Theoretical investigation of electronic states and spectroscopic properties of tellurium selenide molecule employing relativistic effective core potentials.

PubMed

Chattopadhyaya, Surya; Nath, Abhijit; Das, Kalyan Kumar

2014-04-24

Ab initio based relativistic configuration interaction calculations have been performed to study the electronic states and spectroscopic properties of tellurium selenide (TeSe) - the heaviest heteronuclear diatomic group 16-16 molecule. Potential energy curves of several spin-excluded (Λ-S) electronic states of TeSe have been constructed and spectroscopic constants of low-lying bound Λ-S states within 3.85 eV are reported in the first stage of calculations. The X(3)Σ(-), a(1)Δ and b(1)Σ(+) are found as the ground, first excited and second excited state, respectively, at the Λ-S level and all these three states are mainly dominated by …π(4)π(*2) configuration. The computed ground state dissociation energy is in very good agreement with the experimental results. In the next stage of calculations, effects of spin-orbit coupling on the potential energy curves and spectroscopic properties of the species are investigated in details and compared with the existing experimental results. After inclusion of spin-orbit coupling the X(3)(1)Σ(-)(0(+)) is found as the ground-state spin component of TeSe. The computed spin-orbit splitting between two components of X(3)Σ(-) state is 1285 cm(-1). Also, significant amount of spin-orbit splitting are found between spin-orbit components (Ω-components) of several other excited states. Transition moments of some important spin-allowed and spin-forbidden transitions are calculated from configuration interaction wave functions. The spin-allowed transition B(3)Σ(-)-X(3)Σ(-) and spin-forbidden transition b(1)Σ(+)(0(+))-X(3)(1)Σ(-)(0(+)) are found to be the strongest in their respective categories. Electric dipole moments of all the bound Λ-S states along with those of the two Ω-components of X(3)Σ(-) are also calculated in the present study. Copyright © 2014 Elsevier B.V. All rights reserved.

Spectroscopy of the 1/2 2S → 3/2 2P transition in Yb ii: Isotope shifts, hyperfine splitting, and branching ratios

NASA Astrophysics Data System (ADS)

Feldker, T.; Fürst, H.; Ewald, N. V.; Joger, J.; Gerritsma, R.

2018-03-01

We report on spectroscopic results on the 1/2 2S → 3/2 2P transition in single trapped Yb+ ions. We measure the isotope shifts for all stable Yb+ isotopes except +173Yb, as well as the hyperfine splitting of the 3/2 2P state in +171Yb. Our results are in agreement with previous measurements but are a factor of 5-9 more precise. For the hyperfine constant A (3/2 2P)=875.4 (10 )MHz our results also agree with previous measurements but deviate significantly from theoretical predictions. We present experimental results on the branching ratios for the decay of the 3/2 2P state. We find branching fractions for the decay to the 3/2 2D state and 5/2 2D state of 0.17(1)% and 1.08(5)%, respectively, in rough agreement with theoretical predictions. Furthermore, we measured the isotope shifts of the 7/2 2F →1D[5/2 ] 5 /2 transition and determine the hyperfine structure constant for the 1D[5/2 ] 5 /2 state in +171Yb to be A (1D[5/2 ] 5 /2)=-107 (6 ) MHz .

Safety factor profiles from spectral motional Stark effect for ITER applications

NASA Astrophysics Data System (ADS)

Ko, Jinseok; Chung, Jinil; Wi, Han Min

2017-10-01

Depositions on the first mirror and multiple reflections on the other mirrors in the labyrinth of the optical system in the motional Stark effect (MSE) diagnostic for ITER are regarded as one of the main obstacles to overcome. One of the alternatives to the present-day conventional photoelastic-modulation-based MSE principles is the spectroscopic analyses on the motional Stark emissions where either the ratios among individual Stark multiplets or the amount of the Stark split are measured based on precise and accurate atomic data and models to ultimately provide the critical internal constraints in the magnetic equilibrium reconstruction. Equipped with the PEM-based conventional MSE hardware since 2015, the KSTAR MSE diagnostic system is capable of investigating the feasibility of the spectroscopic MSE approach particularly via comparative studies with the PEM approach. Available atomic data and models are used to analyze the beam emission spectra with a high-spectral-resolution spectrometer with a patent-pending dispersion calibration technology. Experimental validation on the atomic data and models is discussed in association with the effect of the existence of mirrors, the Faraday rotation in the relay optics media, and the background polarized light on the measured spectra. Work supported by the Ministry of Science, ICT and Future Planning, Korea.

Rotational spectrum of 14N 2 · H 35Cl and 14N 2 · H 37Cl: electric field gradients at the nitrogen nuclei

NASA Astrophysics Data System (ADS)

Kisiel, Z.; Pszczólkowski, L.; Fowler, P. W.; Legon, A. C.

1997-09-01

Rotational spectra of the most abundant isotopic species of the weakly bound dimer formed between dinitrogen and hydrogen chloride were investigated. Spectroscopic constants for 14N 2 · H 37Cl were determined for the first time and those for 14N 2 · H 35Cl improved. Analysis of observed nuclear quadrupole spliting patterns within the framework of coupling of three nonequivalent nuclear spins allowed determination of splitting constants for both nuclei in the complexed dinitrogen molecule. Electric field gradient calculations at the SCF supermolecule level for the dimer are presented and account for the observed values of the nitrogen splitting constants.

Quasi-particle spectrum in trilayer graphene: Role of onsite coulomb interaction and interlayer coupling

NASA Astrophysics Data System (ADS)

Kumar, Sanjay; Ajay

2015-01-01

Stacking dependent quasi-particle spectrum and density of states (DOS) in trilayer (ABC-, ABA- and AAA-stacked) graphene are analyzed using mean-field Green's function equations of motion method. Interlayer coupling (t1) is found to be responsible for the splitting of quasi-particle peaks in each stacking order. Coulomb interaction suppresses the trilayer splitting and generates a finite gap at Fermi level in ABC- while a tiny gap in ABA-stacked trilayer graphene. Influence of t⊥ is prominent for AAA-stacking as compared to ABC- and ABA-stacking orders. The theoretically obtained quasi-particle energies and DOS has been viewed in terms of recent angle resolved photoemission spectroscopic (ARPES) and scanning tunneling microscopic (STM) data available on these systems.

Magnetoinfrared spectroscopy of Landau levels and Zeeman splitting of three-dimensional massless Dirac Fermions in ZrTe 5

DOE PAGES

R. Y. Chen; Gu, G. D.; Chen, Z. G.; ...

2015-10-22

We present a magnetoinfrared spectroscopy study on a newly identified three-dimensional (3D) Dirac semimetal ZrTe 5. We observe clear transitions between Landau levels and their further splitting under a magnetic field. Both the sequence of transitions and their field dependence follow quantitatively the relation expected for 3D massless Dirac fermions. The measurement also reveals an exceptionally low magnetic field needed to drive the compound into its quantum limit, demonstrating that ZrTe 5 is an extremely clean system and ideal platform for studying 3D Dirac fermions. The splitting of the Landau levels provides direct, bulk spectroscopic evidence that a relatively weakmore » magnetic field can produce a sizable Zeeman effect on the 3D Dirac fermions, which lifts the spin degeneracy of Landau levels. As a result, our analysis indicates that the compound evolves from a Dirac semimetal into a topological line-node semimetal under the current magnetic field configuration.« less

Mediator- and co-catalyst-free direct Z-scheme composites of Bi2WO6-Cu3P for solar-water splitting.

PubMed

Rauf, Ali; Ma, Ming; Kim, Sungsoon; Sher Shah, Md Selim Arif; Chung, Chan-Hwa; Park, Jong Hyeok; Yoo, Pil J

2018-02-08

Exploring new single, active photocatalysts for solar-water splitting is highly desirable to expedite current research on solar-chemical energy conversion. In particular, Z-scheme-based composites (ZBCs) have attracted extensive attention due to their unique charge transfer pathway, broader redox range, and stronger redox power compared to conventional heterostructures. In the present report, we have for the first time explored Cu 3 P, a new, single photocatalyst for solar-water splitting applications. Moreover, a novel ZBC system composed of Bi 2 WO 6 -Cu 3 P was designed employing a simple method of ball-milling complexation. The synthesized materials were examined and further investigated through various microscopic, spectroscopic, and surface area characterization methods, which have confirmed the successful hybridization between Bi 2 WO 6 and Cu 3 P and the formation of a ZBC system that shows the ideal position of energy levels for solar-water splitting. Notably, the ZBC composed of Bi 2 WO 6 -Cu 3 P is a mediator- and co-catalyst-free photocatalyst system. The improved photocatalytic efficiency obtained with this system compared to other ZBC systems assisted by mediators and co-catalysts establishes the critical importance of interfacial solid-solid contact and the well-balanced position of energy levels for solar-water splitting. The promising solar-water splitting under optimum composition conditions highlighted the relationship between effective charge separation and composition.

Spectroscopic Doppler analysis for visible-light optical coherence tomography

NASA Astrophysics Data System (ADS)

Shu, Xiao; Liu, Wenzhong; Duan, Lian; Zhang, Hao F.

2017-12-01

Retinal oxygen metabolic rate can be effectively measured by visible-light optical coherence tomography (vis-OCT), which simultaneously quantifies oxygen saturation and blood flow rate in retinal vessels through spectroscopic analysis and Doppler measurement, respectively. Doppler OCT relates phase variation between sequential A-lines to the axial flow velocity of the scattering medium. The detectable phase shift is between -π and π due to its periodicity, which limits the maximum measurable unambiguous velocity without phase unwrapping. Using shorter wavelengths, vis-OCT is more vulnerable to phase ambiguity since flow induced phase variation is linearly related to the center wavenumber of the probing light. We eliminated the need for phase unwrapping using spectroscopic Doppler analysis. We split the whole vis-OCT spectrum into a series of narrow subbands and reconstructed vis-OCT images to extract corresponding Doppler phase shifts in all the subbands. Then, we quantified flow velocity by analyzing subband-dependent phase shift using linear regression. In the phantom experiment, we showed that spectroscopic Doppler analysis extended the measurable absolute phase shift range without conducting phase unwrapping. We also tested this method to quantify retinal blood flow in rodents in vivo.

Spectroscopic Characterization of the Water Oxidation Intermediates in the Blue Dimer Ru-Based Catalyst for Artificial Photosynthesis

NASA Astrophysics Data System (ADS)

Moonshiram, Dooshaye; Pushkar, Yulia; Jurss, Jonah; Concepcion, Javier; Meyer, Thomas; Zakharova, Taisiya; Alperovich, Igor

2012-02-01

Utilization of sunlight requires solar capture, light-to-energy conversion and storage. One effective way to store energy is to convert it into chemical energy by fuel-forming reactions, such as water splitting into hydrogen and oxygen. Ruthenium complexes are among few molecular-defined catalysts capable of water splitting. Mechanistic insights about such catalysts can be acquired by spectroscopic analysis of short-lived intermediates of catalytic water oxidation. Use of techniques such as EPR and X-ray absorption spectroscopy (XAS) are used to determine electronic requirements of catalytic water oxidation. About 30 years ago Meyer and coworkers reported first ruthenium-based catalyst for water oxidation, the ``blue dimer''. We performed EPR studies and characterized structures and electronic configurations of intermediates of water oxidation by the ``blue dimer''. Intermediates were prepared chemically by oxidation of Ru-complexes with defined number of Ce (IV) equivalents and freeze-quenched at controlled times. Changes in oxidation state of Ru atom were detected by XANES at Ru K-edges. K-edges are sensitive to changes in Ru oxidation state for Blue Dimer [3,3]^4+, [3,4]^4+, [3,4]'^4+ and [4,5]^3+ allowing a clear assignment of Ru oxidation state in intermediates. EXAFS demonstrated structural changes.

