration steps, and selected their best matching color from a color-wheel. This test was repeated, and in addition, participants evaluated the valence of the taste and their color choice, as well as the qualities/intensities of the taste stimuli. Participants were then presented with taste names and asked to generate the best matching color name, as well as reporting how they made their earlier choices. Color selections were reliable and consistent, and closely followed those based on taste word matches obtained in this and prior studies. Most participants reported basing their color choices on their associated taste-object (often foods). There was marked similarity in valence between taste and color choices, and the saturation of color choices was related to tastant concentration. We discuss what drives color-taste pairings, with learning suggested as one possible mechanism.
Complexation of Polyelectrolytes with Hydrophobic Drug Molecules in Salt-Free Solution: Theory and Simulations.

PubMed

Lei, Qun-Li; Hadinoto, Kunn; Ni, Ran

2017-04-18

The delivery and dissolution of poorly soluble drugs is challenging in the pharmaceutical industry. One way to significantly improve the delivery efficiency is to incorporate these hydrophobic small molecules into a colloidal polyelectrolyes(PE)-drug complex in their ionized states. Despite its huge application value, the general mechanism of PE collapse and complex formation in this system has not been well understood. In this work, by combining a mean-field theory with extensive molecular simulations, we unveil the phase behaviors of the system under dilute and salt-free conditions. We find that the complexation is a first-order-like phase transition triggered by the hydrophobic attraction between the drug molecules. Importantly, the valence ratio between the drug molecule and PE monomer plays a crucial role in determining the stability and morphology of the complex. Moreover, the sign of the zeta potential and the net charge of the complex are found to be inverted as the hydrophobicity of the drug molecules increases. Both theory and simulation indicate that the complexation point and complex morphology and the electrostatic properties of the complex have a weak dependence on chain length. Finally, the dynamics aspect of PE-drug complexation is also explored, and it is found that the complex can be trapped into a nonequilibrium glasslike state when the hydropobicity of the drug molecule is too strong. Our work gives a clear physical picture behind the PE-drug complexation phenomenon and provides guidelines to fabricate the colloidal PE-drug complex with the desired physical characteristics.
DFT analysis on the molecular structure, vibrational and electronic spectra of 2-(cyclohexylamino)ethanesulfonic acid

NASA Astrophysics Data System (ADS)

Renuga Devi, T. S.; Sharmi kumar, J.; Ramkumaar, G. R.

2015-02-01

The FTIR and FT-Raman spectra of 2-(cyclohexylamino)ethanesulfonic acid were recorded in the regions 4000-400 cm-1 and 4000-50 cm-1 respectively. The structural and spectroscopic data of the molecule in the ground state were calculated using Hartee-Fock and Density functional method (B3LYP) with the correlation consistent-polarized valence double zeta (cc-pVDZ) basis set and 6-311++G(d,p) basis set. The most stable conformer was optimized and the structural and vibrational parameters were determined based on this. The complete assignments were performed based on the Potential Energy Distribution (PED) of the vibrational modes, calculated using Vibrational Energy Distribution Analysis (VEDA) 4 program. With the observed FTIR and FT-Raman data, a complete vibrational assignment and analysis of the fundamental modes of the compound were carried out. Thermodynamic properties and Atomic charges were calculated using both Hartee-Fock and density functional method using the cc-pVDZ basis set and compared. The calculated HOMO-LUMO energy gap revealed that charge transfer occurs within the molecule. 1H and 13C NMR chemical shifts of the molecule were calculated using Gauge Including Atomic Orbital (GIAO) method and were compared with experimental results. Stability of the molecule arising from hyperconjugative interactions, charge delocalization have been analyzed using Natural Bond Orbital (NBO) analysis. The first order hyperpolarizability (β) and Molecular Electrostatic Potential (MEP) of the molecule was computed using DFT calculations. The electron density based local reactivity descriptor such as Fukui functions were calculated to explain the chemical reactivity site in the molecule.
Cotransport of bacteria with hematite in porous media: Effects of ion valence and humic acid.

PubMed

Yang, Haiyan; Ge, Zhi; Wu, Dan; Tong, Meiping; Ni, Jinren

2016-01-01

This study investigated the influence of multiple colloids (hematite and humic acid) on the transport and deposition of bacteria (Escherichia coli) in packed porous media in both NaCl (5 mM) and CaCl2 (1 mM) solutions at pH 6. Due to the alteration of cell physicochemical properties, the presence of hematite and humic acid in cell suspensions significantly affected bacterial transport and deposition in quartz sand. Specifically, the presence of hematite (5 mg/L) decreased cell transport (increased cell deposition) in quartz sand in both NaCl and CaCl2 solutions, which could be attributed to the less negative overall zeta potentials of bacteria induced by the adsorption of positively charged hematite onto cell surfaces. The presence of a low concentration (0.1 mg/L) of humic acid in bacteria and hematite mixed suspensions reduced the adsorption of hematite onto cell surfaces, leading to increased cell transport in quartz sand in NaCl solutions, whereas, in CaCl2 solutions, the presence of 0.1 mg/L humic acid increased the formation of hematite-cell aggregates and thus decreased cell transport in quartz sand. When the concentration of humic acid was increased to 1 mg/L, enhanced cell transport was observed in both NaCl and CaCl2 solutions. The decreased adsorption of hematite onto cell surfaces as well as the competition of deposition sites on quartz sand with bacteria by the suspended humic acid contributed to the increased cell transport. Copyright © 2015 Elsevier Ltd. All rights reserved.
Interactions between natural organic matter and gold nanoparticles stabilized with different organic capping agents.

PubMed

Stankus, Dylan P; Lohse, Samuel E; Hutchison, James E; Nason, Jeffrey A

2011-04-15

The adsorption of natural organic matter (NOM) to the surfaces of natural colloids and engineered nanoparticles is known to strongly influence, and in some cases control, their surface properties and aggregation behavior. As a result, the understanding of nanoparticle fate, transport, and toxicity in natural systems must include a fundamental framework for predicting such behavior. Using a suite of gold nanoparticles (AuNPs) with different capping agents, the impact of surface functionality, presence of natural organic matter, and aqueous chemical composition (pH, ionic strength, and background electrolytes) on the surface charge and colloidal stability of each AuNP type was investigated. Capping agents used in this study were as follows: anionic (citrate and tannic acid), neutral (2,2,2-[mercaptoethoxy(ethoxy)]ethanol and polyvinylpyrrolidone), and cationic (mercaptopentyl(trimethylammonium)). Each AuNP type appeared to adsorb Suwannee River Humic Acid (SRHA) as evidenced by measurable decreases in zeta potential in the presence of 5 mg C L(-1) SRHA. It was found that 5 mg C L(-1) SRHA provided a stabilizing effect at low ionic strength and in the presence of only monovalent ions while elevated concentrations of divalent cations lead to enhanced aggregation. The colloidal stability of the NPs in the absence of NOM is a function of capping agent, pH, ionic strength, and electrolyte valence. In the presence of NOM at the conditions examined in this study, the capping agent is a less important determinant of stability, and the adsorption of NOM is a controlling factor.
The Effect of Stimulus Valence on Lexical Retrieval in Younger and Older Adults

ERIC Educational Resources Information Center

Blackett, Deena Schwen; Harnish, Stacy M.; Lundine, Jennifer P.; Zezinka, Alexandra; Healy, Eric W.

2017-01-01

Purpose: Although there is evidence that emotional valence of stimuli impacts lexical processes, there is limited work investigating its specific impact on lexical retrieval. The current study aimed to determine the degree to which emotional valence of pictured stimuli impacts naming latencies in healthy younger and older adults. Method: Eighteen…
On the Relationship between Value Orientation, Valences, and Academic Achievement

ERIC Educational Resources Information Center

Fries, Stefan; Schmid, Sebastian; Hofer, Manfred

2007-01-01

Value orientations are believed to influence learning in school. We assume that this influence is mediated by the valences attached to specific school subjects. In a questionnaire study (704 students from 36 classes) achievement and well-being value orientations were measured. Students also rated valence scales for the school subjects German and…
Values, Valences, and Course Enrollment: Testing the Role of Personal Values within an Expectancy-Valence Framework.

ERIC Educational Resources Information Center

Feather, N. T.

1988-01-01

The enrollment decisions of 444 (183 male, 260 female, and 1 unspecified) university students at Flinders University (South Australia) were investigated. Results shed light on gender differences in achievement patterns in mathematics and English and in relation to assumptions about relations between expectations and valences. (TJH)

Automatic vigilance for negative words in lexical decision and naming: comment on Larsen, Mercer, and Balota (2006).

PubMed

Estes, Zachary; Adelman, James S

2008-08-01

An automatic vigilance hypothesis states that humans preferentially attend to negative stimuli, and this attention to negative valence disrupts the processing of other stimulus properties. Thus, negative words typically elicit slower color naming, word naming, and lexical decisions than neutral or positive words. Larsen, Mercer, and Balota analyzed the stimuli from 32 published studies, and they found that word valence was confounded with several lexical factors known to affect word recognition. Indeed, with these lexical factors covaried out, Larsen et al. found no evidence of automatic vigilance. The authors report a more sensitive analysis of 1011 words. Results revealed a small but reliable valence effect, such that negative words (e.g., "shark") elicit slower lexical decisions and naming than positive words (e.g., "beach"). Moreover, the relation between valence and recognition was categorical rather than linear; the extremity of a word's valence did not affect its recognition. This valence effect was not attributable to word length, frequency, orthographic neighborhood size, contextual diversity, first phoneme, or arousal. Thus, the present analysis provides the most powerful demonstration of automatic vigilance to date.
Valence and arousal of emotional stimuli impact cognitive-motor performance in an oddball task.

PubMed

Lu, Yingzhi; Jaquess, Kyle J; Hatfield, Bradley D; Zhou, Chenglin; Li, Hong

2017-04-01

It is widely recognized that emotions impact an individual's ability to perform in a given task. However, little is known about how emotion impacts the various aspects of cognitive -motor performance. We recorded event-related potentials (ERPs) and chronometric responses from twenty-six participants while they performed a cognitive-motor oddball task in regard to four categories of emotional stimuli (high-arousing positive-valence, low-arousing positive-valence, high-arousing negative-valence, and low-arousing negative-valence) as "deviant" stimuli. Six chronometric responses (reaction time, press time, return time, choice time, movement time, and total time) and three ERP components (P2, N2 and late positive potential) were measured. Results indicated that reaction time was significantly affected by the presentation of emotional stimuli. Also observed was a negative relationship between N2 amplitude and elements of performance featuring reaction time in the low-arousing positive-valence condition. This study provides further evidence that emotional stimuli influence cognitive-motor performance in a specific manner. Copyright © 2017 Elsevier B.V. All rights reserved.
The acoustic correlates of valence depend on emotion family.

PubMed

Belyk, Michel; Brown, Steven

2014-07-01

The voice expresses a wide range of emotions through modulations of acoustic parameters such as frequency and amplitude. Although the acoustics of individual emotions are well understood, attempts to describe the acoustic correlates of broad emotional categories such as valence have yielded mixed results. In the present study, we analyzed the acoustics of emotional valence for different families of emotion. We divided emotional vocalizations into "motivational," "moral," and "aesthetic" families as defined by the OCC (Ortony, Clore, and Collins) model of emotion. Subjects viewed emotional scenarios and were cued to vocalize congruent exclamations in response to them, for example, "Yay!" and "Damn!". Positive valence was weakly associated with high-pitched and loud vocalizations. However, valence interacted with emotion family for both pitch and amplitude. A general acoustic code for valence does not hold across families of emotion, whereas family-specific codes provide a more accurate description of vocal emotions. These findings are consolidated into a set of "rules of expression" relating vocal dimensions to emotion dimensions. Copyright © 2014 The Voice Foundation. Published by Mosby, Inc. All rights reserved.
Brønsted acidity of protic ionic liquids: a modern ab initio valence bond theory perspective.

PubMed

Patil, Amol Baliram; Mahadeo Bhanage, Bhalchandra

2016-09-21

Room temperature ionic liquids (ILs), especially protic ionic liquids (PILs), are used in many areas of the chemical sciences. Ionicity, the extent of proton transfer, is a key parameter which determines many physicochemical properties and in turn the suitability of PILs for various applications. The spectrum of computational chemistry techniques applied to investigate ionic liquids includes classical molecular dynamics, Monte Carlo simulations, ab initio molecular dynamics, Density Functional Theory (DFT), CCSD(t) etc. At the other end of the spectrum is another computational approach: modern ab initio Valence Bond Theory (VBT). VBT differs from molecular orbital theory based methods in the expression of the molecular wave function. The molecular wave function in the valence bond ansatz is expressed as a linear combination of valence bond structures. These structures include covalent and ionic structures explicitly. Modern ab initio valence bond theory calculations of representative primary and tertiary ammonium protic ionic liquids indicate that modern ab initio valence bond theory can be employed to assess the acidity and ionicity of protic ionic liquids a priori.
Distinct Neural Circuits Subserve Interpersonal and Non-interpersonal Emotions

PubMed Central

Landa, Alla; Wang, Zhishun; Russell, James A.; Posner, Jonathan; Duan, Yunsuo; Kangarlu, Alayar; Huo, Yuankai; Fallon, Brian A.; Peterson, Bradley S.

2013-01-01

Emotions elicited by interpersonal versus non-interpersonal experiences have different effects on neurobiological functioning in both animals and humans. However, the extent to which the brain circuits underlying interpersonal and non-interpersonal emotions are distinct still remains unclear. The goal of our study was to assess whether different neural circuits are implicated in the processing of arousal and valence of interpersonal versus non-interpersonal emotions. During functional magnetic resonance imaging, participants imagined themselves in emotion-eliciting interpersonal or non-interpersonal situations and then rated the arousal and valence of emotions they experienced. We identified (a) separate neural circuits that are implicated in the arousal and valence dimensions of interpersonal versus non-interpersonal emotions, (b) circuits that are implicated in arousal and valence for both types of emotion, and (c) circuits that are responsive to the type of emotion, regardless of the valence or arousal level of the emotion. We found extensive recruitment of limbic (for arousal) and temporal-parietal (for valence) systems associated with processing of specifically interpersonal emotions compared to non-interpersonal ones. The neural bases of interpersonal and non-interpersonal emotions may, therefore, be largely distinct. PMID:24028312
Functional Role of Tyr12 in the Catalytic Activity of Novel Zeta-like Glutathione S-transferase from Acidovorax sp. KKS102.

PubMed

Shehu, Dayyabu; Alias, Zazali

2018-05-19

Glutathione S-transferases (GSTs) are a family of enzymes that function in the detoxification of variety of electrophilic substrates. In the present work, we report a novel zeta-like GST (designated as KKSG9) from the biphenyl/polychlorobiphenyl degrading organism Acidovorax sp. KKS102. KKSG9 possessed low sequence similarity but similar biochemical properties to zeta class GSTs. Functional analysis showed that the enzyme exhibits wider substrate specificity compared to most zeta class GSTs by reacting with 1-chloro-2,4-dinitrobenzene (CDNB), p-nitrobenzyl chloride (NBC), ethacrynic acid (EA), hydrogen peroxide, and cumene hydroperoxide. The enzyme also displayed dehalogenation function against dichloroacetate, permethrin, and dieldrin. The functional role of Tyr12 was also investigated by site-directed mutagenesis. The mutant (Y12C) displayed low catalytic activity and dehalogenation function against all the substrates when compared with the wild type. Kinetic analysis using NBC and GSH as substrates showed that the mutant (Y12C) displayed a higher affinity for NBC when compared with the wild type, however, no significant change in GSH affinity was observed. These findings suggest that the presence of tyrosine residue in the motif might represent an evolutionary trend toward improving the catalytic activity of the enzyme. The enzyme as well could be useful in the bioremediation of various types of organochlorine pollutants.
Constraints on Black Hole Spin in a Sample of Broad Iron Line AGN

NASA Technical Reports Server (NTRS)

Brenneman, Laura W.; Reynolds, Christopher S.

2008-01-01

We present a uniform X-ray spectral analysis of nine type-1 active galactic nuclei (AGN) that have been previously found to harbor relativistically broadened iron emission lines. We show that the need for relativistic effects in the spectrum is robust even when one includes continuum "reflection" from the accretion disk. We then proceed to model these relativistic effects in order to constrain the spin of the supermassive black holes in these AGN. Our principal assumption, supported by recent simulations of geometrically-thin accretion disks, is that no iron line emission (or any associated Xray reflection features) can originate from the disk within the innermost stable circular orbit. Under this assumption, which tends to lead to constraints in the form of lower limits on the spin parameter, we obtain non-trivial spin constraints on five AGN. The spin parameters of these sources range from moderate (a approximates 0.6) to high (a > 0.96). Our results allow, for the first time, an observational constraint on the spin distribution function of local supermassive black holes. Parameterizing this as a power-law in dimensionless spin parameter (f(a) varies as absolute value of (a) exp zeta), we present the probability distribution for zeta implied by our results. Our results suggest 90% and 95% confidence limits of zeta > -0.09 and zeta > -0.3 respectively.
Coagulation-flocculation mechanisms in wastewater treatment plants through zeta potential measurements.

PubMed

López-Maldonado, E A; Oropeza-Guzman, M T; Jurado-Baizaval, J L; Ochoa-Terán, A

2014-08-30

Based on the polyelectrolyte-contaminant physical and chemical interactions at the molecular level, this article analyzed and discussed the coagulation-flocculation and chemical precipitation processes in order to improve their efficiency. Bench experiments indicate that water pH, polyelectrolyte (PE) dosing strategy and cationic polyelectrolyte addition are key parameters for the stability of metal-PE complexes. The coagulation-flocculation mechanism is proposed based on zeta potential (ζ) measurement as the criteria to define the electrostatic interaction between pollutants and coagulant-flocculant agents. Polyelectrolyte and wastewater dispersions are exposed to an electrophoretic effect to determine ζ. Finally, zeta potential values are compared at pH 9, suggesting the optimum coagulant dose at 162mg/L polydadmac and 67mg/L of flocculant, since a complete removal of TSS and turbidity is achieved. Based on the concentration of heavy metals (0.931mg/L Sn, 0.7mg/L Fe and 0.63mg/L Pb), treated water met the Mexican maximum permissible limits. In addition, the treated water has 45mg O2/L chemical oxygen demand (COD) and 45mg C/L total organic carbon (TOC). The coagulation-flocculation mechanism is proposed taking into account both: zeta potential (ζ)-pH measurement and chemical affinity, as the criteria to define the electrostatic and chemical interaction between pollutants and polyelectrolytes. Copyright © 2014 Elsevier B.V. All rights reserved.
A complete active space valence bond method with nonorthogonal orbitals

NASA Astrophysics Data System (ADS)

Hirao, Kimihiko; Nakano, Haruyuki; Nakayama, Kenichi

1997-12-01

A complete active space self-consistent field (SCF) wave function is transformed into a valence bond type representation built from nonorthogonal orbitals, each strongly localized on a single atom. Nonorthogonal complete active space SCF orbitals are constructed by Ruedenberg's projected localization procedure so that they have maximal overlaps with the corresponding minimum basis set of atomic orbitals of the free-atoms. The valence bond structures which are composed of such nonorthogonal quasiatomic orbitals constitute the wave function closest to the concept of the oldest and most simple valence bond method. The method is applied to benzene, butadiene, hydrogen, and methane molecules and compared to the previously proposed complete active space valence bond approach with orthogonal orbitals. The results demonstrate the validity of the method as a powerful tool for describing the electronic structure of various molecules.
Sex, Age, and Emotional Valence: Revealing Possible Biases in the 'Reading the Mind in the Eyes' Task.

PubMed

Kynast, Jana; Schroeter, Matthias L

2018-01-01

The 'Reading the Mind in the Eyes' test (RMET) assesses a specific socio-cognitive ability, i.e., the ability to identify mental states from gaze. The development of this ability in a lifespan perspective is of special interest. Whereas former investigations were limited mainly to childhood and adolescence, the focus has been shifted towards aging, and psychiatric and neurodegenerative diseases recently. Although the RMET is frequently applied in developmental psychology and clinical settings, stimulus characteristics have never been investigated with respect to potential effects on test performance. Here, we analyzed the RMET stimulus set with a special focus on interrelations between sex, age and emotional valence. Forty-three persons rated age and emotional valence of the RMET picture set. Differences in emotional valence and age ratings between male and female items were analyzed. The linear relation between age and emotional valence was tested over all items, and separately for male and female items. Male items were rated older and more negative than female stimuli. Regarding male RMET items, age predicted emotional valence: older age was associated with negative emotions. Contrary, age and valence were not linearly related in female pictures. All ratings were independent of rater characteristics. Our results demonstrate a strong confound between sex, age, and emotional valence in the RMET. Male items presented a greater variability in age ratings compared to female items. Age and emotional valence were negatively associated among male items, but no significant association was found among female stimuli. As personal attributes impact social information processing, our results may add a new perspective on the interpretation of previous findings on interindividual differences in RMET accuracy, particularly in the field of developmental psychology, and age-associated neuropsychiatric diseases. A revision of the RMET might be afforded to overcome confounds identified here.
Sex, Age, and Emotional Valence: Revealing Possible Biases in the ‘Reading the Mind in the Eyes’ Task

PubMed Central

Kynast, Jana; Schroeter, Matthias L.

2018-01-01

The ‘Reading the Mind in the Eyes’ test (RMET) assesses a specific socio-cognitive ability, i.e., the ability to identify mental states from gaze. The development of this ability in a lifespan perspective is of special interest. Whereas former investigations were limited mainly to childhood and adolescence, the focus has been shifted towards aging, and psychiatric and neurodegenerative diseases recently. Although the RMET is frequently applied in developmental psychology and clinical settings, stimulus characteristics have never been investigated with respect to potential effects on test performance. Here, we analyzed the RMET stimulus set with a special focus on interrelations between sex, age and emotional valence. Forty-three persons rated age and emotional valence of the RMET picture set. Differences in emotional valence and age ratings between male and female items were analyzed. The linear relation between age and emotional valence was tested over all items, and separately for male and female items. Male items were rated older and more negative than female stimuli. Regarding male RMET items, age predicted emotional valence: older age was associated with negative emotions. Contrary, age and valence were not linearly related in female pictures. All ratings were independent of rater characteristics. Our results demonstrate a strong confound between sex, age, and emotional valence in the RMET. Male items presented a greater variability in age ratings compared to female items. Age and emotional valence were negatively associated among male items, but no significant association was found among female stimuli. As personal attributes impact social information processing, our results may add a new perspective on the interpretation of previous findings on interindividual differences in RMET accuracy, particularly in the field of developmental psychology, and age-associated neuropsychiatric diseases. A revision of the RMET might be afforded to overcome confounds identified here. PMID:29755385
Titanium, vanadium and chromium valences in silicates of ungrouped achondrite NWA 7325 and ureilite Y-791538 record highly-reduced origins

NASA Astrophysics Data System (ADS)

Sutton, S. R.; Goodrich, C. A.; Wirick, S.

2017-05-01

Titanium, Cr, and V valences were determined by applying micro-X-ray Absorption Near Edge Structure (micro-XANES) spectroscopy methods to individual grains of olivine and pyroxene in the ungrouped achondrite NWA 7325 and ureilite Y-791538, as well as to plagioclase in NWA 7325. The advantages of applying multiple, multivalent-element-based oxybarometers to individual grains are (1) the ability to cover the entire oxygen fugacity (fO2) range encountered in nature, and (2) the increased reliability from consistent results for semi-independent fO2 proxies. fO2 values were inferred from each mineral valence determination after correcting with available laboratory-experiment-derived, valence-specific partition coefficients to obtain melt valences and then calibrating with the fO2 values of the relevant equal species proportions points suggested for igneous (primarily basaltic) systems. The resulting olivine and pyroxene valences are highly reduced and similar in the two meteorites with substantial fractions of Cr2+, Ti3+ and V2+. The exception is Cr in NWA 7325 pyroxene which is much more oxidized than the Cr in its olivine. Chromium and Ti in plagioclase in NWA 7325 is relatively oxidized (V valence not determined). The anomalously oxidized Cr in NWA 7325 pyroxene may be due to a secondary reheating event that oxidized Cr in the pyroxene without similarly oxidizing Ti and V. Such a separation of the redox couples may be an effect of re-equilibration kinetics, where the valence of Cr would be more rapidly modified. These valences yielded similar mean fO2s for the two meteorites; IW-3.1 ± 0.2 for NWA 7325 and IW-2.8 ± 0.2 for Y-791538, consistent with an origin of NWA 7325 in either Mercury or an asteroid that experienced redox conditions similar to those on the ureilite parent body.
Titanium, vanadium and chromium valences in silicates of ungrouped achondrite NWA 7325 and ureilite Y-791538 record highly-reduced origins

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

Sutton, S. R.; Goodrich, C. A.; Wirick, S.

Titanium, Cr, and V valences were determined by applying micro-X-ray Absorption Near Edge Structure (micro-XANES) spectroscopy methods to individual grains of olivine and pyroxene in the ungrouped achondrite NWA 7325 and ureilite Y-791538, as well as to plagioclase in NWA 7325. The advantages of applying multiple, multivalent-element-based oxybarometers to individual grains are (1) the ability to cover the entire oxygen fugacity (fO2) range encountered in nature, and (2) the increased reliability from consistent results for semi-independent fO2 proxies. fO2 values were inferred from each mineral valence determination after correcting with available laboratory-experiment-derived, valence-specific partition coefficients to obtain melt valences andmore » then calibrating with the fO2 values of the relevant equal species proportions points suggested for igneous (primarily basaltic) systems. The resulting olivine and pyroxene valences are highly reduced and similar in the two meteorites with substantial fractions of Cr2+, Ti3+ and V2+. The exception is Cr in NWA 7325 pyroxene which is much more oxidized than the Cr in its olivine. Chromium and Ti in plagioclase in NWA 7325 is relatively oxidized (V valence not determined). The anomalously oxidized Cr in NWA 7325 pyroxene may be due to a secondary reheating event that oxidized Cr in the pyroxene without similarly oxidizing Ti and V. Such a separation of the redox couples may be an effect of re-equilibration kinetics, where the valence of Cr would be more rapidly modified. These valences yielded similar mean fO2s for the two meteorites; IW-3.1 ± 0.2 for NWA 7325 and IW-2.8 ± 0.2 for Y-791538, consistent with an origin of NWA 7325 in either Mercury or an asteroid that experienced redox conditions similar to those on the ureilite parent body.« less
Risk management and statistical multivariate analysis approach for design and optimization of satranidazole nanoparticles.

PubMed

Dhat, Shalaka; Pund, Swati; Kokare, Chandrakant; Sharma, Pankaj; Shrivastava, Birendra

2017-01-01

Rapidly evolving technical and regulatory landscapes of the pharmaceutical product development necessitates risk management with application of multivariate analysis using Process Analytical Technology (PAT) and Quality by Design (QbD). Poorly soluble, high dose drug, Satranidazole was optimally nanoprecipitated (SAT-NP) employing principles of Formulation by Design (FbD). The potential risk factors influencing the critical quality attributes (CQA) of SAT-NP were identified using Ishikawa diagram. Plackett-Burman screening design was adopted to screen the eight critical formulation and process parameters influencing the mean particle size, zeta potential and dissolution efficiency at 30min in pH7.4 dissolution medium. Pareto charts (individual and cumulative) revealed three most critical factors influencing CQA of SAT-NP viz. aqueous stabilizer (Polyvinyl alcohol), release modifier (Eudragit® S 100) and volume of aqueous phase. The levels of these three critical formulation attributes were optimized by FbD within established design space to minimize mean particle size, poly dispersity index, and maximize encapsulation efficiency of SAT-NP. Lenth's and Bayesian analysis along with mathematical modeling of results allowed identification and quantification of critical formulation attributes significantly active on the selected CQAs. The optimized SAT-NP exhibited mean particle size; 216nm, polydispersity index; 0.250, zeta potential; -3.75mV and encapsulation efficiency; 78.3%. The product was lyophilized using mannitol to form readily redispersible powder. X-ray diffraction analysis confirmed the conversion of crystalline SAT to amorphous form. In vitro release of SAT-NP in gradually pH changing media showed <20% release in pH1.2 and pH6.8 in 5h, while, complete release (>95%) in pH7.4 in next 3h, indicative of burst release after a lag time. This investigation demonstrated effective application of risk management and QbD tools in developing site-specific release SAT-NP by nanoprecipitation. Copyright © 2016 Elsevier B.V. All rights reserved.
Breakdown of ionic character of molecular alkali bromides in inner-valence photoionization

NASA Astrophysics Data System (ADS)

Karpenko, A.; Iablonskyi, D.; Urpelainen, S.; Kettunen, J. A.; Cao, W.; Huttula, M.; Aksela, H.