Spin pumping and inverse Rashba-Edelstein effect in NiFe/Ag/Bi and NiFe/Ag/Sb

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

Zhang, Wei; Jungfleisch, Matthias B.; Jiang, Wanjun

2015-03-20

The Rashba effect is an interaction between the spin and the momentum of electrons induced by the spin-orbit coupling in surface or interface states. Here, we measured the inverse Rashba-Edelstein effect via spin pumping in Ag/Bi and Ag/Sb interfaces. The spin current is injected from the ferromagnetic resonance of a NiFe layer towards the Rashba interfaces, where it is further converted into a charge current. While using spin pumping theory, we quantify the conversion parameter of spin to charge current to be 0.11 ± 0.02 nm for Ag/Bi and a factor of ten smaller for Ag/Sb. Furthermore, the relative strengthmore » of the effect is in agreement with spectroscopic measurements and first principles calculations. The spin pumping experiment offers a straight-forward approach of using spin current as an efficient probe for detecting interface Rashba splitting.« less

Bad splits in bilateral sagittal split osteotomy: systematic review and meta-analysis of reported risk factors.

PubMed

Steenen, S A; van Wijk, A J; Becking, A G

2016-08-01

An unfavourable and unanticipated pattern of the bilateral sagittal split osteotomy (BSSO) is generally referred to as a 'bad split'. Patient factors predictive of a bad split reported in the literature are controversial. Suggested risk factors are reviewed in this article. A systematic review was undertaken, yielding a total of 30 studies published between 1971 and 2015 reporting the incidence of bad split and patient age, and/or surgical technique employed, and/or the presence of third molars. These included 22 retrospective cohort studies, six prospective cohort studies, one matched-pair analysis, and one case series. Spearman's rank correlation showed a statistically significant but weak correlation between increasing average age and increasing occurrence of bad splits in 18 studies (ρ=0.229; P<0.01). No comparative studies were found that assessed the incidence of bad split among the different splitting techniques. A meta-analysis pooling the effect sizes of seven cohort studies showed no significant difference in the incidence of bad split between cohorts of patients with third molars present and concomitantly removed during surgery, and patients in whom third molars were removed at least 6 months preoperatively (odds ratio 1.16, 95% confidence interval 0.73-1.85, Z=0.64, P=0.52). In summary, there is no robust evidence to date to show that any risk factor influences the incidence of bad split. Copyright © 2016 International Association of Oral and Maxillofacial Surgeons. Published by Elsevier Ltd. All rights reserved.

One-dimensional Multi-channel Photonic Crystal Resonators based on Silicon-On-Insulator with High Quality Factor

NASA Astrophysics Data System (ADS)

Faneca, Joaquin; Perova, Tatiana S.; Tolmachev, Vladimir; Baldycheva, Anna

2018-05-01

We have theoretically and experimentally demonstrated a Fabry-Pérot (FP) resonators based on a Si-air one-dimensional photonic crystal (1D PhC) with coupled triple-cavity modes (or defects). These defects are obtained by filling selected air channels in the 1D PhC with an actively reconfigurable fluid. Simulations of the optical properties of these FP resonators were performed in the wide infrared spectral range. It is shown that by changing the refractive index, nc, of the fluid simultaneously in all three channels, a set of narrow triple resonance peaks can be obtained within wide stop-bands of different order in the infrared range. In addition, at certain values of nc, splitting of the triple resonance peaks into a doublet and a single peak with a significantly larger quality factor, Q=21200, occurs. Prototype devices based on Silicon-On-Insulator platform were fabricated and characterized by electro-optical and spectroscopic measurements. The electro-optical measurements demonstrate the possibility of refractive index manipulation of the filler in the FP channels individually or simultaneously. Spectroscopic measurements performed in the range 1540 – 1630 nm using fibre-coupling confirm the presence of triple resonance peaks in the 3rd stop-band in the absence of an electric field applied to the FP channels. At an applied voltage of 10 V to the middle channel, an increase of Q to 3720 in the single peak is registered which is the highest Q demonstrated in SOI based 1D PhC to date.

Transition Dipole Moments and Transition Probabilities of the CN Radical

NASA Astrophysics Data System (ADS)

Yin, Yuan; Shi, Deheng; Sun, Jinfeng; Zhu, Zunlue

2018-04-01

This paper studies the transition probabilities of electric dipole transitions between 10 low-lying states of the CN radical. These states are X2Σ+, A2Π, B2Σ+, a4Σ+, b4Π, 14Σ‑, 24Π, 14Δ, 16Σ+, and 16Π. The potential energy curves are calculated using the CASSCF method, which is followed by the icMRCI approach with the Davidson correction. The transition dipole moments between different states are calculated. To improve the accuracy of potential energy curves, core–valence correlation and scalar relativistic corrections, as well as the extrapolation of potential energies to the complete basis set limit are included. The Franck–Condon factors and Einstein coefficients of emissions are calculated. The radiative lifetimes are determined for the vibrational levels of the A2Π, B2Σ+, b4Π, 14Σ‑, 24Π, 14Δ, and 16Π states. According to the transition probabilities and radiative lifetimes, some guidelines for detecting these states spectroscopically are proposed. The spin–orbit coupling effect on the spectroscopic and vibrational properties is evaluated. The splitting energy in the A2Π state is determined to be 50.99 cm‑1, which compares well with the experimental ones. The potential energy curves, transition dipole moments, spectroscopic parameters, and transition probabilities reported in this paper can be considered to be very reliable. The results obtained here can be used as guidelines for detecting these transitions, in particular those that have not been measured in previous experiments or have not been observed in the Sun, comets, stellar atmospheres, dark interstellar clouds, and diffuse interstellar clouds.

TMD splitting functions in [Formula: see text] factorization: the real contribution to the gluon-to-gluon splitting.

PubMed

Hentschinski, M; Kusina, A; Kutak, K; Serino, M

2018-01-01

We calculate the transverse momentum dependent gluon-to-gluon splitting function within [Formula: see text]-factorization, generalizing the framework employed in the calculation of the quark splitting functions in Hautmann et al. (Nucl Phys B 865:54-66, arXiv:1205.1759, 2012), Gituliar et al. (JHEP 01:181, arXiv:1511.08439, 2016), Hentschinski et al. (Phys Rev D 94(11):114013, arXiv:1607.01507, 2016) and demonstrate at the same time the consistency of the extended formalism with previous results. While existing versions of [Formula: see text] factorized evolution equations contain already a gluon-to-gluon splitting function i.e. the leading order Balitsky-Fadin-Kuraev-Lipatov (BFKL) kernel or the Ciafaloni-Catani-Fiorani-Marchesini (CCFM) kernel, the obtained splitting function has the important property that it reduces both to the leading order BFKL kernel in the high energy limit, to the Dokshitzer-Gribov-Lipatov-Altarelli-Parisi (DGLAP) gluon-to-gluon splitting function in the collinear limit as well as to the CCFM kernel in the soft limit. At the same time we demonstrate that this splitting kernel can be obtained from a direct calculation of the QCD Feynman diagrams, based on a combined implementation of the Curci-Furmanski-Petronzio formalism for the calculation of the collinear splitting functions and the framework of high energy factorization.

Mode-splitting of a non-polarizing guided mode resonance filter by substrate overetching effect

NASA Astrophysics Data System (ADS)

Saleem, Muhammad Rizwan; Honkanen, Seppo; Turunen, Jari

2014-03-01

We investigate substrate overetch effect on resonance properties of sub-wavelength titanium oxide (TiO2) Guided Mode Resonance Filters (TiO2-GMRFs). The TiO2-GMRF is designed and fabricated to possess a non-polarizing behavior, which is strongly dependent on substrate (fused silica) overetch depth. For non-polarizing gratings at resonance, TE- and TM-modes have the same propagation constants. However, an overetch substrate effect results in splitting of the degenerate modes, which is studied theoretically and experimentally. The TiO2-SiO2 GMRFs are designed by Fourier Modal method (FMM) based on the rigorous calculation of electromagnetic diffraction theory at a designed wavelength of 850 nm. The TiO2-SiO2 gratings are fabricated by Atomic Layer Deposition (ALD), Electron Beam Lithography (EBL), and Reactive Ion Etching (RIE), and they are subsequently characterized structurally by Scanning Electron Microscopy (SEM) and optically by a spectroscopic ellipsometer. Several grating samples are fabricated by gradually increasing the overetch depth into fused silica and measuring the extent of TE- and TM-mode-splitting. A close agreement between the calculated and experimentally measured resonance wavelength spectral shift is found to describe the mode splitting of non-polarizing gratings.

Characterization of plasmonic effects in thin films and metamaterials using spectroscopic ellipsometry

NASA Astrophysics Data System (ADS)

Oates, T. W. H.; Wormeester, H.; Arwin, H.

2011-12-01

In this article, spectroscopic ellipsometry studies of plasmon resonances at metal-dielectric interfaces of thin films are reviewed. We show how ellipsometry provides valuable non-invasive amplitude and phase information from which one can determine the effective dielectric functions, and how these relate to the material nanostructure and define exactly the plasmonic characteristics of the system. There are three related plasmons that are observable using spectroscopic ellipsometry; volume plasmon resonances, surface plasmon polaritons and particle plasmon resonances. We demonstrate that the established method of exploiting surface plasmon polaritons for chemical and biological sensing may be enhanced using the ellipsometric phase information and provide a comprehensive theoretical basis for the technique. We show how the particle and volume plasmon resonances in the ellipsometric spectra of nanoparticle films are directly related to size, surface coverage and constituent dielectric functions of the nanoparticles. The regularly observed splitting of the particle plasmon resonance is theoretically described using modified effective medium theories within the framework of ellipsometry. We demonstrate the wealth of information available from real-time in situ spectroscopic ellipsometry measurements of metal film deposition, including the evolution of the plasmon resonances and percolation events. Finally, we discuss how generalized and Mueller matrix ellipsometry hold great potential for characterizing plasmonic metamaterials and sub-wavelength hole arrays.

Determination of deuteron quadrupole moment from calculations of the electric field gradient in D{sub 2} and HD

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

Pavanello, Michele; Tung Weicheng; Adamowicz, Ludwik

2010-04-15

We have carried out an accurate determination of the quadrupole moment of the deuteron nucleus. The evaluation of the constant is achieved by combining high accuracy Born-Oppenheimer calculations of the electric field gradient at the nucleus in the H{sub 2} molecule with spectroscopic measurements of the quadrupolar splitting in D{sub 2} and HD. The derived value is Q=0.285783(30) fm{sup 2}.

Direct observation of the discrete energy spectrum of two lanthanide-based single-chain magnets by far-infrared spectroscopy

NASA Astrophysics Data System (ADS)

Haas, Sabrina; Heintze, Eric; Zapf, Sina; Gorshunov, Boris; Dressel, Martin; Bogani, Lapo

2014-05-01

The far-infrared optical transmission has been studied for two lanthanide-based single-chain magnets DyPhOPh and TbPhOPh in the frequency range between 3 and 80 cm-1. The spectra were acquired at temperatures between 2 and 80 K and magnetic fields up to 6 T. Based on their magnetic field dependence in DyPhOPh two of the observed absorption lines are identified as transitions inside the crystal field split Dy3+ ground multiplet 6H15/2, coupled to the neighboring spins. In TbPhOPh one transition was observed inside the crystal-field-split Tb3+ ground multiplet 7F6. The results allow a spectroscopic investigation of the role of single-ion anisotropy and exchange in Glauber dynamics.