2014-05-01

The inner-valence region of alkali bromide XBr (X=Li, Na, K, Rb) vapours has been studied experimentally by means of synchrotron radiation excited photoelectron spectroscopy. Experimental spectra were analyzed by comparing them with available theoretical results and previous experiments. Ionic character of alkali bromides is seen to change in the inner-valence region with increasing atomic number of the alkali atom. A mechanism involving mixing between Br 4s and Rb 4p orbitals has been suggested to account for the fine structure observed in inner-valence ionization region of RbBr.
Investigating emotional contagion in dogs (Canis familiaris) to emotional sounds of humans and conspecifics.

PubMed

Huber, Annika; Barber, Anjuli L A; Faragó, Tamás; Müller, Corsin A; Huber, Ludwig

2017-07-01

Emotional contagion, a basic component of empathy defined as emotional state-matching between individuals, has previously been shown in dogs even upon solely hearing negative emotional sounds of humans or conspecifics. The current investigation further sheds light on this phenomenon by directly contrasting emotional sounds of both species (humans and dogs) as well as opposed valences (positive and negative) to gain insights into intra- and interspecies empathy as well as differences between positively and negatively valenced sounds. Different types of sounds were played back to measure the influence of three dimensions on the dogs' behavioural response. We found that dogs behaved differently after hearing non-emotional sounds of their environment compared to emotional sounds of humans and conspecifics ("Emotionality" dimension), but the subjects responded similarly to human and conspecific sounds ("Species" dimension). However, dogs expressed more freezing behaviour after conspecific sounds, independent of the valence. Comparing positively with negatively valenced sounds of both species ("Valence" dimension), we found that, independent of the species from which the sound originated, dogs expressed more behavioural indicators for arousal and negatively valenced states after hearing negative emotional sounds. This response pattern indicates emotional state-matching or emotional contagion for negative sounds of humans and conspecifics. It furthermore indicates that dogs recognized the different valences of the emotional sounds, which is a promising finding for future studies on empathy for positive emotional states in dogs.
The power of emotional valence-from cognitive to affective processes in reading.

PubMed

Altmann, Ulrike; Bohrn, Isabel C; Lubrich, Oliver; Menninghaus, Winfried; Jacobs, Arthur M

2012-01-01

The comprehension of stories requires the reader to imagine the cognitive and affective states of the characters. The content of many stories is unpleasant, as they often deal with conflict, disturbance or crisis. Nevertheless, unpleasant stories can be liked and enjoyed. In this fMRI study, we used a parametric approach to examine (1) the capacity of increasing negative valence of story contents to activate the mentalizing network (cognitive and affective theory of mind, ToM), and (2) the neural substrate of liking negatively valenced narratives. A set of 80 short narratives was compiled, ranging from neutral to negative emotional valence. For each story mean rating values on valence and liking were obtained from a group of 32 participants in a prestudy, and later included as parametric regressors in the fMRI analysis. Another group of 24 participants passively read the narratives in a three Tesla MRI scanner. Results revealed a stronger engagement of affective ToM-related brain areas with increasingly negative story valence. Stories that were unpleasant, but simultaneously liked, engaged the medial prefrontal cortex (mPFC), which might reflect the moral exploration of the story content. Further analysis showed that the more the mPFC becomes engaged during the reading of negatively valenced stories, the more coactivation can be observed in other brain areas related to the neural processing of affective ToM and empathy.
Employees' responses to an organizational merger: Intraindividual change in organizational identification, attachment, and turnover.

PubMed

Sung, Wookje; Woehler, Meredith L; Fagan, Jesse M; Grosser, Travis J; Floyd, Theresa M; Labianca, Giuseppe Joe

2017-06-01

The authors used pre-post merger data from 599 employees experiencing a major corporate merger to compare 3 conceptual models based on the logic of social identity theory (SIT) and exchange theory to explain employees' merger responses. At issue is how perceived change in employees' own jobs and roles (i.e., personal valence) and perceived change in their organization's status and merger appropriateness (i.e., organizational valence) affect their changing organizational identification, attachment attitudes, and voluntary turnover. The first model suggests that organizational identification and organizational attachment develop independently and have distinct antecedents. The second model posits that organizational identification mediates the relationships between change in organizational and personal valence and change in attachment and turnover. The third model posits that change in personal valence moderates the relationship between changes in organizational valence and in organizational identification and attachment. Using latent difference score (LDS) modeling in an SEM framework and survival analysis, the results suggest an emergent fourth model that integrates the first and second models: Although change in organizational identification during the merger mediates the relationship between change in personal status and organizational valence and change in attachment, there is a direct and unmediated relationship between change in personal valence and attachment. This integrated model has implications for M&A theory and practice. (PsycINFO Database Record (c) 2017 APA, all rights reserved).
Determining the Oxygen Fugacity of Lunar Pyroclastic Glasses Using Vanadium Valence - An Update

NASA Technical Reports Server (NTRS)

Karner, J. M.; Sutton, S. R.; Papike, J. J.; Shearer, C. K.; Jones, J. H.; Newville, M.

2004-01-01

We have been developing an oxygen barometer based on the valence state of V (V(2+), V(3+), V(4+), and V(5+)) in solar system basaltic glasses. The V valence is determined by synchrotron micro x-ray absorption near edge structure (XANES), which uses x-ray absorption associated with core-electronic transitions (absorption edges) to reveal a pre-edge peak whose intensity is directly proportional to the valence state of an element. XANES has advantages over other techniques that determine elemental valence because measurements can be made non-destructively in air and in situ on conventional thin sections at a micrometer spatial resolution with elemental sensitivities of approx. 100 ppm. Recent results show that fO2 values derived from the V valence technique are consistent with fO2 estimates determined by other techniques for materials that crystallized above the IW buffer. The fO2's determined by V valence (IW-3.8 to IW-2) for the lunar pyroclastic glasses, however, are on the order of 1 to 2.8 log units below previous estimates. Furthermore, the calculated fO2's decrease with increasing TiO2 contents from the A17 VLT to the A17 Orange glasses. In order to investigate these results further, we have synthesized lunar green and orange glasses and examined them by XANES.
The zeta potential of extended dielectrics and conductors in terms of streaming potential and streaming current measurements.

PubMed

Gallardo-Moreno, Amparo M; Vadillo-Rodríguez, Virginia; Perera-Núñez, Julia; Bruque, José M; González-Martín, M Luisa

2012-07-21

The electrical characterization of surfaces in terms of the zeta potential (ζ), i.e., the electric potential contributing to the interaction potential energy, is of major importance in a wide variety of industrial, environmental and biomedical applications in which the integration of any material with the surrounding media is initially mediated by the physico-chemical properties of its outer surface layer. Among the different existing electrokinetic techniques for obtaining ζ, streaming potential (V(str)) and streaming current (I(str)) are important when dealing with flat-extended samples. Mostly dielectric materials have been subjected to this type of analysis and only a few papers can be found in the literature regarding the electrokinetic characterization of conducting materials. Nevertheless, a standardized procedure is typically followed to calculate ζ from the measured data and, importantly, it is shown in this paper that such a procedure leads to incorrect zeta potential values when conductors are investigated. In any case, assessment of a reliable numerical value of ζ requires careful consideration of the origin of the input data and the characteristics of the experimental setup. In particular, it is shown that the cell resistance (R) typically obtained through a.c. signals (R(a.c.)), and needed for the calculations of ζ, always underestimates the zeta potential values obtained from streaming potential measurements. The consideration of R(EK), derived from the V(str)/I(str) ratio, leads to reliable values of ζ when dielectrics are investigated. For metals, the contribution of conductivity of the sample to the cell resistance provokes an underestimation of R(EK), which leads to unrealistic values of ζ. For the electrical characterization of conducting samples I(str) measurements constitute a better choice. In general, the findings gathered in this manuscript establish a measurement protocol for obtaining reliable zeta potentials of dielectrics and conductors based on the intrinsic electrokinetic behavior of both types of samples.

Valence-Bond Concepts in Coordination Chemistry and the Nature of Metal-Metal Bonds.

ERIC Educational Resources Information Center

Pauling, Linus; Herman, Zelek S.

1984-01-01

Discusses the valence-bond method, applying it to some coordination compounds of metals, especially those involving metal-metal bonds. Suggests that transition metals can form as many as nine covalent bonds, permitting valence-theory to be extended to transition metal compounds in a more effective way than has been possible before. (JN)
Identifying Facial Emotions: Valence Specific Effects and an Exploration of the Effects of Viewer Gender

ERIC Educational Resources Information Center

Jansari, Ashok; Rodway, Paul; Goncalves, Salvador

2011-01-01

The valence hypothesis suggests that the right hemisphere is specialised for negative emotions and the left hemisphere is specialised for positive emotions (Silberman & Weingartner, 1986). It is unclear to what extent valence-specific effects in facial emotion perception depend upon the gender of the perceiver. To explore this question 46…
Teaching Valence Shell Electron Pair Repulsion (VSEPR) Theory

ERIC Educational Resources Information Center

Talbot, Christopher; Neo, Choo Tong

2013-01-01

This "Science Note" looks at the way that the shapes of simple molecules can be explained in terms of the number of electron pairs in the valence shell of the central atom. This theory is formally known as valence shell electron pair repulsion (VSEPR) theory. The article explains the preferred shape of chlorine trifluoride (ClF3),…
Memory effects of sleep, emotional valence, arousal and novelty in children.

PubMed

Vermeulen, Marije C M; van der Heijden, Kristiaan B; Benjamins, Jeroen S; Swaab, Hanna; van Someren, Eus J W

2017-06-01

Effectiveness of memory consolidation is determined by multiple factors, including sleep after learning, emotional valence, arousal and novelty. Few studies investigated how the effect of sleep compares with (and interacts with) these other factors, of which virtually none are in children. The present study did so by repeated assessment of declarative memory in 386 children (45% boys) aged 9-11 years through an online word-pair task. Children were randomly assigned to either a morning or evening learning session of 30 unrelated word-pairs with positive, neutral or negative valenced cues and neutral targets. After immediately assessing baseline recognition, delayed recognition was recorded either 12 or 24 h later, resulting in four different assessment schedules. One week later, the procedure was repeated with exactly the same word-pairs to evaluate whether effects differed for relearning versus original novel learning. Mixed-effect logistic regression models were used to evaluate how the probability of correct recognition was affected by sleep, valence, arousal, novelty and their interactions. Both immediate and delayed recognition were worse for pairs with negatively valenced or less arousing cue words. Relearning improved immediate and delayed word-pair recognition. In contrast to these effects, sleep did not affect recognition, nor did sleep moderate the effects of arousal, valence and novelty. The findings suggest a robust inclination of children to specifically forget the pairing of words to negatively valenced cue words. In agreement with a recent meta-analysis, children seem to depend less on sleep for the consolidation of information than has been reported for adults, irrespective of the emotional valence, arousal and novelty of word-pairs. © 2017 European Sleep Research Society.
Electroencephalography Based Analysis of Working Memory Load and Affective Valence in an N-back Task with Emotional Stimuli

PubMed Central

Grissmann, Sebastian; Faller, Josef; Scharinger, Christian; Spüler, Martin; Gerjets, Peter

2017-01-01

Most brain-based measures of the electroencephalogram (EEG) are used in highly controlled lab environments and only focus on narrow mental states (e.g., working memory load). However, we assume that outside the lab complex multidimensional mental states are evoked. This could potentially create interference between EEG signatures used for identification of specific mental states. In this study, we aimed to investigate more realistic conditions and therefore induced a combination of working memory load and affective valence to reveal potential interferences in EEG measures. To induce changes in working memory load and affective valence, we used a paradigm which combines an N-back task (for working memory load manipulation) with a standard method to induce affect (affective pictures taken from the International Affective Picture System (IAPS) database). Subjective ratings showed that the experimental task was successful in inducing working memory load as well as affective valence. Additionally, performance measures were analyzed and it was found that behavioral performance decreased with increasing workload as well as negative valence, showing that affective valence can have an effect on cognitive processing. These findings are supported by changes in frontal theta and parietal alpha power, parameters used for measuring of working memory load in the EEG. However, these EEG measures are influenced by the negative valence condition as well and thereby show that detection of working memory load is sensitive to affective contexts. Unexpectedly, we did not find any effects for EEG measures typically used for affective valence detection (Frontal Alpha Asymmetry (FAA)). Therefore we assume that the FAA measure might not be usable if cognitive workload is induced simultaneously. We conclude that future studies should account for potential context-specifity of EEG measures. PMID:29311875
A database of body-only computer-generated pictures of women for body-image studies: Development and preliminary validation.

PubMed

Moussally, Joanna M; Rochat, Lucien; Posada, Andrés; Van der Linden, Martial

2017-02-01

The body-shape-related stimuli used in most body-image studies have several limitations (e.g., a lack of pilot validation procedures and the use of non-body-shape-related control/neutral stimuli). We therefore developed a database of 61 computer-generated body-only pictures of women, wherein bodies were methodically manipulated in terms of fatness versus thinness. Eighty-two young women assessed the pictures' attractiveness, beauty, harmony (valence ratings), and body shape (assessed on a thinness/fatness axis), providing normative data for valence and body shape ratings. First, stimuli manipulated for fatness versus thinness conveyed comparable emotional intensities regarding the valence and body shape ratings. Second, different subcategories of stimuli were obtained on the basis of variations in body shape and valence judgments. Fat and thin bodies were distributed into several subcategories depending on their valence ratings, and a subcategory containing stimuli that were neutral in terms of valence and body shape was identified. Interestingly, at a descriptive level, the thinness/fatness manipulations of the bodies were in a curvilinear relationship with the valence ratings: Thin bodies were not only judged as positive, but also as negative when their estimated body mass indexes (BMIs) decreased too much. Finally, convergent validity was assessed by exploring the impacts of body-image-related variables (BMI, thin-ideal internalization, and body dissatisfaction) on participants' judgments of the bodies. Valence judgments, but not body shape judgments, were influenced by the participants' levels of thin-ideal internalization and body dissatisfaction. Participants' BMIs did not significantly influence their judgments. Given these findings, this database contains relevant material that can be used in various fields, primarily for studies of body-image disturbance or eating disorders.
The role of the mother-child relationship for anxiety disorders and depression: results from a prospective-longitudinal study in adolescents and their mothers.

PubMed

Asselmann, Eva; Wittchen, Hans-Ulrich; Lieb, Roselind; Beesdo-Baum, Katja

2015-04-01

This study aims to examine whether (a) low child valence (emotional connectedness) within the mother-child relationship increases the risk for offspring depression, (b) low child potency (individual autonomy) increases the risk for offspring anxiety, and (c) maternal psychopathology pronounces these associations. We used data from a prospective-longitudinal study of adolescents (aged 14-17 at baseline) and their mothers (N = 1,015 mother-child dyads). Anxiety disorders and depression were assessed repeatedly over 10 years in adolescents (T0, T1, T2, T3) and their mothers (T1, T3) using the DSM-IV/M-CIDI. Valence and potency were assessed in mothers (T1) with the Subjective Family Image Questionnaire. Odds ratios (OR) from logistic regression were used to estimate associations between low child valence/potency and offspring psychopathology (cumulated lifetime incidences; adjusted for sex and age). In separate models (low valence or low potency as predictor), low child valence predicted offspring depression only (OR = 1.26 per SD), while low child potency predicted offspring anxiety (OR = 1.24) and depression (OR = 1.24). In multiple models (low valence and low potency as predictors), low child valence predicted offspring depression only (OR = 1.19), while low child potency predicted offspring anxiety only (OR = 1.22). Low child potency interacted with maternal anxiety on predicting offspring depression (OR = 1.49), i.e. low child potency predicted offspring depression only in the presence of maternal anxiety (OR = 1.33). These findings suggest that low child valence increases the risk for offspring depression, while low child potency increases the risk for offspring anxiety and depression and interacts with maternal psychopathology on predicting offspring depression.
Electroencephalography Based Analysis of Working Memory Load and Affective Valence in an N-back Task with Emotional Stimuli.

PubMed

Grissmann, Sebastian; Faller, Josef; Scharinger, Christian; Spüler, Martin; Gerjets, Peter

2017-01-01

Most brain-based measures of the electroencephalogram (EEG) are used in highly controlled lab environments and only focus on narrow mental states (e.g., working memory load). However, we assume that outside the lab complex multidimensional mental states are evoked. This could potentially create interference between EEG signatures used for identification of specific mental states. In this study, we aimed to investigate more realistic conditions and therefore induced a combination of working memory load and affective valence to reveal potential interferences in EEG measures. To induce changes in working memory load and affective valence, we used a paradigm which combines an N-back task (for working memory load manipulation) with a standard method to induce affect (affective pictures taken from the International Affective Picture System (IAPS) database). Subjective ratings showed that the experimental task was successful in inducing working memory load as well as affective valence. Additionally, performance measures were analyzed and it was found that behavioral performance decreased with increasing workload as well as negative valence, showing that affective valence can have an effect on cognitive processing. These findings are supported by changes in frontal theta and parietal alpha power, parameters used for measuring of working memory load in the EEG. However, these EEG measures are influenced by the negative valence condition as well and thereby show that detection of working memory load is sensitive to affective contexts. Unexpectedly, we did not find any effects for EEG measures typically used for affective valence detection (Frontal Alpha Asymmetry (FAA)). Therefore we assume that the FAA measure might not be usable if cognitive workload is induced simultaneously. We conclude that future studies should account for potential context-specifity of EEG measures.
Freeze or flee? Negative stimuli elicit selective responding.

PubMed

Estes, Zachary; Verges, Michelle

2008-08-01

Humans preferentially attend to negative stimuli. A consequence of this automatic vigilance for negative valence is that negative words elicit slower responses than neutral or positive words on a host of cognitive tasks. Some researchers have speculated that negative stimuli elicit a general suppression of motor activity, akin to the freezing response exhibited by animals under threat. Alternatively, we suggest that negative stimuli only elicit slowed responding on tasks for which stimulus valence is irrelevant for responding. To discriminate between these motor suppression and response-relevance hypotheses, we elicited both lexical decisions and valence judgments of negative words and positive words. Relative to positive words (e.g., kitten), negative words (e.g., spider) elicited slower lexical decisions but faster valence judgments. Results therefore indicate that negative stimuli do not cause a generalized motor suppression. Rather, negative stimuli elicit selective responding, with faster responses on tasks for which stimulus valence is response-relevant.
Auger electron emission initiated by the creation of valence-band holes in graphene by positron annihilation.

PubMed

Chirayath, V A; Callewaert, V; Fairchild, A J; Chrysler, M D; Gladen, R W; Mcdonald, A D; Imam, S K; Shastry, K; Koymen, A R; Saniz, R; Barbiellini, B; Rajeshwar, K; Partoens, B; Weiss, A H

2017-07-13

Auger processes involving the filling of holes in the valence band are thought to make important contributions to the low-energy photoelectron and secondary electron spectrum from many solids. However, measurements of the energy spectrum and the efficiency with which electrons are emitted in this process remain elusive due to a large unrelated background resulting from primary beam-induced secondary electrons. Here, we report the direct measurement of the energy spectra of electrons emitted from single layer graphene as a result of the decay of deep holes in the valence band. These measurements were made possible by eliminating competing backgrounds by employing low-energy positrons (<1.25 eV) to create valence-band holes by annihilation. Our experimental results, supported by theoretical calculations, indicate that between 80 and 100% of the deep valence-band holes in graphene are filled via an Auger transition.
Molybdenum Valence in Basaltic Silicate Melts: Effects of Temperature and Pressure

NASA Technical Reports Server (NTRS)

Danielson, L. R.; Righter, K.; Newville, M.; Sutton, S.; Choi, Y.; Pando, K.

2011-01-01

The metal-silicate partitioning behavior of molybdenum has been used as a test for equilibrium core formation hypotheses [for example, 1-6]. However, current models that apply experimental data to equilibrium core-mantle differentiation infer the oxidation state of molybdenum from solubility data or from multivariable coefficients from metal-silicate partitioning data [1,3,7]. Molybdenum, a multi-valent element with a valence transition near the fO2 of interest for core formation (approx.IW-2) will be sensitive to changes in fO2 of the system and silicate melt structure. In a silicate melt, Mo can occur in either 4+ or 6+ valence state, and Mo(6+) can be either octahedrally or tetrahedrally coordinated. Here we present X-ray absorption near edge structure (XANES) measurements of Mo valence in basaltic run products at a range of P, T, and fO2 and further quantify the valence transition of Mo.
Dissociating motivational direction and affective valence: specific emotions alter central motor processes.

PubMed

Coombes, Stephen A; Cauraugh, James H; Janelle, Christopher M

2007-11-01

We aimed to clarify the relation between affective valence and motivational direction by specifying how central and peripheral components of extension movements are altered according to specific unpleasant affective states. As predicted, premotor reaction time was quicker for extension movements initiated during exposure to attack than for extension movements initiated during exposure to all other valence categories (mutilation, erotic couples, opposite-sex nudes, neutral humans, household objects, blank). Exposure to erotic couples and mutilations yielded greater peak force than exposure to images of attack, neutral humans, and household objects. Finally, motor reaction time and peak electromyographic amplitude were not altered by valence. These findings indicate that unpleasant states do not unilaterally prime withdrawal movements, and that the quick execution of extension movements during exposure to threatening images is due to rapid premotor, rather than motor, reaction time. Collectively, our findings support the call for dissociating motivational direction and affective valence.
Auger electron emission initiated by the creation of valence-band holes in graphene by positron annihilation

PubMed Central

Chirayath, V. A.; Callewaert, V.; Fairchild, A. J.; Chrysler, M. D.; Gladen, R. W.; Mcdonald, A. D.; Imam, S. K.; Shastry, K.; Koymen, A. R.; Saniz, R.; Barbiellini, B.; Rajeshwar, K.; Partoens, B.; Weiss, A. H.

2017-01-01

Auger processes involving the filling of holes in the valence band are thought to make important contributions to the low-energy photoelectron and secondary electron spectrum from many solids. However, measurements of the energy spectrum and the efficiency with which electrons are emitted in this process remain elusive due to a large unrelated background resulting from primary beam-induced secondary electrons. Here, we report the direct measurement of the energy spectra of electrons emitted from single layer graphene as a result of the decay of deep holes in the valence band. These measurements were made possible by eliminating competing backgrounds by employing low-energy positrons (<1.25 eV) to create valence-band holes by annihilation. Our experimental results, supported by theoretical calculations, indicate that between 80 and 100% of the deep valence-band holes in graphene are filled via an Auger transition. PMID:28703225
Cultural relativity in perceiving emotion from vocalizations.

PubMed

Gendron, Maria; Roberson, Debi; van der Vyver, Jacoba Marieta; Barrett, Lisa Feldman

2014-04-01

A central question in the study of human behavior is whether certain emotions, such as anger, fear, and sadness, are recognized in nonverbal cues across cultures. We predicted and found that in a concept-free experimental task, participants from an isolated cultural context (the Himba ethnic group from northwestern Namibia) did not freely label Western vocalizations with expected emotion terms. Responses indicate that Himba participants perceived more basic affective properties of valence (positivity or negativity) and to some extent arousal (high or low activation). In a second, concept-embedded task, we manipulated whether the target and foil on a given trial matched in both valence and arousal, neither valence nor arousal, valence only, or arousal only. Himba participants achieved above-chance accuracy only when foils differed from targets in valence only. Our results indicate that the voice can reliably convey affective meaning across cultures, but that perceptions of emotion from the voice are culturally variable.
Zeta functions on tori using contour integration

NASA Astrophysics Data System (ADS)

Elizalde, Emilio; Kirsten, Klaus; Robles, Nicolas; Williams, Floyd

2015-12-01

A new, seemingly useful presentation of zeta functions on complex tori is derived by using contour integration. It is shown to agree with the one obtained by using the Chowla-Selberg series formula, for which an alternative proof is thereby given. In addition, a new proof of the functional determinant on the torus results, which does not use the Kronecker first limit formula nor the functional equation of the non-holomorphic Eisenstein series. As a bonus, several identities involving the Dedekind eta function are obtained as well.
X-ray absorption spectroscopy study of parent misfit-layered cobalt oxide [Sr₂O₂] q}CoO₂

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

Chou, Ta-Lei; Chan, Ting-Shan; Chen, Jin-Ming

Here we present a comprehensive X-ray absorption spectroscopy study carried out at Co-L₂,₃, Co-K, O-K and Sr-K edges for the parent misfit-layered cobalt oxide phase [Sr₂O₂]₀.₅₂CoO₂; comparison is made to another misfit-layered oxide [CoCa₂O₃]₀.₆₂CoO₂ and the perovskite oxide LaCoO₃. A high-quality sample of [Sr₂O₂]₀.₅₂CoO₂ was obtained through ultra-high-pressure synthesis using Sr₃Co₂O₆ and Sr(OH)₂∙8H₂O as starting materials. Different dosages of KClO₃ were mixed with the raw materials as an oxygen source and tested, but it was found that the window for the redox control of [Sr₂O₂]₀.₅₂CoO₂ is rather narrow. From Co-K and Co-L₂,₃ spectra a mixed III/IV valence state is revealedmore » for cobalt in [Sr₂O₂]₀.₅₂}CoO₂, but the average valence value is a little lower than in [CoCa₂O₃]₀.₆₂CoO₂. Then, Sr-K spectrum indicates that the [Sr₂O₂] double-layer block in [Sr₂O₂]₀.₅₂CoO₂ clearly deviates from the cubic SrO rock-salt structure, suggesting a more complicated coordination environment for strontium. This together with a somewhat low Co-valence value and the fact that the phase formation of [Sr₂O₂]₀.₅₂CoO₂ required the presence of Sr(OH)₂∙8H₂O in the high-pressure synthesis suggest that the [Sr₂O₂] block contains ---OH groups, i.e. [Sr₂(O,OH)₂]₀.₅₂CoO₂. - Graphical abstract: [Sr₂O₂]₀.₅₂CoO₂ obtained through high-pressure synthesis is a parent of misfit-layered cobalt oxides, such as [CoCa₂O₃]₀.₆₂CoO₂ or [M mA₂O 2+m] qCoO₂ in general. Our comprehensive X-ray absorption spectroscopy study shows that both [Sr₂O₂]₀.₅₂CoO₂ and [CoCa₂O₃]₀.₆₂CoO₂ possess mixed III/IV valence cobalt, but the average Co-valence is a little lower in the former. This is tentatively believed to be due to OH --- groups replacing part of O²⁻ ions in the [Sr₂O₂] layer block. Highlights: • [Sr₂O₂]₀.₅₂CoO₂ is a parent of misfit-layered cobalt oxides. • It is obtained by ultra-high-pressure synthesis from Sr₃Co₂O₆, Sr(OH)₂∙6H₂O and KClO₃. • Co-K and Co---L XANES spectra reveal lower than expected Co-valence value. • Sr-K XANES spectrum indicates that the [Sr₂O₂] block is not of simple rock-salt structure. • This block most probably contains ---OH --- groups, i.e. [Sr₂(O,OH)₂]₀.₅₂CoO₂.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)

S. K. Kushwaha; Pletikosic, I.; Liang, T.

A long-standing issue in topological insulator research has been to find a bulk single crystal material that provides a high quality platform for characterizing topological surface states without interference from bulk electronic states. This material would ideally be a bulk insulator, have a surface state Dirac point energy well isolated from the bulk valence and conduction bands, display quantum oscillations from the surface state electrons, and be growable as large, high quality bulk single crystals. Here we show that this materials obstacle is overcome by bulk crystals of lightly Sn-doped Bi 1.1Sb 0.9Te 2S grown by the Vertical Bridgeman method.more » We characterize Sn-BSTS via angle-resolved photoemission spectroscopy, scanning tunneling microscopy, transport studies, X-ray diffraction, and Raman scattering. We present this material as a high quality topological insulator that can be reliably grown as bulk single crystals and thus studied by many researchers interested in topological surface states.« less
Valence bond and von Neumann entanglement entropy in Heisenberg ladders.