Structural sensitivity of Csbnd H vibrational band in methyl benzoate

NASA Astrophysics Data System (ADS)

Roy, Susmita; Maiti, Kiran Sankar

2018-05-01

The Csbnd H vibrational bands of methyl benzoate are studied to understand its coupling pattern with other vibrational bands of the biological molecule. This will facilitate to understand the biological structure and dynamics in spectroscopic as well as in microscopic study. Due to the congested spectroscopic pattern, near degeneracy, and strong anharmonicity of the Csbnd H stretch vibrations, assignment of the Csbnd H vibrational frequencies are often misleading. Anharmonic vibrational frequency calculation with multidimensional potential energy surface interprets the Csbnd H vibrational spectra more accurately. In this article we have presented the importance of multidimensional potential energy surface in anharmonic vibrational frequency calculation and discuss the unexpected red shift of asymmetric Csbnd H stretch vibration of methyl group. The Csbnd D stretch vibrational band which is splitted to double peaks due to the Fermi resonance is also discussed here.

THE HYPERFINE STRUCTURE OF THE ROTATIONAL SPECTRUM OF HDO AND ITS EXTENSION TO THE THz REGION: ACCURATE REST FREQUENCIES AND SPECTROSCOPIC PARAMETERS FOR ASTROPHYSICAL OBSERVATIONS

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

Cazzoli, Gabriele; Lattanzi, Valerio; Puzzarini, Cristina

2015-06-10

The rotational spectrum of the mono-deuterated isotopologue of water, HD{sup 16}O, has been investigated in the millimeter- and submillimeter-wave frequency regions, up to 1.6 THz. The Lamb-dip technique has been exploited to obtain sub-Doppler resolution and to resolve the hyperfine (hf) structure due to the deuterium and hydrogen nuclei, thus enabling the accurate determination of the corresponding hf parameters. Their experimental determination has been supported by high-level quantum-chemical calculations. The Lamb-dip measurements have been supplemented by Doppler-limited measurements (weak high-J and high-frequency transitions) in order to extend the predictive capability of the available spectroscopic constants. The possibility of resolving hfmore » splittings in astronomical spectra has been discussed.« less

Breakup effects on alpha spectroscopic factors of 16O

NASA Astrophysics Data System (ADS)

Adhikari, S.; Basu, C.; Sugathan, P.; Jhinghan, A.; Behera, B. R.; Saneesh, N.; Kaur, G.; Thakur, M.; Mahajan, R.; Dubey, R.; Mitra, A. K.

2017-01-01

The triton angular distribution for the 12C(7Li,t)16O* reaction is measured at 20 MeV, populating discrete states of 16O. Continuum discretized coupled reaction channel calculations are used to to extract the alpha spectroscopic properties of 16O states instead of the distorted wave born approximation theory to include the effects of breakup on the transfer process. The alpha reduced width, spectroscopic factors and the asymptotic normalization constant (ANC) of 16O states are extracted. The error in the spectroscopic factor is about 35% and in that of the ANC about 27%.

Spectroscopic studies of two spectral variants of light-harvesting complex 2 (LH2) from the photosynthetic purple sulfur bacterium Allochromatium vinosum.

PubMed

Niedzwiedzki, Dariusz M; Bina, David; Picken, Nichola; Honkanen, Suvi; Blankenship, Robert E; Holten, Dewey; Cogdell, Richard J

2012-09-01

Two spectral forms of the peripheral light-harvesting complex (LH2) from the purple sulfur photosynthetic bacterium Allochromatium vinosum were purified and their photophysical properties characterized. The complexes contain bacteriochlorophyll a (BChl a) and multiple species of carotenoids. The composition of carotenoids depends on the light conditions applied during growth of the cultures. In addition, LH2 grown under high light has a noticeable split of the B800 absorption band. The influence of the change of carotenoid distribution as well as the spectral change of the excitonic absorption of the bacteriochlorophylls on the light-harvesting ability was studied using steady-state absorption, fluorescence and femtosecond time-resolved absorption at 77K. The results demonstrate that the change of the distribution of the carotenoids when cells were grown at low light adapts the absorptive properties of the complex to the light conditions and maintains maximum photon-capture performance. In addition, an explanation for the origin of the enigmatic split of the B800 absorption band is provided. This spectral splitting is also observed in LH2 complexes from other photosynthetic sulfur purple bacterial species. According to results obtained from transient absorption spectroscopy, the B800 band split originates from two spectral forms of the associated BChl a monomeric molecules bound within the same complex. Copyright © 2012 Elsevier B.V. All rights reserved.

Split-plot microarray experiments: issues of design, power and sample size.

PubMed

Tsai, Pi-Wen; Lee, Mei-Ling Ting

2005-01-01

This article focuses on microarray experiments with two or more factors in which treatment combinations of the factors corresponding to the samples paired together onto arrays are not completely random. A main effect of one (or more) factor(s) is confounded with arrays (the experimental blocks). This is called a split-plot microarray experiment. We utilise an analysis of variance (ANOVA) model to assess differentially expressed genes for between-array and within-array comparisons that are generic under a split-plot microarray experiment. Instead of standard t- or F-test statistics that rely on mean square errors of the ANOVA model, we use a robust method, referred to as 'a pooled percentile estimator', to identify genes that are differentially expressed across different treatment conditions. We illustrate the design and analysis of split-plot microarray experiments based on a case application described by Jin et al. A brief discussion of power and sample size for split-plot microarray experiments is also presented.

Element Specific Spin and Orbital Moments in Fe1-x Vx Alloys

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

Guan, Y.; Scheck, C; Bailey, W

2009-01-01

We present transmission-mode X-ray magnetic circular dichroism (XMCD) measurements of element-specific magnetic moments for Fe and V at the L2,3 edges in polycrystalline Fe1-xVx ultrathin films. We find that the orbital-to-spin moment ratio of Fe does not change within experimental error. The V XMCD is not very informative, and a nearly pure-spin type V impurity moment ({approx}1.0 {mu}{sub B}/atom, antiparallel to the Fe host moment) is assumed to match known magnetization data. Data are further reduced to a two-sublattice model and found to be compatible with known spectroscopic splitting g-factor data in the alloy. The results confirm that the verymore » low Gilbert damping, attained through the introduction of V into epitaxial Fe1-xVx films and found by ferromagnetic resonance (FMR), does not result from the reduction of orbital moment content in the alloy.« less

The opto-mechanical design of HARMONI: a first light integral field spectrograph for the E-ELT

NASA Astrophysics Data System (ADS)

Thatte, Niranjan A.; Tecza, Mathias; Freeman, David; Gallie, Angus M.; Montgomery, David; Clarke, Fraser; Fragoso-Lopez, Ana Belén.; Fuentes, Javier; Gago, Fernando; Garcia, Adolfo; Gracia, Felix; Kosmalski, Johan; Lynn, James; Sosa, Dario; Arribas, Santiago; Bacon, Roland; Davies, Roger L.; Fusco, Thierry; Lunney, David; Mediavilla, Evencio; Remillieux, Alban; Schnetler, Hermine

2012-09-01

HARMONI is a visible and near-IR integral field spectrograph, providing the E-ELT's spectroscopic capability at first light. It obtains simultaneous spectra of 32000 spaxels, at a range of resolving powers from R~4000 to R~20000, covering the wavelength range from 0.47 to 2.45 μm. The 256 × 128 spaxel field of view has four different plate scales, with the coarsest scale (40 mas) providing a 5″ × 10″ FoV, while the finest scale is a factor of 10 finer (4mas). We describe the opto-mechanical design of HARMONI, prior to the start of preliminary design, including the main subsystems - namely the image de-rotator, the scale-changing optics, the splitting and slicing optics, and the spectrographs. We also present the secondary guiding system, the pupil imaging optics, the field and pupil stops, the natural guide star wavefront sensor, and the calibration unit.

Raman and infrared spectroscopic investigations of a ferroelastic phase transition in B a2ZnTe O6 double perovskite

NASA Astrophysics Data System (ADS)

Moreira, Roberto L.; Lobo, Ricardo P. S. M.; Ramos, Sérgio L. L. M.; Sebastian, Mailadil T.; Matinaga, Franklin M.; Righi, Ariete; Dias, Anderson

2018-05-01

The low-temperature vibrational properties of B a2ZnTe O6 double-perovskite ceramics obtained by the solid-state route were investigated by Raman scattering and Fourier-transform infrared reflectivity. We found that this material undergoes a reversible ferroelastic phase transition at around 140 K, well compatible with a recently proposed rhombohedral-to-monoclinic structural change that would occur below 165 K. Complementary calorimetric measurements showed that the phase transition has a first-order character, with an entropy jump compatible with a displacive mechanism. The vibrational spectra show clearly the splitting of the doubly degenerate E modes into nondegenerate representations of the low-symmetry phase. In particular, the lowest-frequency Raman mode presents soft-mode behavior and splits below the critical temperature, confirming the in-plane ferroelastic deformation in the low-temperature phase.

Neutron Spectroscopic Factors from Transfer Reactions

NASA Astrophysics Data System (ADS)

Lee, Jenny; Tsang, M. B.

2007-05-01

We have extracted the ground state to ground state neutron spectroscopic factors for 80 nuclei ranging in Z from 3 to 24 by analyzing the past measurements of the angular distributions from (d,p) and (p,d) reactions. We demonstrate an approach that provides systematic and consistent values with a minimum of assumptions. A three-body model with global optical potentials and standard geometry of n-potential is applied. For the 60 nuclei where modern shell model calculations are available, such analysis reproduces, to within 20%, the experimental spectroscopic factors for most nuclei. If we constraint the nucleon-target optical potential and the geometries of the bound neutron-wave function with the modern Hartree-Fock calculations, our deduced neutron spectroscopic factors are reduced by 30% on average.

Bad split during bilateral sagittal split osteotomy of the mandible with separators: a retrospective study of 427 patients.

PubMed

Mensink, Gertjan; Verweij, Jop P; Frank, Michael D; Eelco Bergsma, J; Richard van Merkesteyn, J P

2013-09-01

An unfavourable fracture, known as a bad split, is a common operative complication in bilateral sagittal split osteotomy (BSSO). The reported incidence ranges from 0.5 to 5.5%/site. Since 1994 we have used sagittal splitters and separators instead of chisels for BSSO in our clinic in an attempt to prevent postoperative hypoaesthesia. Theoretically an increased percentage of bad splits could be expected with this technique. In this retrospective study we aimed to find out the incidence of bad splits associated with BSSO done with splitters and separators. We also assessed the risk factors for bad splits. The study group comprised 427 consecutive patients among whom the incidence of bad splits was 2.0%/site, which is well within the reported range. The only predictive factor for a bad split was the removal of third molars at the same time as BSSO. There was no significant association between bad splits and age, sex, class of occlusion, or the experience of the surgeon. We think that doing a BSSO with splitters and separators instead of chisels does not increase the risk of a bad split, and is therefore safe with predictable results. Copyright © 2012 The British Association of Oral and Maxillofacial Surgeons. Published by Elsevier Ltd. All rights reserved.