PubMed

Kallin, Ann B; González, Iván; Hastings, Matthew B; Melko, Roger G

2009-09-11

We present a direct comparison of the recently proposed valence bond entanglement entropy and the von Neumann entanglement entropy on spin-1/2 Heisenberg systems using quantum Monte Carlo and density-matrix renormalization group simulations. For one-dimensional chains we show that the valence bond entropy can be either less or greater than the von Neumann entropy; hence, it cannot provide a bound on the latter. On ladder geometries, simulations with up to seven legs are sufficient to indicate that the von Neumann entropy in two dimensions obeys an area law, even though the valence bond entanglement entropy has a multiplicative logarithmic correction.
Conductive metal oxide film and method of making

DOEpatents

Windisch, Jr., Charles F.; Exarhos, Gregory J.

1999-01-01

The present invention is a method for reducing a dopant in a film of a metal oxide wherein the dopant is reduced and the first metal oxide is substantially not reduced. The method of the present invention relies upon exposing the film to reducing conditions for a predetermined time and reducing a valence of the metal from a positive valence to a zero valence and maintaining atoms with a zero valence in an atomic configuration within the lattice structure of the metal oxide. According to the present invention, exposure to reducing conditions may be achieved electrochemically or achieved in an elevated temperature gas phase.
The two radii of a charged particle.

PubMed

Michov, B M

1989-01-01

The existence of two radii of each charged particle-a geometric and electrokinetic radii, is supposed. The mathematical relationship between them in the four possible combinations of an ion and its counterion is analyzed: (i) at equal geometric radii and, in absolute values, equal valencies; (ii) at equal geometric radii and, in absolute values, different valencies; (iii) at different geometric radii and, in absolute values, equal valencies; (iv) at different geometric radii and, in absolute values, different valencies. One of the equations worked out can be used to define the relationship between the geometric and electrokinetic radii of a polyion. All the equations are used in working out precise calculations.

Conductive metal oxide film and method of making

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

Windisch, C.F. Jr.; Exarhos, G.J.

1999-11-23

The present invention is a method for reducing a dopant in a film of a metal oxide wherein the dopant is reduced and the first metal oxide is substantially not reduced. The method of the present invention relies upon exposing the film to reducing conditions for a predetermined time and reducing a valence of the metal from a positive valence to a zero valence and maintaining atoms with a zero valence in an atomic configuration within the lattice structure of the metal oxide. According to the present invention, exposure to reducing conditions may be achieved electrochemically or achieved in anmore » elevated temperature gas phase.« less
Space-valence priming with subliminal and supraliminal words.

PubMed

Ansorge, Ulrich; Khalid, Shah; König, Peter

2013-01-01

To date it is unclear whether (1) awareness-independent non-evaluative semantic processes influence affective semantics and whether (2) awareness-independent affective semantics influence non-evaluative semantic processing. In the current study, we investigated these questions with the help of subliminal (masked) primes and visible targets in a space-valence across-category congruence effect. In line with (1), we found that subliminal space prime words influenced valence classification of supraliminal target words (Experiment 1): classifications were faster with a congruent prime (e.g., the prime "up" before the target "happy") than with an incongruent prime (e.g., the prime "up" before the target "sad"). In contrast to (2), no influence of subliminal valence primes on the classification of supraliminal space targets into up- and down-words was found (Experiment 2). Control conditions showed that standard masked response priming effects were found with both subliminal prime types, and that an across-category congruence effect was also found with supraliminal valence primes and spatial target words. The final Experiment 3 confirmed that the across-category congruence effect indeed reflected priming of target categorization of a relevant meaning category. Together, the data jointly confirmed prediction (1) that awareness-independent non-evaluative semantic priming influences valence judgments.
Representational similarity of social and valence information in the medial pFC.

PubMed

Chavez, Robert S; Heatherton, Todd F

2015-01-01

The human brain is remarkably adept at integrating complex information to form unified psychological representations of agents, objects, and events in the environment. Two domains in which this ability is particularly salient are the processing of social and valence information and are supported by common cortical areas in the medial pFC (MPFC). Because social information is often embedded within valenced emotional contexts, it is possible that activation patterns within the MPFC may represent both of these types of cognitive processes when presented simultaneously. The current study tested this possibility by employing a large-scale automated meta-analysis tool, together with multivoxel pattern analysis to investigate the representational similarity of social and valence information in the MPFC during fMRI. Using a representational similarity analysis, we found a high degree of representational similarity both within social dimensions and within valence dimensions, but not across them (e.g., positive social information was highly dissimilar to negative nonsocial information), in a ventral portion of the MPFC. These results were significantly correlated with a behaviorally measured similarity structure of the same stimuli, suggesting that a psychologically meaningful representation of social and valence information is reflected by multivoxel activation patterns in the ventral MPFC.
Effects of valence and divided attention on cognitive reappraisal processes

PubMed Central

Leclerc, Christina M.; Kensinger, Elizabeth A.

2014-01-01

Numerous studies have investigated the neural substrates supporting cognitive reappraisal, identifying the importance of cognitive control processes implemented by prefrontal cortex (PFC). This study examined how valence and attention affect the processes used for cognitive reappraisal by asking participants to passively view or to cognitively reappraise positive and negative images with full or divided attention. When participants simply viewed these images, results revealed few effects of valence or attention. However, when participants engaged in reappraisal, there was a robust effect of valence, with the reappraisal of negative relative to positive images associated with more widespread activation, including within regions of medial and lateral PFC. There also was an effect of attention, with more lateral PFC recruitment when regulating with full attention and more medial PFC recruitment when regulating with divided attention. Within two regions of medial PFC and one region of ventrolateral PFC, there was an interaction between valence and attention: in these regions, divided attention reduced activity during reappraisal of positive but not negative images. Critically, participants continued to report reappraisal success even during the Divided Attention condition. These results suggest multiple routes to successful cognitive reappraisal, depending upon image valence and the availability of attentional resources. PMID:24493837
The processing of unexpected positive response outcomes in the mediofrontal cortex.

PubMed

Ferdinand, Nicola K; Mecklinger, Axel; Kray, Jutta; Gehring, William J

2012-08-29

The human mediofrontal cortex, especially the anterior cingulate cortex, is commonly assumed to contribute to higher cognitive functions like performance monitoring. How exactly this is achieved is currently the subject of lively debate but there is evidence that an event's valence and its expectancy play important roles. One prominent theory, the reinforcement learning theory by Holroyd and colleagues (2002, 2008), assigns a special role to feedback valence, while the prediction of response-outcome (PRO) model by Alexander and Brown (2010, 2011) claims that the mediofrontal cortex is sensitive to unexpected events regardless of their valence. However, paradigms examining this issue have included confounds that fail to separate valence and expectancy. In the present study, we tested the two competing theories of performance monitoring by using an experimental task that separates valence and unexpectedness of performance feedback. The feedback-related negativity of the event-related potential, which is commonly assumed to be a reflection of mediofrontal cortex activity, was elicited not only by unexpected negative feedback, but also by unexpected positive feedback. This implies that the mediofrontal cortex is sensitive to the unexpectedness of events in general rather than their valence and by this supports the PRO model.
Affective valence, stimulus attributes, and P300: color vs. black/white and normal vs. scrambled images.

PubMed

Cano, Maya E; Class, Quetzal A; Polich, John

2009-01-01

Pictures from the International Affective Picture System (IAPS) were selected to manipulate affective valence (unpleasant, neutral, pleasant) while keeping arousal level the same. The pictures were presented in an oddball paradigm, with a visual pattern used as the standard stimulus. Subjects pressed a button whenever a target was detected. Experiment 1 presented normal pictures in color and black/white. Control stimuli were constructed for both the color and black/white conditions by randomly rearranging 1 cm square fragments of each original picture to produce a "scrambled" image. Experiment 2 presented the same normal color pictures with large, medium, and small scrambled condition (2, 1, and 0.5 cm squares). The P300 event-related brain potential demonstrated larger amplitudes over frontal areas for positive compared to negative or neutral images for normal color pictures in both experiments. Attenuated and nonsignificant valence effects were obtained for black/white images. Scrambled stimuli in each study yielded no valence effects but demonstrated typical P300 topography that increased from frontal to parietal areas. The findings suggest that P300 amplitude is sensitive to affective picture valence in the absence of stimulus arousal differences, and that stimulus color contributes to ERP valence effects.
Conductive lithium storage electrode

DOEpatents

Chiang, Yet-Ming [Framingham, MA; Chung, Sung-Yoon [Seoul, KR; Bloking, Jason T [Cambridge, MA; Andersson, Anna M [Uppsala, SE

2008-03-18

A compound comprising a composition A.sub.x(M'.sub.1-aM''.sub.a).sub.y(XD.sub.4).sub.z, A.sub.x(M'.sub.1-aM''.sub.a).sub.y(DXD.sub.4).sub.z, or A.sub.x(M'.sub.1-aM''.sub.a).sub.y(X.sub.2D.sub.7).sub.z, and have values such that x, plus y(1-a) times a formal valence or valences of M', plus ya times a formal valence or valence of M'', is equal to z times a formal valence of the XD.sub.4, X.sub.2D.sub.7, or DXD.sub.4 group; or a compound comprising a composition (A.sub.1-aM''.sub.a).sub.xM'.sub.y(XD.sub.4).sub.z, (A.sub.1-aM''.sub.a).sub.xM'.sub.y(DXD.sub.4).sub.z(A.sub.1-aM''.sub.a).s- ub.xM'.sub.y(X.sub.2D.sub.7).sub.z and have values such that (1-a).sub.x plus the quantity ax times the formal valence or valences of M'' plus y times the formal valence or valences of M' is equal to z times the formal valence of the XD.sub.4, X.sub.2D.sub.7 or DXD.sub.4 group. In the compound, A is at least one of an alkali metal and hydrogen, M' is a first-row transition metal, X is at least one of phosphorus, sulfur, arsenic, molybdenum, and tungsten, M'' any of a Group IIA, IIIA, IVA, VA, VIA, VIIA, VIIIA, IB, IIB, IIIB, IVB, VB, and VIB metal, D is at least one of oxygen, nitrogen, carbon, or a halogen, 0.0001
Conductive lithium storage electrode

DOEpatents

Chiang, Yet-Ming [Framingham, MA; Chung, Sung-Yoon [Incheon, KR; Bloking, Jason T [Mountain View, CA; Andersson, Anna M [Vasteras, SE

2012-04-03

A compound comprising a composition A.sub.x(M'.sub.1-aM''.sub.a).sub.y(XD.sub.4).sub.z, A.sub.x(M'.sub.1-aM''.sub.a).sub.y(DXD.sub.4).sub.z, or A.sub.x(M'.sub.1-aM''.sub.a).sub.y(X.sub.2D.sub.7).sub.z, and have values such that x, plus y(1-a) times a formal valence or valences of M', plus ya times a formal valence or valence of M'', is equal to z times a formal valence of the XD.sub.4, X.sub.2D.sub.7, or DXD.sub.4 group; or a compound comprising a composition (A.sub.1-aM''.sub.a).sub.xM'.sub.y(XD.sub.4).sub.z, (A.sub.1-aM''.sub.a).sub.xM'.sub.y(DXD.sub.4).sub.z (A.sub.1-aM''.sub.a).sub.xM'.sub.y(X.sub.2D.sub.7).sub.z and have values such that (1-a).sub.x plus the quantity ax times the formal valence or valences of M'' plus y times the formal valence or valences of M' is equal to z times the formal valence of the XD.sub.4, X.sub.2D.sub.7 or DXD.sub.4 group. In the compound, A is at least one of an alkali metal and hydrogen, M' is a first-row transition metal, X is at least one of phosphorus, sulfur, arsenic, molybdenum, and tungsten, M'' any of a Group IIA, IIIA, IVA, VA, VIA, VIIA, VIIIA, IB, IIB, IIIB, IVB, VB, and VIB metal, D is at least one of oxygen, nitrogen, carbon, or a halogen, 0.0001
Experimental Constraints on the Partitioning and Valence of V and Cr in Garnet and Coexisting Glass

NASA Technical Reports Server (NTRS)

Righter, K.; Sutton, S.; Berthet, S.; Newville, M.