Evaluation of a New 1H/31P Dual-Tuned Birdcage Coil for 31P Spectroscopy

PubMed Central

Potter, WM; Wang, L; McCully, KK; Zhao, Q

2013-01-01

We introduce a new dual-tuned Hydrogen/Phosphorus (1H/31P) birdcage coil, referred to as split birdcage coil, and evaluate its performance using both simulations and magnetic resonance (MR) experiments on a 3 T MR scanner. The proposed coil simplifies the practical matters of tuning and matching, which makes the coil easily reproducible. Simulations were run with the Finite Difference in Time Domain (FDTD) method to evaluate the sensitivity and homogeneity of the magnetic field generated by the proposed 1H coils. Following simulations, MR experiments were conducted using both a phantom and human thigh to compare the proposed design with a currently available commercial dual-tuned flexible surface coil, referred to as flex surface coil, for signal to noise ratio (SNR) as well as homogeneity for the 31P coil. At regions deep within the human thigh, the split birdcage coil was able to acquire spectroscopic signal with a higher average SNR than the flex surface coil. For all regions except those close to the flex surface coil, the split birdcage coil matched or exceeded the performance of the flex surface coil. PMID:24039555

Fermi level position, Coulomb gap, and Dresselhaus splitting in (Ga,Mn)As

NASA Astrophysics Data System (ADS)

Souma, S.; Chen, L.; Oszwałdowski, R.; Sato, T.; Matsukura, F.; Dietl, T.; Ohno, H.; Takahashi, T.

2016-06-01

Carrier-induced nature of ferromagnetism in a ferromagnetic semiconductor, (Ga,Mn)As, offers a great opportunity to observe novel spin-related phenomena as well as to demonstrate new functionalities of spintronic devices. Here, we report on low-temperature angle-resolved photoemission studies of the valence band in this model compound. By a direct determination of the distance of the split-off band to the Fermi energy EF we conclude that EF is located within the heavy/light hole band. However, the bands are strongly perturbed by disorder and disorder-induced carrier correlations that lead to the Coulomb gap at EF, which we resolve experimentally in a series of samples, and show that its depth and width enlarge when the Curie temperature decreases. Furthermore, we have detected surprising linear magnetic dichroism in photoemission spectra of the split-off band. By a quantitative theoretical analysis we demonstrate that it arises from the Dresselhaus-type spin-orbit term in zinc-blende crystals. The spectroscopic access to the magnitude of such asymmetric part of spin-orbit coupling is worthwhile, as they account for spin-orbit torque in spintronic devices of ferromagnets without inversion symmetry.

Fermi level position, Coulomb gap, and Dresselhaus splitting in (Ga,Mn)As

PubMed Central

Souma, S.; Chen, L.; Oszwałdowski, R.; Sato, T.; Matsukura, F.; Dietl, T.; Ohno, H.; Takahashi, T.

2016-01-01

Carrier-induced nature of ferromagnetism in a ferromagnetic semiconductor, (Ga,Mn)As, offers a great opportunity to observe novel spin-related phenomena as well as to demonstrate new functionalities of spintronic devices. Here, we report on low-temperature angle-resolved photoemission studies of the valence band in this model compound. By a direct determination of the distance of the split-off band to the Fermi energy EF we conclude that EF is located within the heavy/light hole band. However, the bands are strongly perturbed by disorder and disorder-induced carrier correlations that lead to the Coulomb gap at EF, which we resolve experimentally in a series of samples, and show that its depth and width enlarge when the Curie temperature decreases. Furthermore, we have detected surprising linear magnetic dichroism in photoemission spectra of the split-off band. By a quantitative theoretical analysis we demonstrate that it arises from the Dresselhaus-type spin-orbit term in zinc-blende crystals. The spectroscopic access to the magnitude of such asymmetric part of spin-orbit coupling is worthwhile, as they account for spin-orbit torque in spintronic devices of ferromagnets without inversion symmetry. PMID:27265402

Tablet splitting of a narrow therapeutic index drug: a case with levothyroxine sodium.

PubMed

Shah, Rakhi B; Collier, Jarrod S; Sayeed, Vilayat A; Bryant, Arthur; Habib, Muhammad J; Khan, Mansoor A

2010-09-01

Levothyroxine is a narrow therapeutic index, and to avoid adverse effect associated with under or excessive dosage, the dose response is carefully titrated. The tablets are marketed with a score providing an option to split. However, there are no systematic studies evaluating the effect of splitting on dose accuracy, and current study was undertaken to evaluate effects of splitting and potential causes for uniformity failures by measuring assay and content uniformity in whole and split tablets. Stability was evaluated by assaying drug for a period of 8 weeks. Effect of formulation factors on splittability was evaluated by a systematic investigation of formulation factors by preparing levothyroxine tablets in house by varying the type of excipients (binder, diluent, disintegrant, glidant) or by varying the processing factors (granulating liquid, mixing type, compression pressure). The tablets were analyzed using novel analytical tool such as near infrared chemical imaging to visualize the distribution of levothyroxine. Assay was not significantly different for whole versus split tablets irrespective of method of splitting (hand or splitter), and splitting also had no measurable impact on the stability. Split tablets either by hand or splitter showed higher rate of content uniformity failures as compared to whole tablets. Tablet splitter produced more fragmentation and, hence, more content uniformity and friability failures. Chemical imaging data revealed that the distribution of levothyroxine was heterogeneous and was dependent on type of binder and the process used in the manufacture of tablets. Splitting such tablets could prove detrimental if sub- or super-potency becomes an issue.

Structure-Dependent Spectroscopic Properties of Yb3+-Doped Phosphosilicate Glasses Modified by SiO₂.

PubMed

Wang, Ling; Zeng, Huidan; Yang, Bin; Ye, Feng; Chen, Jianding; Chen, Guorong; Smith, Andew T; Sun, Luyi

2017-02-28

Yb 3+ -doped phosphate glasses containing different amounts of SiO₂ were successfully synthesized by the conventional melt-quenching method. The influence mechanism of SiO₂ on the structural and spectroscopic properties was investigated systematically using the micro-Raman technique. It was worth noting that the glass with 26.7 mol % SiO₂ possessed the longest fluorescence lifetime (1.51 ms), the highest gain coefficient (1.10 ms·pm²), the maximum Stark splitting manifold of ²F 7/2 level (781 cm -1 ), and the largest scalar crystal-field N J and Yb 3+ asymmetry degree. Micro-Raman spectra revealed that introducing SiO₂ promoted the formation of P=O linkages, but broke the P=O linkages when the SiO₂ content was greater than 26.7 mol %. Based on the previous 29 Si MAS NMR experimental results, these findings further demonstrated that the formation of [SiO₆] may significantly affect the formation of P=O linkages, and thus influences the spectroscopic properties of the glass. These results indicate that phosphosilicate glasses may have potential applications as a Yb 3+ -doped gain medium for solid-state lasers and optical fiber amplifiers.

Structure-Dependent Spectroscopic Properties of Yb3+-Doped Phosphosilicate Glasses Modified by SiO2

PubMed Central

Wang, Ling; Zeng, Huidan; Yang, Bin; Ye, Feng; Chen, Jianding; Chen, Guorong; Smith, Andew T.; Sun, Luyi

2017-01-01

Yb3+-doped phosphate glasses containing different amounts of SiO2 were successfully synthesized by the conventional melt-quenching method. The influence mechanism of SiO2 on the structural and spectroscopic properties was investigated systematically using the micro-Raman technique. It was worth noting that the glass with 26.7 mol % SiO2 possessed the longest fluorescence lifetime (1.51 ms), the highest gain coefficient (1.10 ms·pm2), the maximum Stark splitting manifold of 2F7/2 level (781 cm−1), and the largest scalar crystal-field NJ and Yb3+ asymmetry degree. Micro-Raman spectra revealed that introducing SiO2 promoted the formation of P=O linkages, but broke the P=O linkages when the SiO2 content was greater than 26.7 mol %. Based on the previous 29Si MAS NMR experimental results, these findings further demonstrated that the formation of [SiO6] may significantly affect the formation of P=O linkages, and thus influences the spectroscopic properties of the glass. These results indicate that phosphosilicate glasses may have potential applications as a Yb3+-doped gain medium for solid-state lasers and optical fiber amplifiers. PMID:28772601

Shot noise as a measure of the lifetime and energy splitting of Majorana bound states

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

Lü, Hai-Feng; Guo, Zhen; Ke, Sha-Sha

We propose a scheme to measure the lifetime and energy splitting of a pair of Majorana bound states at the ends of a superconducting nanowire by using the shot noise in a dynamical channel blockade system. A quantum dot is coupled to one end of the wire and connected with two electron reservoirs. It is found that a finite Majorana energy splitting tends to produce a super-Poissonian shot noise, while Majorana relaxation process relieves the dynamical channel blockade and suppresses the noise Fano factor. When the dot energy level locates in the middle of the gap of topological superconductor, themore » Fano factor is independent on Majorana lifetime and Majorana energy splitting is thus extracted. For a finite energy splitting, we could evaluate the Majorana relaxation rate from the suppression of Fano factor. Under a realistic condition, the expected resolution of Majorana energy splitting and its relaxation rate calculated from our model are about 1μeV and 0.01−1μeV, respectively.« less

Conceptual mapping of user's queries to medical subject headings.

PubMed Central

Zieman, Y. L.; Bleich, H. L.

1997-01-01

This paper describes a way to map users' queries to relevant Medical Subject Headings (MeSH terms) used by the National Library of Medicine to index the biomedical literature. The method, called SENSE (SEarch with New SEmantics), transforms words and phrases in the users' queries into primary conceptual components and compares these components with those of the MeSH vocabulary. Similar to the way in which most numbers can be split into numerical factors and expressed as their product--for example, 42 can be expressed as 2*21, 6*7, 3*14, 2*3*7,--so most medical concepts can be split into "semantic factors" and expressed as their juxtaposition. Note that if we split 42 into its primary factors, the breakdown is unique: 2*3*7. Similarly, when we split medical concepts into their "primary semantic factors" the breakdown is also unique. For example, the MeSH term 'renovascular hypertension' can be split morphologically into reno, vascular, hyper, and tension--morphemes that can then be translated into their primary semantic factors--kidney, blood vessel, high, and pressure. By "factoring" each MeSH term in this way, and by similarly factoring the user's query, we can match query to MeSH term by searching for combinations of common factors. Unlike UMLS and other methods that match at the level of words or phrases, SENSE matches at the level of concepts; in this way, a wide variety of words and phrases that have the same meaning produce the same match. Now used in PaperChase, the method is surprisingly powerful in matching users' queries to Medical Subject Headings. PMID:9357680

Calculation of spin-spin zero-field splitting within periodic boundary conditions: Towards all-electron accuracy

NASA Astrophysics Data System (ADS)

Biktagirov, Timur; Schmidt, Wolf Gero; Gerstmann, Uwe

2018-03-01

For high-spin centers, one of the key spectroscopic fingerprints is the zero-field splitting (ZFS) addressable by electron paramagnetic resonance. In this paper, an implementation of the spin-spin contribution to the ZFS tensor within the projector augmented-wave (PAW) formalism is reported. We use a single-determinant approach proposed by M. J. Rayson and P. R. Briddon [Phys. Rev. B 77, 035119 (2008), 10.1103/PhysRevB.77.035119], and complete it by adding a PAW reconstruction term which has not been taken into account before. We benchmark the PAW approach against a well-established all-electron method for a series of diatomic radicals and defects in diamond and cubic silicon carbide. While for some of the defect centers the PAW reconstruction is found to be almost negligible, in agreement with the common assumption, we show that in general it significantly improves the calculated ZFS towards the all-electron results.

Interference evidence for Rashba-type spin splitting on a semimetallic WT e 2 surface

DOE PAGES

Li, Qing; Yan, Jiaqiang; Yang, Biao; ...