2008-01-01

A series of experiments with garnet and coexisting melt have been carried out across a range of oxygen fugacities (near hematite-magnetite (HM) to below the iron-wustite (IW) buffers) at 1.7 GPa to study the partitioning and valence of Cr and V in both phases. Experiments were carried out in a non end loaded piston cylinder apparatus, and the run products were analyzed with electron microprobe and xray absorption near edge structure (XANES) analysis at beamline 13-ID at the Advanced Photon Source of Argonne National Lab. The valence of vanadium and chromium were determined using the position and intensity of the Ka pre-edge peaks, calibrated on a series of Cr and Vbearing standard glasses. This technique has been applied to V and Cr in glasses and V in spinels previously, and in these isotropic phases there are no orientational effects on the XANES spectra (Righter et al., 2006, Amer. Mineral. 91, 1643-1656). We also now demonstrate this to be true for V and Cr in garnet. Also, previous work has shown that V has a higher valence in the glass (or melt) than in the coexisting spinel. This is also true for V in garnet-glass pairs in this study. Vanadium valence in garnets varies from 2.7 below the IW buffer to 3.7 near HM, and for coexisting glass it varies from 3.2 to 4.3. Vanadium valence measured in some natural garnets from mantle localities indicates V in the more reduced range at 2.5. Comparisons will be made between fO2 estimated from V valence and other methods for garnet-bearing mantle samples. In contrast, Cr valence measured in garnet and coexisting glass for all experimental and natural samples is 2.9- 3.0, suggesting that the valence of Cr does not vary within either phase across a large fO2 range. These results demonstrate that while V varies from 2+ to 3+ to 4+ in garnet-melt systems, Cr does not, and this will ultimately affect the partitioning behavior of these two elements in natural systems. Garnet/melt D(Cr) are between 12 and 17 across this range of fO2, whereas D(V) has the highest partition coefficient approx.3, near the IW buffer where the valence of V is almost entirely 3+.
Geometry-dependent atomic multipole models for the water molecule.

PubMed

Loboda, O; Millot, C

2017-10-28

Models of atomic electric multipoles for the water molecule have been optimized in order to reproduce the electric potential around the molecule computed by ab initio calculations at the coupled cluster level of theory with up to noniterative triple excitations in an augmented triple-zeta quality basis set. Different models of increasing complexity, from atomic charges up to models containing atomic charges, dipoles, and quadrupoles, have been obtained. The geometry dependence of these atomic multipole models has been investigated by changing bond lengths and HOH angle to generate 125 molecular structures (reduced to 75 symmetry-unique ones). For several models, the atomic multipole components have been fitted as a function of the geometry by a Taylor series of fourth order in monomer coordinate displacements.
A facile method for synthesis of well-coated ZnO@graphene core/shell structure by self-assembly of amine-functionalized ZnO and graphene oxide

NASA Astrophysics Data System (ADS)

Zhang, Yunlong; Song, Lixin; Zhang, Yuzhi; Wang, Panpan; Liu, Yangqiao; Wu, Lingnan; Zhang, Tao

2016-06-01

The core/shell structure was formed by GO self-assembled with amine-functionalized commercial ZnO (CZO) and preparative hexagonal ZnO (HZO), respectively. Graphene-coated CZO and HZO were obtained after being reduced in Ar at 500 °C. The mechanism of the coating procedure was investigated by measuring their respective zeta potential values. Our characterizations demonstrate that graphene on HZO has better quality and fewer layers. An obvious band gap decrease of ZnO was observed for coating with graphene. Photoluminescence spectra of ZnO@graphene core/shell composites display the fluorescence quenching property, which indicates its good application prospect in optoelectronics, photocatalytic and other fields.
Geometry-dependent atomic multipole models for the water molecule

NASA Astrophysics Data System (ADS)

Loboda, O.; Millot, C.

2017-10-01

Models of atomic electric multipoles for the water molecule have been optimized in order to reproduce the electric potential around the molecule computed by ab initio calculations at the coupled cluster level of theory with up to noniterative triple excitations in an augmented triple-zeta quality basis set. Different models of increasing complexity, from atomic charges up to models containing atomic charges, dipoles, and quadrupoles, have been obtained. The geometry dependence of these atomic multipole models has been investigated by changing bond lengths and HOH angle to generate 125 molecular structures (reduced to 75 symmetry-unique ones). For several models, the atomic multipole components have been fitted as a function of the geometry by a Taylor series of fourth order in monomer coordinate displacements.
Rotationally excited HD toward Zeta Ophiuchi

NASA Technical Reports Server (NTRS)

Wright, E. L.; Morton, D. C.

1979-01-01

Copernicus satellite measurements of HD in J-double prime = 1 and J-double prime = 0 toward Zeta Oph are reported. The ratio of the number densities of HD in the J = 0 and J = 1 states is determined to be 0.15 + or - 0.02 at the 1-sigma level. A value of approximately 24 x 10 to the -17th erg/cu cm per A at 1000 A is obtained for the UV energy density at the Zeta Oph cloud, and the mechanisms for excitation of HD are examined. A tight upper limit is derived for the abundance of HCl, which has been predicted to be present due to the interaction of ionized chlorine with neutral hydrogen. A calculation is performed which indicates that the cloud is 28 pc from the star. It is shown that the two-component cloud model of Black and Dalgarno (1977) with densities of 500 and 2500 H nuclei per cu cm for the outer regions and core, respectively, is in excellent agreement with the observations.
Hydrogel increases localized transport regions and skin permeability during low frequency ultrasound treatment

NASA Astrophysics Data System (ADS)

Pereira, Tatiana Aparecida; Ramos, Danielle Nishida; Lopez, Renata F. V.

2017-03-01

Low frequency ultrasound (LFU) enhances skin permeability via the formation of heterogeneous localized transport regions (LTRs). In this work, hydrogels with different zeta potentials were used as the coupling medium for LFU to investigate their contribution to LTR patterns and to the skin penetration of two model drugs, calcein and doxorubicin (DOX). When hydrogels were used, LTRs covering at least a 3-fold greater skin area were observed compared to those resulting from traditional LFU treatment and sodium lauryl sulfate. More LTRs resulted in an enhancement of calcein skin permeation. The zeta potential of the hydrogels affected the skin penetration of the positively charged DOX; the cationic coupling medium decreased the DOX recovered from the viable epidermis by 2.8-fold, whereas the anionic coupling medium increased the DOX accumulation in the stratum corneum by 4.4-fold. Therefore, LFU/hydrogel treatment increases LTRs areas and can target ionized drugs to specific skin layers depending on the zeta potential of the coupling medium.
Physicochemical characterization and study of in vitro interactions of pH-sensitive liposomes with the complement system.

PubMed

Carmo, Vildete A S; De Oliveira, Mônica C; Reis, Eduardo C O; Guimarães, Tânia M P D; Vilela, José M C; Andrade, Margareth S; Michalick, Marilene S M; Cardoso, Valbert N

2008-01-01

Complement activation is an important step in the acceleration of liposome clearance. The anaphylatoxins released following complement activation may motivate a wide variety of physiologic changes. We performed physicochemical characterization and in vitro studies of the interaction of complement system with both noncirculating and long-circulating pH-sensitive and nonpH-sensitive liposomes. The liposomes were characterized by diameter, zeta potential, and atomic force microscopy (AFM). The study of liposome interactions with complement system was conducted using hemolytic assay in rat serum. All liposomes presented a similar mean diameter (between 99.8 and 124.3 nm). The zeta potential was negative in all liposome preparations, except in liposomes modified with aminopoly (ethyleneglycol) 2000-distearoylphosphatidylethanolamine (aPEG(2000)-DSPE), which presented positive zeta potential. Atomic force microscopy images showed that non-long-circulating pH-sensitive liposomes are prone to vesicles aggregation. Non-pH-sensitive liposomes complement system activates, while pH-sensitive liposomes showed to be poor complement activators in rat serum.
Influence of temperature, anions and size distribution on the zeta potential of DMPC, DPPC and DMPE lipid vesicles.

PubMed

Morini, M A; Sierra, M B; Pedroni, V I; Alarcon, L M; Appignanesi, G A; Disalvo, E A

2015-07-01

The purpose of the work is to compare the influence of the multilamellarity, phase state, lipid head groups and ionic media on the origin of the surface potential of lipid membranes. With this aim, we present a new analysis of the zeta potential of multilamellar and unilamellar vesicles composed by phosphatidylcholines (PC) and phosphatidylethanolamines (PE) dispersed in water and ionic solutions of polarizable anions, at temperatures below and above the phase transition. In general, the adsorption of anions seems to explain the origin of the zeta potential in vesicles only above the transition temperature (Tc). In this case, the sign of the surface potential is ascribed to a partial orientation of head group moiety toward the aqueous phase. This is noticeable in PC head groups but not in PEs, due to the strong lateral interaction between PO and NH group in PE. Copyright © 2015 Elsevier B.V. All rights reserved.
Toxicity and Metabolism of Zeta-Cypermethrin in Field-Collected and Laboratory Strains of the Neotropical Predator Chrysoperla externa Hagen (Neuroptera: Chrysopidae).

PubMed

Haramboure, M; Smagghe, G; Niu, J; Christiaens, O; Spanoghe, P; Alzogaray, R A

2017-06-01

Resistance to pesticides has been studied in several insect pests, but information on the natural enemies of pests-including the Neotropical predator Chrysoperla externa Hagen (Neuroptera: Chrysopidae), a major biological control agent in South America-is lacking. We report here a comparative study between a field-collected strain of C. externa subjected to monthly sprayings of pyrethroids and neonicotinoids and a laboratory strain without exposure to pesticides. The tolerance of both strains against zeta-cypermethrin was similar, and addition of the synergist piperonyl butoxide increased the toxicity by 30% in both strains. Gas-chromatography analyses and mixed-function-oxidase measurements indicated similar values in both strains and also confirmed the key role of oxidative metabolism in this species. Because C. externa has maintained a tolerance to zeta-cypermethrin without previous pesticide exposure, this species could potentially be mass-reared and released in fields in the presence of pesticide pressure.
Nanoparticle Tracking Analysis for Determination of Hydrodynamic Diameter, Concentration, and Zeta-Potential of Polyplex Nanoparticles.

PubMed

Wilson, David R; Green, Jordan J

2017-01-01

Nanoparticle tracking analysis (NTA) is a recently developed nanoparticle characterization technique that offers certain advantages over dynamic light scattering for characterizing polyplex nanoparticles in particular. Dynamic light scattering results in intensity-weighted average measurements of nanoparticle characteristics. In contrast, NTA directly tracks individual particles, enabling concentration measurements as well as the direct determination of number-weighted particle size and zeta-potential. A direct number-weighted assessment of nanoparticle characteristics is particularly useful for polydisperse samples of particles, including many varieties of gene delivery particles that can be prone to aggregation. Here, we describe the synthesis of poly(beta-amino ester)/deoxyribonucleic acid (PBAE/DNA) polyplex nanoparticles and their characterization using NTA to determine hydrodynamic diameter, zeta-potential, and concentration. Additionally, we detail methods of labeling nucleic acids with fluorophores to assess only those polyplex nanoparticles containing plasmids via NTA. Polymeric gene delivery of exogenous plasmid DNA has great potential for treating a wide variety of diseases by inducing cells to express a gene of interest.
Improved flotation performance of hematite fines using citric acid as a dispersant

NASA Astrophysics Data System (ADS)

Luo, Xi-mei; Yin, Wan-zhong; Sun, Chuan-yao; Wang, Nai-ling; Ma, Ying-qiang; Wang, Yun-fan

2016-10-01

In this study, citric acid was used as a dispersant to improve the flotation performance of hematite fines. The effect and mechanism of citric acid on the reverse flotation of hematite fines were investigated by flotation tests, sedimentation experiments, scanning electron microscopy (SEM), zeta-potential measurements, and X-ray photoelectron spectroscopy (XPS). The results of SEM analysis and flotation tests reveal that a strong heterocoagulation in the form of slime coating or coagulation in hematite fine slurry affects the beneficiation of hematite ores by froth flotation. The addition of a small amount of citric acid (less than 300 g/t) favorably affects the reverse flotation of hematite fines by improving particle dispersion. The results of sedimentation experiments, zeta-potential measurements, and XPS measurements demonstrate that citric acid adsorbs onto hematite and quartz surfaces via hydrogen bonding, thereby reducing the zeta potentials of mineral surfaces, strengthening the electrical double-layer repulsion between mineral particles, and dispersing the pulp particles.
An interstellar cloud density from Copernicus observations of CO in the spectrum of Zeta Ophiuchi

NASA Technical Reports Server (NTRS)

Smith, A. M.; Stecher, T. P.; Krishna Swamy, K. S.

1978-01-01

Interstellar CO absorption bands in Copernicus spectra of Zeta Oph have been studied. Absorption profiles, computed under the assumption that excitation is due to collisions with H2 molecules and interaction with the 3-K background radiation field, were fitted to the reduced data of nine bands. When a gas kinetic temperature of 56 K is assumed, the best-fit condition implies a hydrogen-nucleus density of 120 per cu cm, a CO column density of 1.2 by 10 to the 15th power per sq cm, and a radial-velocity dispersion of 0.9 km/s. The relevance of these results to existing ideas concerning the Zeta Oph interstellar clouds is discussed. It is suggested that the strongest interstellar component is not circumstellar in origin but is instead part of a supernova remnant. Simple calculations are made to establish the plausibility of the supernova-remnant identification. This suggestion is also supported by Heiles's (1976) 21-cm pictures.

Stability of fenbendazole suspensions for veterinary use. Correlation between zeta potential and sedimentation.