2016-09-13

Here, semimetallic tungsten ditelluride displays an extremely large nonsaturating magnetoresistance, which is thought to arise from the perfect n–p charge compensation with low carrier densities in WTe 2. We find a strong Rashba spin-orbit effect in density functional calculations due to the noncentrosymmetric structure. This lifts twofold spin degeneracy of the bands. A prominent umklapp interference pattern is observed by our scanning tunneling microscopic measurements at 4.2 K, which differs distinctly from the surface atomic structure demonstrated at 77 K. The energy dependence of umklapp interference shows a strong correspondence with densities of states integrated from ARPES measurement, manifesting amore » fact that the bands are spin-split on the opposite sides of Γ. Spectroscopic survey reveals the electron/hole asymmetry changes alternately with lateral locations along the b axis, providing a microscopic picture for double-carrier transport of semimetallic WTe 2. The conclusion is further supported by our ARPES results and Shubnikov–de Haas (SdH) oscillations measurements.« less

Spectroscopic characterization of nitroaromatic landmine signature explosives

NASA Astrophysics Data System (ADS)

Hernandez-Rivera, Samuel P.; Manrique-Bastidas, Cesar A.; Blanco, Alejandro; Primera, Oliva M.; Pacheco, Leonardo C.; Castillo-Chara, Jairo; Castro, Miguel E.; Mina, Nairmen

2004-09-01

TNT and DNT are important explosives used as base charges of landmines and other explosive devices. They are often combined with RDX in specific explosive formulations. Their detection in vapor phase as well as in soil in contact with the explosives is important in landmine detection technology. The spectroscopic signatures of nitroaromatic compounds in neat forms: crystals, droplets, and recrystallized samples were determined by Raman Microspectroscopy (RS), Fourier Transform Infrared Microscopy (FTIR) and Fiber Optics Coupled - Fourier Transform Infrared Spectroscopy (FOC-FTIR) using a grazing angle (GA) probe. TNT exhibits a series of characteristic bands: vibrational signatures, which allow its detection in soil. The spectroscopic signature of neat TNT is dominated by strong bands about 1380 and 2970 cm-1. The intensity and position of these bands were found remarkably different in soil samples spiked with TNT. The 1380 cm-1 band is split into a number of bands in that region. The 2970 cm-1 band is reduced in intensity and new bands are observed about 2880 cm-1. The results are consistent with a different chemical environment of TNT in soil as compared to neat TNT. Interactions were found to be dependent on the physical source of the explosive. In the case of DNT-sand interactions, shifts in vibrational frequencies of the explosives as well as the substrates were found.

Raman microspectroscopy and FTIR crystallization studies of 2,4,6-TNT in soil

NASA Astrophysics Data System (ADS)

Manrique-Bastidas, Cesar A.; Mina, Nairmen; Castro, Miguel E.; Hernandez-Rivera, Samuel P.

2005-06-01

2,4,6-Trinitrotoluene is a high explosive used in manufacturing landmine, bombs, and other explosive devices. It has been the main source of contamination in groundwater, soil as a result of intentional or accidental releases at many places around the world. Crystallization of TNT in soil from TNT/methanol solutions was carried out and characterized using vibrational spectroscopy. TNT exhibits a series of characteristic bands that allow its detection when in soil. The spectroscopic signatures of neat TNT and TNT in soil samples were determined with Raman Microspectroscopy and Fourier Transform Infrared (FTIR) Microscopy. The spectroscopic signature of neat TNT is dominated by strong bands about 1380 and 2970 cm-1. The intensity and position of these bands are found remarkably different in soil samples spiked with TNT. The 1380 cm-1 band is split into a number of bands in that region. The 2970 cm-1 is reduced in intensity and new bands are observed at about 2880 cm-1. The results are consistent with a different chemical environment for TNT in soil as compared to neat TNT. Further measurements are required to fully understand the spectroscopic signature of TNT in soil samples. Its detection in soil is essential in landmine detection technology, and could address the improvement of the devices in the mentioned technology.

Torsionally mediated spin-rotation hyperfine splittings at moderate to high J values in methanol

NASA Astrophysics Data System (ADS)

Belov, S. P.; Golubiatnikov, G. Yu.; Lapinov, A. V.; Ilyushin, V. V.; Alekseev, E. A.; Mescheryakov, A. A.; Hougen, J. T.; Xu, Li-Hong

2016-07-01

This paper presents an explanation based on torsionally mediated proton-spin-overall-rotation interaction for the observation of doublet hyperfine splittings in some Lamb-dip sub-millimeter-wave transitions between ground-state torsion-rotation states of E symmetry in methanol. These unexpected doublet splittings, some as large as 70 kHz, were observed for rotational quantum numbers in the range of J = 13 to 34, and K = - 2 to +3. Because they increase nearly linearly with J for a given branch, we confined our search for an explanation to hyperfine operators containing one nuclear-spin angular momentum factor I and one overall-rotation angular momentum factor J (i.e., to spin-rotation operators) and ignored both spin-spin and spin-torsion operators, since they contain no rotational angular momentum operator. Furthermore, since traditional spin-rotation operators did not seem capable of explaining the observed splittings, we constructed totally symmetric "torsionally mediated spin-rotation operators" by multiplying the E-species spin-rotation operator by an E-species torsional-coordinate factor of the form e±niα. The resulting operator is capable of connecting the two components of a degenerate torsion-rotation E state. This has the effect of turning the hyperfine splitting pattern upside down for some nuclear-spin states, which leads to bottom-to-top and top-to-bottom hyperfine selection rules for some transitions, and thus to an explanation for the unexpectedly large observed hyperfine splittings. The constructed operator cannot contribute to hyperfine splittings in the A-species manifold because its matrix elements within the set of torsion-rotation A1 and A2 states are all zero. The theory developed here fits the observed large doublet splittings to a root-mean-square residual of less than 1 kHz and predicts unresolvable splittings for a number of transitions in which no doublet splitting was detected.

Torsionally mediated spin-rotation hyperfine splittings at moderate to high J values in methanol

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

Belov, S. P.; Golubiatnikov, G. Yu.; Lapinov, A. V.

2016-07-14

This paper presents an explanation based on torsionally mediated proton-spin–overall-rotation interaction for the observation of doublet hyperfine splittings in some Lamb-dip sub-millimeter-wave transitions between ground-state torsion-rotation states of E symmetry in methanol. These unexpected doublet splittings, some as large as 70 kHz, were observed for rotational quantum numbers in the range of J = 13 to 34, and K = − 2 to +3. Because they increase nearly linearly with J for a given branch, we confined our search for an explanation to hyperfine operators containing one nuclear-spin angular momentum factor I and one overall-rotation angular momentum factor J (i.e.,more » to spin-rotation operators) and ignored both spin-spin and spin-torsion operators, since they contain no rotational angular momentum operator. Furthermore, since traditional spin-rotation operators did not seem capable of explaining the observed splittings, we constructed totally symmetric “torsionally mediated spin-rotation operators” by multiplying the E-species spin-rotation operator by an E-species torsional-coordinate factor of the form e{sup ±niα}. The resulting operator is capable of connecting the two components of a degenerate torsion-rotation E state. This has the effect of turning the hyperfine splitting pattern upside down for some nuclear-spin states, which leads to bottom-to-top and top-to-bottom hyperfine selection rules for some transitions, and thus to an explanation for the unexpectedly large observed hyperfine splittings. The constructed operator cannot contribute to hyperfine splittings in the A-species manifold because its matrix elements within the set of torsion-rotation A{sub 1} and A{sub 2} states are all zero. The theory developed here fits the observed large doublet splittings to a root-mean-square residual of less than 1 kHz and predicts unresolvable splittings for a number of transitions in which no doublet splitting was detected.« less

A single-solenoid pulsed-magnet system for single-crystal scattering studies

NASA Astrophysics Data System (ADS)

Islam, Zahirul; Capatina, Dana; Ruff, Jacob P. C.; Das, Ritesh K.; Trakhtenberg, Emil; Nojiri, Hiroyuki; Narumi, Yasuo; Welp, Ulrich; Canfield, Paul C.

2012-03-01

We present a pulsed-magnet system that enables x-ray single-crystal diffraction in addition to powder and spectroscopic studies with the magnetic field applied on or close to the scattering plane. The apparatus consists of a single large-bore solenoid, cooled by liquid nitrogen. A second independent closed-cycle cryostat is used for cooling samples near liquid helium temperatures. Pulsed magnetic fields close to ˜30 T with a zero-to-peak-field rise time of ˜2.9 ms are generated by discharging a 40 kJ capacitor bank into the magnet coil. The unique characteristic of this instrument is the preservation of maximum scattering angle (˜23.6°) on the entrance and exit sides of the magnet bore by virtue of a novel double-funnel insert. This instrument will facilitate x-ray diffraction and spectroscopic studies that are impractical, if not impossible, to perform using split-pair and narrow-opening solenoid magnets. Furthermore, it offers a practical solution for preserving optical access in future higher-field pulsed magnets.

PSYCHE CPMG-HSQMBC: An NMR Spectroscopic Method for Precise and Simple Measurement of Long-Range Heteronuclear Coupling Constants.

PubMed

Timári, István; Szilágyi, László; Kövér, Katalin E

2015-09-28

Among the NMR spectroscopic parameters, long-range heteronuclear coupling constants convey invaluable information on torsion angles relevant to glycosidic linkages of carbohydrates. A broadband homonuclear decoupled PSYCHE CPMG-HSQMBC method for the precise and direct measurement of multiple-bond heteronuclear couplings is presented. The PSYCHE scheme built into the pulse sequence efficiently eliminates unwanted proton-proton splittings from the heteronuclear multiplets so that the desired heteronuclear couplings can be determined simply by measuring frequency differences between peak maxima of pure antiphase doublets. Moreover, PSYCHE CPMG-HSQMBC can provide significant improvement in sensitivity as compared to an earlier Zangger-Sterk-based method. Applications of the proposed pulse sequence are demonstrated for the extraction of (n)J((1)H,(77)Se) and (n)J((1)H,(13)C) values, respectively, in carbohydrates; further extensions can be envisioned in any J-based structural and conformational studies. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Dual-comb spectroscopy of laser-induced plasmas

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

Bergevin, Jenna; Wu, Tsung-Han; Yeak, Jeremy

Dual-comb spectroscopy has become a powerful spectroscopic technique in applications that rely on its broad spectral coverage combined with high frequency resolution capabilities. Experiments to date have primarily focused on detection and analysis of multiple gas species under semi-static conditions, with applications ranging from environmental monitoring of greenhouse gases to high resolution molecular spectroscopy. Here, we utilize dual-comb spectroscopy to demonstrate broadband, high-resolution, and time-resolved measurements in a laser induced plasma for the first time. As a first demonstration, we simultaneously detect trace amounts of Rb and K in solid samples with a single laser ablation shot, with transitions separatedmore » by over 6 THz (13 nm) and spectral resolution sufficient to resolve isotopic and ground state hyperfine splittings of the Rb D2 line. This new spectroscopic approach offers the broad spectral coverage found in the powerful techniques of laser-induced breakdown spectroscopy (LIBS) while providing the high-resolution and accuracy of cw laser-based spectroscopies.« less

Split-shift work in relation to stress, health and psychosocial work factors among bus drivers.

PubMed

Ihlström, Jonas; Kecklund, Göran; Anund, Anna

2017-01-01

Shift work has been associated with poor health, sleep and fatigue problems and low satisfaction with working hours. However, one type of shift working, namely split shifts, have received little attention. This study examined stress, health and psychosocial aspects of split-shift schedules among bus drivers in urban transport. A questionnaire was distributed to drivers working more than 70% of full time which 235 drivers in total answered. In general, drivers working split-shift schedules (n = 146) did not differ from drivers not working such shifts (n = 83) as regards any of the outcome variables that were studied. However, when individual perceptions towards split-shift schedules were taken into account, a different picture appeared. Bus drivers who reported problems working split shifts (36%) reported poorer health, higher perceived stress, working hours interfering with social life, lower sleep quality, more persistent fatigue and lower general work satisfaction than those who did not view split shifts as a problem. Moreover, drivers who reported problems with split shifts also perceived lower possibilities to influence working hours, indicating lower work time control. This study indicates that split shifts were not associated with increased stress, poorer health and adverse psychosocial work factors for the entire study sample. However, the results showed that individual differences were important and approximately one third of the drivers reported problems with split shifts, which in turn was associated with stress, poor health and negative psychosocial work conditions. More research is needed to understand the individual and organizational determinants of tolerance to split shifts.