PubMed

Arias, José L; López-Viota, Margarita; Clares, Beatriz; Ruiz, Ma Adolfina

2008-08-07

In this paper we have carried out a detailed investigation of the stability and redispersibility characteristics of fenbendazole aqueous suspensions, through a thermodynamic and electrokinetic characterization, considering the effect of both pH and ionic strength. The hydrophobic character of the drug, and the surface charge and electrical double-layer thickness play an essential role in the stability of the system, hence the need for a full characterization of fenbendazole. It was found that the drug suspensions displays "delayed" or "hindered" sedimentation, determined by their hydrophobic character and their low zeta potential (indicating a small electrokinetic charge on the particles). The electrostatic repulsion between the particles is responsible for the low sedimentation volume and poor redispersibility of the drug. However, only low concentrations of AlCl(3) induced a significant effect on both the zeta potential and stability of the drug, leading to a "free-layered" sedimentation and a very easy redispersion which could be of great interest in the design of an oral pharmaceutical dosage form for veterinary.
A Revelation: Quantum-Statistics and Classical-Statistics are Analytic-Geometry Conic-Sections and Numbers/Functions: Euler, Riemann, Bernoulli Generating-Functions: Conics to Numbers/Functions Deep Subtle Connections

NASA Astrophysics Data System (ADS)

Descartes, R.; Rota, G.-C.; Euler, L.; Bernoulli, J. D.; Siegel, Edward Carl-Ludwig

2011-03-01

Quantum-statistics Dichotomy: Fermi-Dirac(FDQS) Versus Bose-Einstein(BEQS), respectively with contact-repulsion/non-condensation(FDCR) versus attraction/ condensationBEC are manifestly-demonstrated by Taylor-expansion ONLY of their denominator exponential, identified BOTH as Descartes analytic-geometry conic-sections, FDQS as Elllipse (homotopy to rectangle FDQS distribution-function), VIA Maxwell-Boltzmann classical-statistics(MBCS) to Parabola MORPHISM, VS. BEQS to Hyperbola, Archimedes' HYPERBOLICITY INEVITABILITY, and as well generating-functions[Abramowitz-Stegun, Handbook Math.-Functions--p. 804!!!], respectively of Euler-numbers/functions, (via Riemann zeta-function(domination of quantum-statistics: [Pathria, Statistical-Mechanics; Huang, Statistical-Mechanics]) VS. Bernoulli-numbers/ functions. Much can be learned about statistical-physics from Euler-numbers/functions via Riemann zeta-function(s) VS. Bernoulli-numbers/functions [Conway-Guy, Book of Numbers] and about Euler-numbers/functions, via Riemann zeta-function(s) MORPHISM, VS. Bernoulli-numbers/ functions, visa versa!!! Ex.: Riemann-hypothesis PHYSICS proof PARTLY as BEQS BEC/BEA!!!
Mapping Protein–Protein Interactions of the Resistance-Related Bacterial Zeta Toxin–Epsilon Antitoxin Complex (ε2ζ2) with High Affinity Peptide Ligands Using Fluorescence Polarization

PubMed Central

Fernández-Bachiller, María Isabel; Brzozowska, Iwona; Odolczyk, Norbert; Zielenkiewicz, Urszula; Zielenkiewicz, Piotr; Rademann, Jörg

2016-01-01

Toxin–antitoxin systems constitute a native survival strategy of pathogenic bacteria and thus are potential targets of antibiotic drugs. Here, we target the Zeta–Epsilon toxin–antitoxin system, which is responsible for the stable maintenance of certain multiresistance plasmids in Gram-positive bacteria. Peptide ligands were designed on the basis of the ε2ζ2 complex. Three α helices of Zeta forming the protein–protein interaction (PPI) site were selected and peptides were designed conserving the residues interacting with Epsilon antitoxin while substituting residues binding intramolecularly to other parts of Zeta. Designed peptides were synthesized with an N-terminal fluoresceinyl-carboxy-residue for binding assays and provided active ligands, which were used to define the hot spots of the ε2ζ2 complex. Further shortening and modification of the binding peptides provided ligands with affinities <100 nM, allowing us to determine the most relevant PPIs and implement a robust competition binding assay. PMID:27438853
Electrophoretic Study of the SnO2/Aqueous Solution Interface up to 260 degrees C.

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

Rodriguez-Santiago, V; Fedkin, Mark V.; Wesolowski, David J

2009-01-01

An electrophoresis cell developed in our laboratory was utilized to determine the zeta potential at the SnO{sub 2} (cassiterite)/aqueous solution (10{sup -3} mol kg{sup -1} NaCl) interface over the temperature range from 25 to 260 C. Experimental techniques and methods for the calculation of zeta potential at elevated temperature are described. From the obtained zeta potential data as a function of pH, the isoelectric points (IEPs) of SnO{sub 2} were obtained for the first time. From these IEP values, the standard thermodynamic functions were calculated for the protonation-deprotonation equilibrium at the SnO{sub 2} surface, using the 1-pK surface complexation model.more » It was found that the IEP values for SnO{sub 2} decrease with increasing temperature, and this behavior is compared to the predicted values by the multisite complexation (MUSIC) model and other semitheoretical treatments, and were found to be in excellent agreement.« less
Rheological behavior, zeta potential, and accelerated stability tests of Buriti oil (Mauritia flexuosa) emulsions containing lyotropic liquid crystals.

PubMed

Zanatta, Cinthia Fernanda; de Faria Sato, Anne Miwa Callejón; de Camargo, Flavio Bueno; Campos, Patrícia Maria Berardo Gonçalves Maia; Rocha-Filho, Pedro Alves

2010-01-01

It is well known that the Amazon region presents a huge biodiversity; therefore, countless natural resources are being employed in the production of phytocosmetics and phytomedicines. The purpose of this work was to obtain emulsions produced with Buriti oil and non-ionic surfactants. Two surfactant systems were employed (Steareth-2 associated to Ceteareth-5 and to Ceteareth-20) to produce the emulsions using phase diagram method. Emulsions were obtained by echo-planar imaging method at 75°C. Rheological behavior and zeta potential were evaluated, and accelerated stability tests were performed. All emulsions analyzed presented pseudoplastic behavior. Zeta potential values were obtained between -14.2 and -53.3 mV. The formulations did not show changes in either physical stability, pH, or rheological behavior after accelerated stability tests. Significant differences were observed only after temperature cycling test. Based on these results, the emulsions obtained could be considered as promising delivery systems.
Fast mapping of the cobalt-valence state in Ba0.5Sr0.5Co0.8Fe0.2O3-d by electron energy loss spectroscopy.

PubMed

Müller, Philipp; Meffert, Matthias; Störmer, Heike; Gerthsen, Dagmar

2013-12-01

A fast method for determination of the Co-valence state by electron energy loss spectroscopy in a transmission electron microscope is presented. We suggest the distance between the Co-L3 and Co-L2 white-lines as a reliable property for the determination of Co-valence states between 2+ and 3+. The determination of the Co-L2,3 white-line distance can be automated and is therefore well suited for the evaluation of large data sets that are collected for line scans and mappings. Data with a low signal-to-noise due to short acquisition times can be processed by applying principal component analysis. The new technique was applied to study the Co-valence state of Ba0.5Sr0.5Co0.8Fe0.2O3-d (BSCF), which is hampered by the superposition of the Ba-M4,5 white-lines on the Co-L2,3 white-lines. The Co-valence state of the cubic BSCF phase was determined to be 2.2+ (±0.2) after annealing for 100 h at 650°C, compared to an increased valence state of 2.8+ (±0.2) for the hexagonal phase. These results support models that correlate the instability of the cubic BSCF phase with an increased Co-valence state at temperatures below 840°C.
Explaining the effect of event valence on unrealistic optimism.

PubMed

Gold, Ron S; Brown, Mark G

2009-05-01

People typically exhibit 'unrealistic optimism' (UO): they believe they have a lower chance of experiencing negative events and a higher chance of experiencing positive events than does the average person. UO has been found to be greater for negative than positive events. This 'valence effect' has been explained in terms of motivational processes. An alternative explanation is provided by the 'numerosity model', which views the valence effect simply as a by-product of a tendency for likelihood estimates pertaining to the average member of a group to increase with the size of the group. Predictions made by the numerosity model were tested in two studies. In each, UO for a single event was assessed. In Study 1 (n = 115 students), valence was manipulated by framing the event either negatively or positively, and participants estimated their own likelihood and that of the average student at their university. In Study 2 (n = 139 students), valence was again manipulated and participants again estimated their own likelihood; additionally, group size was manipulated by having participants estimate the likelihood of the average student in a small, medium-sized, or large group. In each study, the valence effect was found, but was due to an effect on estimates of own likelihood, not the average person's likelihood. In Study 2, valence did not interact with group size. The findings contradict the numerosity model, but are in accord with the motivational explanation. Implications for health education are discussed.
Charge and Spin-State Characterization of Cobalt Bis( o-dioxolene) Valence Tautomers Using Co Kβ X-ray Emission and L-Edge X-ray Absorption Spectroscopies

DOE PAGES

Liang, H. Winnie; Kroll, Thomas; Nordlund, Dennis; ...

2016-12-30

The valence tautomeric states of Co(phen)(3,5-DBQ) 2 and Co(tmeda)(3,5-DBQ) 2, where 3,5-DBQ is either the semiquinone (SQ –) or catecholate (Cat 2–) form of 3,5-di- tert-butyl-1,2-benzoquinone, have been examined by a series of cobalt-specific X-ray spectroscopies. In this work, we have utilized the sensitivity of 1s3p X-ray emission spectroscopy (Kβ XES) to the oxidation and spin states of 3d transition-metal ions to determine the cobalt-specific electronic structure of valence tautomers. A comparison of their Kβ XES spectra with the spectra of cobalt coordination complexes with known oxidation and spin states demonstrates that the low-temperature valence tautomer can be described asmore » a low-spin Co III configuration and the high-temperature valence tautomer as a high-spin Co II configuration. This conclusion is further supported by Co L-edge X-ray absorption spectroscopy (L-edge XAS) of the high-temperature valence tautomers and ligand-field atomic-multiplet calculations of the Kβ XES and L-edge XAS spectra. In conclusion, the nature and strength of the magnetic exchange interaction between the cobalt center and SQ – in cobalt valence tautomers is discussed in view of the effective spin at the Co site from Kβ XES and the molecular spin moment from magnetic susceptibility measurements.« less
Autonomic nervous system reactivity within the valence-arousal affective space: Modulation by sex and age.

PubMed

Gomez, Patrick; von Gunten, Armin; Danuser, Brigitta

2016-11-01

In the present study, we examined how sex and age shape cardiovascular, electrodermal, and pupillary reactivity to picture series within the valence-arousal affective space in a sample of 176 healthy younger, middle-aged, and older men and women. Across participants, heart rate (HR) decelerated with increasing self-reported unpleasantness, whereas skin conductance level (SCL) and pupil size (PS) increased with increasing self-rated arousal. Systolic (SBP) and diastolic (DBP) blood pressure increased with increasing self-rated arousal when valence was pleasant but much less when valence was unpleasant. Compared to women, men exhibited a stronger correlation between valence and HR and an SBP response characterized by larger increases for pleasant high-arousal states and lower change scores for unpleasant low- and high-arousal and pleasant low-arousal states. Men's largest SCL change scores were for pleasant high-arousal states, whereas women's largest SCL change scores were for unpleasant high-arousal states. The arousal-PS relationship was stronger among women, in particular for unpleasant series. From younger to older age, there were decreases in the strength of the valence-HR, arousal-SCL, and arousal-PS relationships. Older adults had larger overall increases in SBP and DBP than younger adults, but the relationships with self-reported valence and arousal were not age dependent. We discuss how the observed sex and age effects may reflect sex and age differences in emotional processing and in basic autonomic nervous system functioning. Copyright © 2016 Elsevier B.V. All rights reserved.
Charge and Spin-State Characterization of Cobalt Bis( o-dioxolene) Valence Tautomers Using Co Kβ X-ray Emission and L-Edge X-ray Absorption Spectroscopies

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

Liang, H. Winnie; Kroll, Thomas; Nordlund, Dennis

The valence tautomeric states of Co(phen)(3,5-DBQ) 2 and Co(tmeda)(3,5-DBQ) 2, where 3,5-DBQ is either the semiquinone (SQ –) or catecholate (Cat 2–) form of 3,5-di- tert-butyl-1,2-benzoquinone, have been examined by a series of cobalt-specific X-ray spectroscopies. In this work, we have utilized the sensitivity of 1s3p X-ray emission spectroscopy (Kβ XES) to the oxidation and spin states of 3d transition-metal ions to determine the cobalt-specific electronic structure of valence tautomers. A comparison of their Kβ XES spectra with the spectra of cobalt coordination complexes with known oxidation and spin states demonstrates that the low-temperature valence tautomer can be described asmore » a low-spin Co III configuration and the high-temperature valence tautomer as a high-spin Co II configuration. This conclusion is further supported by Co L-edge X-ray absorption spectroscopy (L-edge XAS) of the high-temperature valence tautomers and ligand-field atomic-multiplet calculations of the Kβ XES and L-edge XAS spectra. In conclusion, the nature and strength of the magnetic exchange interaction between the cobalt center and SQ – in cobalt valence tautomers is discussed in view of the effective spin at the Co site from Kβ XES and the molecular spin moment from magnetic susceptibility measurements.« less
Polar ionosphere of Venus near the planet's terminator according to radio-occultation data from the Venera 15 and 16 satellites

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

Savich, N.A.; Andrev, V.E.