The gj factor of a bound electron and the hyperfine structure splitting in hydrogenlike ions

NASA Astrophysics Data System (ADS)

Beier, Thomas

2000-12-01

The comparison between theory and experiment of the hyperfine structure splitting and the electronic gj factor in heavy highly charged ions provides a unique testing ground for quantum electrodynamics in the presence of strong electric and magnetic fields. A theoretical evaluation is presented of all quantum electrodynamical contributions to the ground-state hfs splitting in hydrogenlike and lithiumlike atoms as well as to the gj factor. Binding and nuclear effects are discussed as well. A comparison with the available experimental data is performed, and a detailed discussion of theoretical sources of uncertainty is included which is mainly due to insufficiently known nuclear properties.

Finite element analysis of contributing factors to the horizontal splitting cracks in concrete crossties pretensioned with seven-wire strands.

DOT National Transportation Integrated Search

2017-04-04

This paper employs the finite element (FE) modeling : method to investigate the contributing factors to the horizontal : splitting cracks observed in the upper strand plane in some : concrete crossties made with seven-wire strands. The concrete...

The magnetic structure of EuCu 2Sb 2

DOE PAGES

Ryan, D. H.; Cadogan, J. M.; Anand, V. K.; ...

2015-05-06

Antiferromagnetic ordering of EuCu 2Sb 2 which forms in the tetragonal CaBe 2Ge 2-type structure (space group P4/nmm #129) has been studied using neutron powder diffraction and 151Eu Mössbauer spectroscopy. The room temperature 151Eu isomer shift of –12.8(1) mm/s shows the Eu to be divalent, while the 151Eu hyperfine magnetic field (B hf) reaches 28.7(2) T at 2.1 K, indicating a full Eu 2+ magnetic moment. B hf(T) follows a smoothmore » $$S=\\frac{7}{2}$$ Brillouin function and yields an ordering temperature of 5.1(1) K. Refinement of the neutron diffraction data reveals a collinear A-type antiferromagnetic arrangement with the Eu moments perpendicular to the tetragonal c-axis. As a result, the refined Eu magnetic moment at 0.4 K is 7.08(15) μ B which is the full free-ion moment expected for the Eu 2+ ion with $$S=\\frac{7}{2}$$ and a spectroscopic splitting factor of g = 2.« less

Spin pumping and inverse Rashba-Edelstein effect in NiFe/Ag/Bi and NiFe/Ag/Sb

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

Zhang, Wei, E-mail: zwei@anl.gov; Jungfleisch, Matthias B.; Jiang, Wanjun

2015-05-07

The Rashba effect is an interaction between the spin and the momentum of electrons induced by the spin-orbit coupling in surface or interface states. We measured the inverse Rashba-Edelstein effect via spin pumping in Ag/Bi and Ag/Sb interfaces. The spin current is injected from the ferromagnetic resonance of a NiFe layer towards the Rashba interfaces, where it is further converted into a charge current. Using spin pumping theory, we quantify the conversion parameter of spin to charge current to be 0.11 ± 0.02 nm for Ag/Bi and a factor of ten smaller for Ag/Sb. The relative strength of the effect is in agreementmore » with spectroscopic measurements and first principles calculations. We also vary the interlayer materials to study the voltage output in relation to the change of the effective spin mixing conductance. The spin pumping experiment offers a straight-forward approach of using spin current as an efficient probe for detecting interface Rashba splitting.« less

Tokamak Equilibrium Reconstruction with MSE-LS Data in DIII-D

NASA Astrophysics Data System (ADS)

Lao, L.; Grierson, B.; Burrell, K. H.

2016-10-01

Equilibrium analysis of plasmas in DIII-D using EFIT was upgraded to include the internal magnetic field determined from spectroscopic measurements of motional-Stark-effect line-splitting (MSE-LS). MSE-LS provides measurements of the magnitude of the internal magnetic field, rather than the pitch angle as provided by MSE line-polarization (MSE-LP) used in most tokamaks to date. EFIT MSE-LS reconstruction algorithms and verifications are described. The capability of MSE-LS to provide significant constraints on the equilibrium analysis is evaluated. Reconstruction results with both synthetic and experimental MSE-LS data from 10 DIII-D discharges run over a range of conditions show that MSE-LS measurements can contribute to the equilibrium reconstruction of pressure and safety factor profiles. Adequate MSE-LS measurement accuracy and number of spatial locations are necessary. The 7 available experimental measurements provide useful additional constraints when used with other internal measurements. Using MSE-LS as the only internal measurement yields less current profile information. Work supported by the PPPL Subcontract S013769-F and US DOE under DE-FC02-04ER54698.

Graphene–Metamaterial Photodetectors for Integrated Infrared Sensing

DOE PAGES

Luxmoore, Isaac. J.; Liu, Peter Q.; Li, Penglei; ...

2016-06-01

We study metamaterial-enhanced graphene photodetectors operating in the mid-IR to THz. The detector element consists of a graphene ribbon embedded within a dual-metal split ring resonator, which acts like a cavity to enhance the absorption of electromagnetic radiation by the graphene ribbon, while the asymmetric metal contacts enable photothermoelectric detection. The detectors we designed for the mid-IR demonstrate peak responsivity (referenced to total power) of ~120 mV/W at 1500 cm -1 and are employed in the spectroscopic evaluation of vibrational resonances, thus demonstrating a key step toward a platform for integrated surface-enhanced sensing.

Theoretical predictions of vibration-rotation-tunneling dynamics of the weakly bound trimer (H 2O) 2HCl

NASA Astrophysics Data System (ADS)

Struniewicz, Cezary; Korona, Tatiana; Moszynski, Robert; Milet, Anne

2001-08-01

In this Letter we report a theoretical study of the vibration-rotation-tunneling (VRT) states of the (H 2O) 2HCl trimer. Five degrees of freedom are considered: two angles corresponding to the torsional (flipping) motions of the free, non-hydrogen-bonded, hydrogen atoms in the complex, and three angles describing the overall rotation of the trimer in the space. A two-dimensional potential energy surface is generated ab initio by symmetry-adapted perturbation theory (SAPT). Tunneling splittings, frequencies of the intermolecular vibrations, and vibrational line strengths of spectroscopic transitions are predicted.

Fully coupled six-dimensional calculations of the water dimer vibration-rotation-tunneling states with split Wigner pseudospectral approach. II. Improvements and tests of additional potentials

NASA Astrophysics Data System (ADS)

Fellers, R. S.; Braly, L. B.; Saykally, R. J.; Leforestier, C.

1999-04-01

The SWPS method is improved by the addition of H.E.G. contractions for generating a more compact basis. An error in the definition of the internal fragment axis system used in our previous calculation is described and corrected. Fully coupled 6D (rigid monomers) VRT states are computed for several new water dimer potential surfaces and compared with experiment and our earlier SWPS results. This work sets the stage for refinement of such potential surfaces via regression analysis of VRT spectroscopic data.

High Q-factor metasurfaces based on miniaturized asymmetric single split resonators

NASA Astrophysics Data System (ADS)

Al-Naib, Ibraheem A. I.; Jansen, Christian; Koch, Martin

2009-04-01

We introduce asymmetric single split rectangular resonators as bandstop metasurfaces, which exhibit very high Q-factors in combination with low passband losses and a small electrical footprint. The effect of the degree of asymmetry on the frequency response is thoroughly studied. Furthermore, complementary structures, which feature a bandpass behavior, were derived by applying Babinet's principle and investigated with regards to their transmission characteristics. In future, asymmetric single split rectangular resonators could provide efficient unit cells for frequency selective surface devices, such as thin-film sensors or high performance filters.

Structure and temperature effects on Nd3+ spectra in polycrystalline mixed scandium aluminum garnets Y3ScxAl5-xO12

NASA Astrophysics Data System (ADS)

Lupei, A.; Lupei, V.; Hau, S.; Gheorghe, C.; Voicu, F.

2015-09-01

New spectroscopic data obtained from high resolution low temperature absorption and emission spectra of Nd3+ in mixed scandium aluminum garnets Y3ScxAl5-xO12 - (x = 0-2) translucent ceramics revealed transition dependent composition effects: modification of the shapes (Lorentz at x = 0 and 2, quasi-Gauss at x = 1, x-dependent asymmetric for other x values, with obvious multicenter structure for low x), widths and shifts of the lines. Nd3+ electronic structure dependence on structural changes with composition is analyzed in terms of nephelauxetic effect and maximum splitting of manifolds: Sc3+ co-doping reduces the nephelauxetic effect, and the increase of 4F3/2 splitting from 85 cm-1 (x = 0) to 98 cm-1 (x = 2) denotes the lowering of local symmetry. The multicenter structure and inhomogeneous broadening of Nd3+ lines is attributed to crystal field distributions determined by the random occupancy of the octahedral sites by Sc3+ and Al3+. For low x (0.2) the resolved two satellites S1, S2 that accompany Nd:YAG lines are correlated to anisotropic crystal field perturbations produced by the n.n. Sc3+ by analogy to those determined by Y3+-antisites (excess of Y3+ ions that enter in octahedral sites of the melt-grown YAG crystals). The temperature evolution of the Nd3+ spectral characteristics (line intensity, shift, broadening) in the 10-300 K range is analyzed in terms of thermal population of the Stark levels, of the effect on electron-phonon interaction and on lattice expansion. The relevance of the spectroscopic properties on the laser emission characteristics in these systems is discussed.

An Intuitive Graphical Approach to Understanding the Split-Plot Experiment

ERIC Educational Resources Information Center

Robinson, Timothy J.; Brenneman, William A.; Myers, William R.

2009-01-01

While split-plot designs have received considerable attention in the literature over the past decade, there seems to be a general lack of intuitive understanding of the error structure of these designs and the resulting statistical analysis. Typically, students learn the proper error terms for testing factors of a split-plot design via "expected…

A Raman and Infrared Spectroscopic Study of Anglesite at High Pressures

NASA Astrophysics Data System (ADS)

Sawchuk, K. L. S.; Vennari, C.; O'Bannon, E. F., III; Williams, Q.

2016-12-01

Raman and infrared spectra of the barite-structured lead sulfate, anglesite (PbSO4), were collected to 40 GPa and 300 K. Our particular interest in this compound is oriented towards determining what post-barite structures sulfates in the deep earth sulfur cycle might ultimately convert to at high pressures. Additionally, the study of ABX4 materials has applications to materials science that include their usage as scintillation detectors, and PbSO4 has been demonstrated to have non-linear optical properties. Measurements were made of the internal modes of the SO4 group that lie between 400 and 1200 cm-1 and lattice vibrations that occur between 50 and 250 cm-1. In accord with previous Raman work of Lee et al. (WJCMP, 2012), two phase transitions initiate at 13 and 23 GPa which are reversible on decompression. The 13 GPa transition is subtle and involves splitting of a few modes, particularly the SO4 tetragonal stretching and bending-derived Raman and associated infrared modes. This transition likely goes to a structure with a greater degree of Davydov splitting between corresponding Raman- and infrared-active vibrations, which may indicate a greater distortion of the SO4 tetrahedra. The transition at 23 GPa is a major, sluggish, transition that causes splitting and/or shifting in all observed Raman and infrared modes. These new peaks are lower in frequency and become the sole spectral features by 42 GPa suggesting a higher symmetry structure than previously inferred. It appears that this transition involves a coexistence of phases until the transition is ultimately complete around 42 GPa. Based on the structural systematics of ABX4 phases and factor group analysis, it is likely the structure goes to the monazite structure at high pressures, but that this transition required marked overpressurization to occur at 300K. The accessing of this monazite-like phase is in general accord with systematics of high-pressure transitions in ABX4 phases, and indicates that monazite-structured polymorphs may be anticipated within subducted high-pressure sulfates within Earth's mantle.

Magnetic Excitations in Polyoxotungstate-Supported Lanthanoid Single-Molecule Magnets: An Inelastic Neutron Scattering and ab Initio Study.

PubMed

Vonci, Michele; Giansiracusa, Marcus J; Van den Heuvel, Willem; Gable, Robert W; Moubaraki, Boujemaa; Murray, Keith S; Yu, Dehong; Mole, Richard A; Soncini, Alessandro; Boskovic, Colette

2017-01-03

Inelastic neutron scattering (INS) has been used to investigate the crystal field (CF) magnetic excitations of the analogs of the most representative lanthanoid-polyoxometalate single-molecule magnet family: Na 9 [Ln(W 5 O 18 ) 2 ] (Ln = Nd, Tb, Ho, Er). Ab initio complete active space self-consistent field/restricted active space state interaction calculations, extended also to the Dy analog, show good agreement with the experimentally determined low-lying CF levels, with accuracy better in most cases than that reported for approaches based only on simultaneous fitting to CF models of magnetic or spectroscopic data for isostructural Ln families. In this work we demonstrate the power of a combined spectroscopic and computational approach. Inelastic neutron scattering has provided direct access to CF levels, which together with the magnetometry data, were employed to benchmark the ab initio results. The ab initio determined wave functions corresponding to the CF levels were in turn employed to assign the INS transitions allowed by selection rules and interpret the observed relative intensities of the INS peaks. Ultimately, we have been able to establish the relationship between the wave function composition of the CF split Ln III ground multiplets and the experimentally measured magnetic and spectroscopic properties for the various analogs of the Na 9 [Ln(W 5 O 18 ) 2 ] family.

A multiresolution approach for the convergence acceleration of multivariate curve resolution methods.

PubMed

Sawall, Mathias; Kubis, Christoph; Börner, Armin; Selent, Detlef; Neymeyr, Klaus

2015-09-03

Modern computerized spectroscopic instrumentation can result in high volumes of spectroscopic data. Such accurate measurements rise special computational challenges for multivariate curve resolution techniques since pure component factorizations are often solved via constrained minimization problems. The computational costs for these calculations rapidly grow with an increased time or frequency resolution of the spectral measurements. The key idea of this paper is to define for the given high-dimensional spectroscopic data a sequence of coarsened subproblems with reduced resolutions. The multiresolution algorithm first computes a pure component factorization for the coarsest problem with the lowest resolution. Then the factorization results are used as initial values for the next problem with a higher resolution. Good initial values result in a fast solution on the next refined level. This procedure is repeated and finally a factorization is determined for the highest level of resolution. The described multiresolution approach allows a considerable convergence acceleration. The computational procedure is analyzed and is tested for experimental spectroscopic data from the rhodium-catalyzed hydroformylation together with various soft and hard models. Copyright © 2015 Elsevier B.V. All rights reserved.

Split-wedge antennas with sub-5 nm gaps for plasmonic nanofocusing

DOE PAGES

Chen, Xiaoshu; Lindquist, Nathan C.; Klemme, Daniel J.; ...

2016-11-22

Here, we present a novel plasmonic antenna structure, a split-wedge antenna, created by splitting an ultrasharp metallic wedge with a nanogap perpendicular to its apex. The nanogap can tightly confine gap plasmons and boost the local optical field intensity in and around these opposing metallic wedge tips. This three-dimensional split-wedge antenna integrates the key features of nanogaps and sharp tips, i.e., tight field confinement and three-dimensional nanofocusing, respectively, into a single platform. We fabricate split-wedge antennas with gaps that are as small as 1 nm in width at the wafer scale by combining silicon V-grooves with template stripping and atomicmore » layer lithography. Computer simulations show that the field enhancement and confinement are stronger at the tip–gap interface compared to what standalone tips or nanogaps produce, with electric field amplitude enhancement factors exceeding 50 when near-infrared light is focused on the tip–gap geometry. The resulting nanometric hotspot volume is on the order of λ 3/10 6. Experimentally, Raman enhancement factors exceeding 10 7 are observed from a 2 nm gap split-wedge antenna, demonstrating its potential for sensing and spectroscopy applications.« less

Accuracy of tablet splitting and liquid measurements: an examination of who, what and how.

PubMed

Abu-Geras, Dana; Hadziomerovic, Dunja; Leau, Andrew; Khan, Ramzan Nazim; Gudka, Sajni; Locher, Cornelia; Razaghikashani, Maryam; Lim, Lee Yong

2017-05-01

To examine factors that might affect the ability of patients to accurately halve tablets or measure a 5-ml liquid dose. Eighty-eight participants split four different placebo tablets by hand and using a tablet splitter, while 85 participants measured 5 ml of water, 0.5% methylcellulose (MC) and 1% MC using a syringe and dosing cup. Accuracy of manipulation was determined by mass measurements. The general population was less able than pharmacy students to break tablets into equal parts, although age, gender and prior experience were insignificant factors. Greater accuracy of tablet halving was observed with tablet splitter, with scored tablets split more equally than unscored tablets. Tablet size did not affect the accuracy of splitting. However, >25% of small scored tablets failed to be split by hand, and 41% of large unscored tablets were split into >2 portions in the tablet splitter. In liquid measurement, the syringe provided more accurate volume measurements than the dosing cup, with higher accuracy observed for the more viscous MC solutions than water. Formulation characteristics and manipulation technique have greater influences on the accuracy of medication modification and should be considered in off-label drug use in vulnerable populations. © 2016 Royal Pharmaceutical Society.

Split-Wedge Antennas with Sub-5 nm Gaps for Plasmonic Nanofocusing

PubMed Central

2016-01-01

We present a novel plasmonic antenna structure, a split-wedge antenna, created by splitting an ultrasharp metallic wedge with a nanogap perpendicular to its apex. The nanogap can tightly confine gap plasmons and boost the local optical field intensity in and around these opposing metallic wedge tips. This three-dimensional split-wedge antenna integrates the key features of nanogaps and sharp tips, i.e., tight field confinement and three-dimensional nanofocusing, respectively, into a single platform. We fabricate split-wedge antennas with gaps that are as small as 1 nm in width at the wafer scale by combining silicon V-grooves with template stripping and atomic layer lithography. Computer simulations show that the field enhancement and confinement are stronger at the tip–gap interface compared to what standalone tips or nanogaps produce, with electric field amplitude enhancement factors exceeding 50 when near-infrared light is focused on the tip–gap geometry. The resulting nanometric hotspot volume is on the order of λ3/106. Experimentally, Raman enhancement factors exceeding 107 are observed from a 2 nm gap split-wedge antenna, demonstrating its potential for sensing and spectroscopy applications. PMID:27960527

Photochemistry of furyl- and thienyldiazomethanes: spectroscopic characterization of triplet 3-thienylcarbene.

PubMed

Pharr, Caroline R; Kopff, Laura A; Bennett, Brian; Reid, Scott A; McMahon, Robert J

2012-04-11

Photolysis (λ > 543 nm) of 3-thienyldiazomethane (1), matrix isolated in Ar or N(2) at 10 K, yields triplet 3-thienylcarbene (13) and α-thial-methylenecyclopropene (9). Carbene 13 was characterized by IR, UV/vis, and EPR spectroscopy. The conformational isomers of 3-thienylcarbene (s-E and s-Z) exhibit an unusually large difference in zero-field splitting parameters in the triplet EPR spectrum (|D/hc| = 0.508 cm(-1), |E/hc| = 0.0554 cm(-1); |D/hc| = 0.579 cm(-1), |E/hc| = 0.0315 cm(-1)). Natural Bond Orbital (NBO) calculations reveal substantially differing spin densities in the 3-thienyl ring at the positions adjacent to the carbene center, which is one factor contributing to the large difference in D values. NBO calculations also reveal a stabilizing interaction between the sp orbital of the carbene carbon in the s-Z rotamer of 13 and the antibonding σ orbital between sulfur and the neighboring carbon-an interaction that is not observed in the s-E rotamer of 13. In contrast to the EPR spectra, the electronic absorption spectra of the rotamers of triplet 3-thienylcarbene (13) are indistinguishable under our experimental conditions. The carbene exhibits a weak electronic absorption in the visible spectrum (λ(max) = 467 nm) that is characteristic of triplet arylcarbenes. Although studies of 2-thienyldiazomethane (2), 3-furyldiazomethane (3), or 2-furyldiazomethane (4) provided further insight into the photochemical interconversions among C(5)H(4)S or C(5)H(4)O isomers, these studies did not lead to the spectroscopic detection of the corresponding triplet carbenes (2-thienylcarbene (11), 3-furylcarbene (23), or 2-furylcarbene (22), respectively). © 2012 American Chemical Society

Unbalanced and Minimal Point Equivalent Estimation Second-Order Split-Plot Designs

NASA Technical Reports Server (NTRS)

Parker, Peter A.; Kowalski, Scott M.; Vining, G. Geoffrey

2007-01-01

Restricting the randomization of hard-to-change factors in industrial experiments is often performed by employing a split-plot design structure. From an economic perspective, these designs minimize the experimental cost by reducing the number of resets of the hard-to- change factors. In this paper, unbalanced designs are considered for cases where the subplots are relatively expensive and the experimental apparatus accommodates an unequal number of runs per whole-plot. We provide construction methods for unbalanced second-order split- plot designs that possess the equivalence estimation optimality property, providing best linear unbiased estimates of the parameters; independent of the variance components. Unbalanced versions of the central composite and Box-Behnken designs are developed. For cases where the subplot cost approaches the whole-plot cost, minimal point designs are proposed and illustrated with a split-plot Notz design.

Assessing Clinical and Life Sciences Performance of Research Institutions in Split, Croatia, 2000-2006

PubMed Central

Puljak, Livia; Vukojević, Katarina; Lovrić Kojundžić, Sanja; Sapunar, Damir

2008-01-01

Aim To evaluate publications of clinical and life scientists from research institutions in Split, Croatia, and the publication output from government-funded research projects of the University of Split School of Medicine. Methods We analyzed the number of publications from research institutions in Split, Croatia, in the 2000-2006 period, relative impact factors, predominant research fields, output of researchers from the University of Split School of Medicine receiving government research grants, and the average price of published article. Results From 2000 to 2006, clinical and life scientists published 350 articles indexed in Thomson Scientific database Current Contents. The number of articles increased from 30 in 2000 to 76 in 2006, and the average impact factor of journals where these articles were published increased from 2.03 in 2000 to 2.89 in 2006. Twenty percent of articles (72/350) were published in the Croatian Medical Journal. Principal investigators of the 12 research projects receiving government grants published 0 to 8 articles related to the project topic in the 2002-2006 research grant cycle. The research grantees published 78 original research articles, with an average price per article of € 29.210. Conclusion Although the number and impact factor of research articles published by clinical and life scientists from Split, Croatia, is increasing, it is still low when the number of scientists is taken into account. There should be better mechanisms of control and evaluation of research performance of government-funded research projects. PMID:18461671

Assessing clinical and life sciences performance of research institutions in Split, Croatia, 2000-2006.