1986-11-01

The Venera-15 and -16 satellites, using the method of dual-frequency radio transillumination, determined the altitude distribution of electron concentration over the surface of Venus in the planet's polar regions near its terminator for solar zenith angles of 90 less than or equal to /ZETA/theta less than or equal to 96/sup 0/. The measurements were conducted from October 25 through November 5, 1983, in a period of comparatively low solar activity. In the experiments, the on-board transmitter emitted two coherent signals in the decimeter and centimeter bands at the times of the satellites' settings or occultations behind the planetary disk andmore » of their emerging from behind it, and the terrestrial receiver complex carried out measurements of the phase and frequency differences of these signals. It was found that, at 92 < /ZETA//PHI/ < 96/sup 0/, the distribution of electron concentration can have either one or two ionization maxima. The concentration at the upper maximum, situated at altitudes of 140-150 km, decreases regularly with increase of /ZETA/theta, while at the lower maximum it is practically independent of /ZETA/theta. The altitude range of the ionosphere in the vicinity of the terminator is as much as 10/sup 3/ km. At altitudes h > 200 km a plasma layer forms with an almost constant electron concentration of about 10/sup 3/ cm/sup -3/.« less
Impact of welan gum on tricalcium aluminate-gypsum hydration

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

Ma Lei, E-mail: malei198713@163.com; Zhao Qinglin, E-mail: zhaoqinglin@whut.edu.cn; Yao Chukang

The retarding effect of welan gum on tricalcium aluminate-gypsum hydration, as a partial system of ordinary Portland cement (OPC) hydration, was investigated with several methods. The tricalcium aluminate-gypsum hydration behavior in the presence or absence of welan gum was researched by field emission gun scanning electron microscopy, X-ray diffraction and zeta potential analysis. Meanwhile, we studied the surface electrochemical properties and adsorption characteristics of welan gum by utilizing a zeta potential analyzer and UV-VIS absorption spectrophotometer. By adding welan gum, the morphology change of ettringite and retardation of hydration stages in tricalcium aluminate-gypsum system was observed. Moreover, we detected themore » adsorption behavior and zeta potential inversion of tricalcium aluminate and ettringite, as well as a rapid decrease in the zeta potential of tricalcium aluminate-gypsum system. The reduction on nucleation rate of ettringite and hydration activity of C{sub 3}A was also demonstrated. Thus, through the adsorption effect, welan gum induces a retarding behavior in tricalcium aluminate-gypsum hydration. Highlights: Black-Right-Pointing-Pointer Adsorption characteristics of welan gum on C{sub 3}A and ettringite have been studied. Black-Right-Pointing-Pointer C{sub 3}A-gypsum hydration behavior and the hydration products are examined in L/S = 3. Black-Right-Pointing-Pointer Welan gum retards the process of C{sub 3}A-gypsum hydration. Black-Right-Pointing-Pointer The addition of welan gum changes the nucleation growth of ettringite.« less
Characterization of gold nanoparticles with different hydrophilic coatings via capillary electrophoresis and Taylor dispersion analysis. Part I: determination of the zeta potential employing a modified analytic approximation.

PubMed

Pyell, Ute; Jalil, Alaa H; Pfeiffer, Christian; Pelaz, Beatriz; Parak, Wolfgang J

2015-07-15

Taking gold nanoparticles with different hydrophilic coatings as an example, it is investigated whether capillary electrophoresis in combination with Taylor dispersion analysis allows for the precise determination of mean electrophoretic mobilities, electrophoretic mobility distributions, and zeta potentials in a matrix of exactly known composition and the calibration-free determination of number-weighted mean hydrodynamic radii. Our experimental data confirm that the calculation of the zeta potential for colloidal nanoparticles with ζ>25 mV requires to take the relaxation effect into account. Because of the requirement to avoid particle-wall interactions, a solution of disodiumtetraborate decahydrate (borax) in deionized water had been selected as suitable electrolyte. Measurements of the electrophoretic mobility at different ionic strength and application of the analytic approximation developed by Ohshima show that in the present case of a buffered solution with a weak electrolyte co-ion and a strong electrolyte counterion, the effective ionic drag coefficient should be approximated with the ionic drag coefficient of the counterion. The obtained results are in good agreement with theoretical expectations regarding the dependence of the zeta potential and the electrokinetic surface charge density on the ionic strength. We also show that Taylor dispersion analysis (besides estimation of the number-weighted mean hydrodynamic radius) provides additional information on the type and width of the number-weighted particle distribution. Copyright © 2015 Elsevier Inc. All rights reserved.
Design and assembly of ternary Pt/Re/SnO2 NPs by controlling the zeta potential of individual Pt, Re, and SnO2 NPs

NASA Astrophysics Data System (ADS)

Drzymała, Elżbieta; Gruzeł, Grzegorz; Pajor-Świerzy, Anna; Depciuch, Joanna; Socha, Robert; Kowal, Andrzej; Warszyński, Piotr; Parlinska-Wojtan, Magdalena

2018-05-01

In this study Pt, Re, and SnO2 nanoparticles (NPs) were combined in a controlled manner into binary and ternary combinations for a possible application for ethanol oxidation. For this purpose, zeta potentials as a function of the pH of the individual NPs solutions were measured. In order to successfully combine the NPs into Pt/SnO2 and Re/SnO2 NPs, the solutions were mixed together at a pH guaranteeing opposite zeta potentials of the metal and oxide NPs. The individually synthesized NPs and their binary/ternary combinations were characterized by Fourier transform infrared spectroscopy (FTIR) and scanning transmission electron microscopy (STEM) combined with energy dispersive X-ray spectroscopy (EDS) analysis. FTIR and XPS spectroscopy showed that the individually synthesized Pt and Re NPs are metallic and the Sn component was oxidized to SnO2. STEM showed that all NPs are well crystallized and the sizes of the Pt, Re, and SnO2 NPs were 2.2, 1.0, and 3.4 nm, respectively. Moreover, EDS analysis confirmed the successful formation of binary Pt/SnO2 and Re/SnO2 NP, as well as ternary Pt/Re/SnO2 NP combinations. This study shows that by controlling the zeta potential of individual metal and oxide NPs, it is possible to assemble them into binary and ternary combinations. [Figure not available: see fulltext.
Light-Front Holography, Light-Front Wavefunctions, and Novel QCD Phenomena

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

Brodsky, Stanley J.; /SLAC /Southern Denmark U., CP3-Origins; de Teramond, Guy F.

2012-02-16

Light-Front Holography is one of the most remarkable features of the AdS/CFT correspondence. In spite of its present limitations it provides important physical insights into the nonperturbative regime of QCD and its transition to the perturbative domain. This novel framework allows hadronic amplitudes in a higher dimensional anti-de Sitter (AdS) space to be mapped to frame-independent light-front wavefunctions of hadrons in physical space-time. The model leads to an effective confining light-front QCD Hamiltonian and a single-variable light-front Schroedinger equation which determines the eigenspectrum and the light-front wavefunctions of hadrons for general spin and orbital angular momentum. The coordinate z inmore » AdS space is uniquely identified with a Lorentz-invariant coordinate {zeta} which measures the separation of the constituents within a hadron at equal light-front time and determines the off-shell dynamics of the bound-state wavefunctions, and thus the fall-off as a function of the invariant mass of the constituents. The soft-wall holographic model modified by a positive-sign dilaton metric, leads to a remarkable one-parameter description of nonperturbative hadron dynamics - a semi-classical frame-independent first approximation to the spectra and light-front wavefunctions of meson and baryons. The model predicts a Regge spectrum of linear trajectories with the same slope in the leading orbital angular momentum L of hadrons and the radial quantum number n. The hadron eigensolutions projected on the free Fock basis provides the complete set of valence and non-valence light-front Fock state wavefunctions {Psi}{sub n/H} (x{sub i}, k{sub {perpendicular}i}, {lambda}{sub i}) which describe the hadron's momentum and spin distributions needed to compute the direct measures of hadron structure at the quark and gluon level, such as elastic and transition form factors, distribution amplitudes, structure functions, generalized parton distributions and transverse momentum distributions. The effective confining potential also creates quark-antiquark pairs from the amplitude q {yields} q{bar q}q. Thus in holographic QCD higher Fock states can have any number of extra q{bar q} pairs. We discuss the relevance of higher Fock-states for describing the detailed structure of space and time-like form factors. The AdS/QCD model can be systematically improved by using its complete orthonormal solutions to diagonalize the full QCD light-front Hamiltonian or by applying the Lippmann-Schwinger method in order to systematically include the QCD interaction terms. A new perspective on quark and gluon condensates is also obtained.« less
Hydrogen release reactions of Al-based complex hydrides enhanced by vibrational dynamics and valences of metal cations

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

Sato, T.; Ramirez-Cuesta, Anibal J.; Daemen, Luke L.

2016-08-31

Hydrogen release from Al-based complex hydrides composed of metal cation(s) and [AlH4] – was investigated using inelastic neutron scattering viewed from vibrational dynamics. Here, the hydrogen release followed the softening of translational and [AlH4] – librational modes, which was enhanced by vibrational dynamics and the valence(s) of the metal cation(s).
Clinical and pharmacogenomic data mining: 1. Generalized theory of expected information and application to the development of tools.

PubMed

Robson, Barry

2003-01-01

New scientific problems, arising from the human genome project, are challenging the classical means of using statistics. Yet quantified knowledge in the form of rules and rule strengths based on real relationships in data, as opposed to expert opinion, is urgently required for researcher and physician decision support. The problem is that with many parameters, the space to be analyzed is highly dimensional. That is, the combinations of data to examine are subject to a combinatorial explosion as the number of possible events (entries, items, sub-records) (a),(b),(c),... per record (a,b,c,..) increases, and hence much of the space is sparsely populated. These combinatorial considerations are particularly problematic for identifying those associations called "Unicorn Events" which occur significantly less than expected to the extent that they are never seen to be counted. To cope with the combinatorial explosion, a novel numerical "book keeping" approach is taken to generate information terms relating to the combinatorial subsets of events (a,b,c,..), and, most importantly, the zeta (Zeta) function is employed. The incomplete Zeta function zeta(s,n) with s = 1, in which frequencies of occurrence such as n = n(a,b,c,...) determine the range of summation n, is argued to be the natural choice of information function. It emerges from Bayesian integration, taken over the distribution of possible values of information measures for sparse and ample data alike. Expected mutual information l(a;b;c) in nats (i.e., natural units analogous to bits but based on the natural logarithm), such as is available to the observer, is measured as e.g., the difference zeta(s,o(a,b,c..)) - zeta(s,e(a,b,c..)) where o(a,b,c,..) and e(a,b,c,..) are, or relate to, the observed and expected frequencies of occurrence, respectively. For real values of s > 1 the qualitative impact of strongly (positively or negatively) ranked data is preserved despite several numerical approximations. As real s increases, and the output of the information functions converge into three values +1, 0, and -1 nats representing a trinary logic system. For quantitative data, a useful ad hoc method, to report sigma-normalized covariations in an analogous manner to mutual information for significance comparison purposes, is demonstrated. Finally, the potential ability to make use of mutual information in a complex biomedical study, and to include Bayesian prior information derived from statistical, tabular, anecdotal, and expert opinion is briefly illustrated.
Perception of music performance on historical and modern commercial recordings.

PubMed

Timmers, Renee

2007-11-01

Performing styles as well as recording styles have changed considerably within the 20th century. To what extent do the age of a recording, the unfamiliarity with performing style, and the quality of a reproduction of a recording systematically influence how we perceive performances on record? Four exploratory experiments were run to formulate an answer to this question. Each experiment examined a different aspect of the perception of performance, including judgments of quality, perceived emotion, and dynamics. Fragments from Die junge Nonne sung by famous singers from the start, middle, and second half of the 20th century were presented in a noisy and clean version to musically trained participants. The results show independence of perception of emotional activity from recording date, strong dependence of perceived quality and emotional impact on recording date, and only limited effects of reproduction quality. Standards have clearly changed, which influence judgments of quality and age. Additionally, changes restrict the communication between early recorded performers and modern listeners to some extent as shown by systematically smaller variations in communicated dynamics and emotional valence for older recordings.
Staying Connected: Computer-Mediated and Face-to-Face Communication in College Students' Dating Relationships.

PubMed

Boyle, Andrea M; O'Sullivan, Lucia F

2016-05-01

Little is known about the features, depth, and quality of communication in heterosexual dating relationships that include computer-mediated communication (CMC). This study examined these features as well as CMC's potential to facilitate self-disclosure and information-seeking. It also evaluated whether partner CMC interactions play a role in partner intimacy and communication quality. Young adults (N = 359; 18-24) attending postsecondary education institutions completed an online survey about their CMC use. To be included in the study, all participants were in established dating relationships at the time of the study and reported daily communication with their partner. CMC was linked to partners' disclosure of nonintimate information. This personal self-disclosure was linked positively to relationship intimacy and communication quality, beyond contributions from face-to-face interactions. Breadth (not depth) of self-disclosure and positively valenced interactions, in particular, proved key to understanding greater levels of intimacy in dating relationships and better communication quality as a function of CMC. CMC provides opportunities for partners to stay connected and to improve the overall quality of their intimacy and communication.
[Emotional valence of words in schizophrenia].

PubMed

Jalenques, I; Enjolras, J; Izaute, M

2013-06-01

Emotion recognition is a domain in which deﬁcits have been reported in schizophrenia. A number of emotion classiﬁcation studies have indicated that emotion processing deﬁcits in schizophrenia are more pronounced for negative affects. Given the difﬁculty of developing material suitable for the study of these emotional deﬁcits, it would be interesting to examine whether patients suffering from schizophrenia are responsive to positively and negatively charged emotion-related words that could be used within the context of remediation strategies. The emotional perception of words was examined in a clinical experiment involving schizophrenia patients. This emotional perception was expressed by the patients in terms of the valence associated with the words. In the present study, we investigated whether schizophrenia patients would assign the same negative and positive valences to words as healthy individuals. Twenty volunteer, clinically stable, outpatients from the Psychiatric Service of the University Hospital of Clermont-Ferrand were recruited. Diagnoses were based on DSM-IV criteria. Global psychiatric symptoms were assessed using the Positive and Negative Symptoms Scale (PANSS). The patients had to evaluate the emotional valence of a set of 300 words on a 5-point scale ranging from "very unpleasant" to "very pleasant". . The collected results were compared with those obtained by Bonin et al. (2003) [13] from 97 University students. Correlational analyses of the two studies revealed that the emotional valences were highly correlated, i.e. the schizophrenia patients estimated very similar emotional valences. More precisely, it was possible to examine three separate sets of 100 words each (positive words, neutral words and negative words). The positive words that were evaluated were the more positive words from the norms collected by Bonin et al. (2003) [13], and the negative words were the more negative examples taken from these norms. The neutral words reflected the more neutral emotional valences collected. The results suggested that the emotional valences for the negative words were significantly greater in the patients than is observed in the collected norms (P<0.001). Moreover, the emotional valence associated with positive words was significantly lower in the patients than in the collected norms (P<0.001). Nevertheless, only 16 words differed significantly in terms of evaluated emotional valence between patients and young adults. Despite their overall emotional impairments, the patients with schizophrenia had a very similar perception of word valence as controls. This result suggests that the emotional perception of most emotional words is preserved. This research provides data important to consider during rehabilitation. Moreover, this study will make it possible to select stimuli for use in future studies of emotion in patients. Copyright © 2012. Published by Elsevier Masson SAS.

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