PubMed

Puljak, Livia; Vukojević, Katarina; Lovrić Kojundzić, Sanja; Sapunar, Damir

2008-04-01

To evaluate publications of clinical and life scientists from research institutions in Split, Croatia, and the publication output from government-funded research projects of the University of Split School of Medicine. We analyzed the number of publications from research institutions in Split, Croatia, in the 2000-2006 period, relative impact factors, predominant research fields, output of researchers from the University of Split School of Medicine receiving government research grants, and the average price of published article. From 2000 to 2006, clinical and life scientists published 350 articles indexed in Thomson Scientific database Current Contents. The number of articles increased from 30 in 2000 to 76 in 2006, and the average impact factor of journals where these articles were published increased from 2.03 in 2000 to 2.89 in 2006. Twenty percent of articles (72/350) were published in the Croatian Medical Journal. Principal investigators of the 12 research projects receiving government grants published 0 to 8 articles related to the project topic in the 2002-2006 research grant cycle. The research grantees published 78 original research articles, with an average price per article of euro 29.210 euros. Although the number and impact factor of research articles published by clinical and life scientists from Split, Croatia, is increasing, it is still low when the number of scientists is taken into account. There should be better mechanisms of control and evaluation of research performance of government-funded research projects.

Direct evidence of hidden local spin polarization in a centrosymmetric superconductor LaO0.55 F0.45BiS2.

PubMed

Wu, Shi-Long; Sumida, Kazuki; Miyamoto, Koji; Taguchi, Kazuaki; Yoshikawa, Tomoki; Kimura, Akio; Ueda, Yoshifumi; Arita, Masashi; Nagao, Masanori; Watauchi, Satoshi; Tanaka, Isao; Okuda, Taichi

2017-12-04

Conventional Rashba spin polarization is caused by the combination of strong spin-orbit interaction and spatial inversion asymmetry. However, Rashba-Dresselhaus-type spin-split states are predicted in the centrosymmetric LaOBiS 2 system by recent theory, which stem from the local inversion asymmetry of active BiS 2 layer. By performing high-resolution spin- and angle-resolved photoemission spectroscopy, we have investigated the electronic band structure and spin texture of superconductor LaO 0.55 F 0.45 BiS 2 . Here we present direct spectroscopic evidence for the local spin polarization of both the valence band and the conduction band. In particular, the coexistence of Rashba-like and Dresselhaus-like spin textures has been observed in the conduction band. The finding is of key importance for fabrication of proposed dual-gated spin-field effect transistor. Moreover, the spin-split band leads to a spin-momentum locking Fermi surface from which superconductivity emerges. Our demonstration not only expands the scope of spintronic materials but also enhances the understanding of spin-orbit interaction-related superconductivity.

Investigation of porosity and heterojunction effects of a mesoporous hematite electrode on photoelectrochemical water splitting.

PubMed

Liu, Jingling; Shahid, Muhammad; Ko, Young-Seon; Kim, Eunchul; Ahn, Tae Kyu; Park, Jong Hyeok; Kwon, Young-Uk

2013-06-28

In this paper, we report the porosity and heterojunction effects of hematite (α-Fe2O3) on the photoelectrochemical (PEC) water splitting properties. The worm-like mesoporous hematite thin films (MHFs) with a pore size of ~9 nm and a wall thickness of ~5 nm were successfully obtained through the self-assembly process. MHFs formed on FTO showed much better PEC properties than those of nonporous hematite thin films (NP-HF) owing to the suppression of charge recombination. The PEC data of MHFs under front and back illumination conditions indicated that the porous structure allows the diffusion of electrolyte deep inside the MHF increasing the number of holes to be utilized in the water oxidation reaction. A heterojunction structure was formed by introducing a thin layer of SnO2 (~15 nm in thickness) between the MHF and FTO for a dramatically enhanced PEC response, which is attributed to the efficient electron transfer. Our spectroscopic and electrochemical data show that the SnO2 layer functions as an efficient electron transmitter, but does not affect the recombination kinetics of MHFs.

Orbital State Manipulation of a Diamond Nitrogen-Vacancy Center Using a Mechanical Resonator

NASA Astrophysics Data System (ADS)

Chen, H. Y.; MacQuarrie, E. R.; Fuchs, G. D.

2018-04-01

We study the resonant optical transitions of a single nitrogen-vacancy (NV) center that is coherently dressed by a strong mechanical drive. Using a gigahertz-frequency diamond mechanical resonator that is strain coupled to a NV center's orbital states, we demonstrate coherent Raman sidebands out to the ninth order and orbital-phonon interactions that mix the two excited-state orbital branches. These interactions are spectroscopically revealed through a multiphonon Rabi splitting of the orbital branches which scales as a function of resonator driving amplitude and is successfully reproduced in a quantum model. Finally, we discuss the application of mechanical driving to engineering NV-center orbital states.

Fully coupled six-dimensional calculations of the water dimer vibration-rotation-tunneling states with split Wigner pseudospectral approach. II. Improvements and tests of additional potentials

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

Fellers, R.S.; Braly, L.B.; Saykally, R.J.

The SWPS method is improved by the addition of H.E.G. contractions for generating a more compact basis. An error in the definition of the internal fragment axis system used in our previous calculation is described and corrected. Fully coupled 6D (rigid monomers) VRT states are computed for several new water dimer potential surfaces and compared with experiment and our earlier SWPS results. This work sets the stage for refinement of such potential surfaces via regression analysis of VRT spectroscopic data. {copyright} {ital 1999 American Institute of Physics.}

Strain broadening of the 1042-nm zero phonon line of the NV- center in diamond: A promising spectroscopic tool for defect tomography

NASA Astrophysics Data System (ADS)

Biktagirov, T. B.; Smirnov, A. N.; Davydov, V. Yu.; Doherty, M. W.; Alkauskas, A.; Gibson, B. C.; Soltamov, V. A.

2017-08-01

The negatively charged nitrogen-vacancy (NV-) center in diamond is a promising candidate for many quantum applications. Here, we examine the splitting and broadening of the center's infrared (IR) zero-phonon line (ZPL). We develop a model for these effects that accounts for the strain induced by photodependent microscopic distributions of defects. We apply this model to interpret observed variations of the IR ZPL shape with temperature and photoexcitation conditions. We identify an anomalous temperature-dependent broadening mechanism and that defects other than the substitutional nitrogen center significantly contribute to strain broadening. The former conclusion suggests the presence of a strong Jahn-Teller effect in the center's singlet levels and the latter indicates that major sources of broadening are yet to be identified. These conclusions have important implications for the understanding of the center and the engineering of diamond quantum devices. Finally, we propose that, once the major sources of broadening are identified, the IR ZPL has the potential to be a sensitive spectroscopic tool for probing microscopic strain fields and performing defect tomography.

[In situ Raman spectroscopic observation of micro-processes of methane hydrate formation and dissociation].

PubMed

Liu, Chang-Ling; Ye, Yu-Guang; Meng, Qing-Guo; Lü, Wan-Jun; Wang, Fei-Fei

2011-06-01

Micro laser Raman spectroscopic technique was used for in situ observation of the micro-processes of methane hydrate formed and decomposed in a high pressure transparent capillary. The changes in clathrate structure of methane hydrate were investigated during these processes. The results show that, during hydrate formation, the Raman peak (2 917 cm(-1)) of methane gas gradually splits into two peaks (2 905 and 2 915 cm(-1)) representing large and small cages, respectively, suggesting that the dissolved methane molecules go into two different chemical environments. In the meantime, the hydrogen bonds interaction is strengthened because water is changing from liquid to solid state gradually. As a result, the O-H stretching vibrations of water shift to lower wavenumber. During the decomposition process of methane hydrates, the Raman peaks of the methane molecules both in the large and small cages gradually clear up, and finally turn into a single peak of methane gas. The experimental results show that laser Raman spectroscopy can accurately demonstrate some relevant information of hydrate crystal structure changes during the formation and dissociation processes of methane hydrate.

The Split Virus Influenza Vaccine rapidly activates immune cells through Fcγ receptors.

PubMed

O'Gorman, William E; Huang, Huang; Wei, Yu-Ling; Davis, Kara L; Leipold, Michael D; Bendall, Sean C; Kidd, Brian A; Dekker, Cornelia L; Maecker, Holden T; Chien, Yueh-Hsiu; Davis, Mark M

2014-10-14

Seasonal influenza vaccination is one of the most common medical procedures and yet the extent to which it activates the immune system beyond inducing antibody production is not well understood. In the United States, the most prevalent formulations of the vaccine consist of degraded or "split" viral particles distributed without any adjuvants. Based on previous reports we sought to determine whether the split influenza vaccine activates innate immune receptors-specifically Toll-like receptors. High-dimensional proteomic profiling of human whole-blood using Cytometry by Time-of-Flight (CyTOF) was used to compare signaling pathway activation and cytokine production between the split influenza vaccine and a prototypical TLR response ex vivo. This analysis revealed that the split vaccine rapidly and potently activates multiple immune cell types but yields a proteomic signature quite distinct from TLR activation. Importantly, vaccine induced activity was dependent upon the presence of human sera indicating that a serum factor was necessary for vaccine-dependent immune activation. We found this serum factor to be human antibodies specific for influenza proteins and therefore immediate immune activation by the split vaccine is immune-complex dependent. These studies demonstrate that influenza virus "splitting" inactivates any potential adjuvants endogenous to influenza, such as RNA, but in previously exposed individuals can elicit a potent immune response by facilitating the rapid formation of immune complexes. Copyright © 2014 Elsevier Ltd. All rights reserved.

Exposing the QCD Splitting Function with CMS Open Data.

PubMed

Larkoski, Andrew; Marzani, Simone; Thaler, Jesse; Tripathee, Aashish; Xue, Wei

2017-09-29

The splitting function is a universal property of quantum chromodynamics (QCD) which describes how energy is shared between partons. Despite its ubiquitous appearance in many QCD calculations, the splitting function cannot be measured directly, since it always appears multiplied by a collinear singularity factor. Recently, however, a new jet substructure observable was introduced which asymptotes to the splitting function for sufficiently high jet energies. This provides a way to expose the splitting function through jet substructure measurements at the Large Hadron Collider. In this Letter, we use public data released by the CMS experiment to study the two-prong substructure of jets and test the 1→2 splitting function of QCD. To our knowledge, this is the first ever physics analysis based on the CMS Open Data.

Anisotropic in-plane spin splitting in an asymmetric (001) GaAs/AlGaAs quantum well

PubMed Central

2011-01-01

The in-plane spin splitting of conduction-band electron has been investigated in an asymmetric (001) GaAs/AlxGa1-xAs quantum well by time-resolved Kerr rotation technique under a transverse magnetic field. The distinctive anisotropy of the spin splitting was observed while the temperature is below approximately 200 K. This anisotropy emerges from the combined effect of Dresselhaus spin-orbit coupling plus asymmetric potential gradients. We also exploit the temperature dependence of spin-splitting energy. Both the anisotropy of spin splitting and the in-plane effective g-factor decrease with increasing temperature. PACS: 78.47.jm, 71.70.Ej, 75.75.+a, 72.25.Fe, PMID:21888636

Ab initio calculations of torsionally mediated hyperfine splittings in E states of acetaldehyde

NASA Astrophysics Data System (ADS)

Xu, Li-Hong; Reid, E. M.; Guislain, B.; Hougen, J. T.; Alekseev, E. A.; Krapivin, I.

2017-12-01

Quantum chemistry packages can be used to predict with reasonable accuracy spin-rotation hyperfine interaction constants for methanol, which contains one methyl-top internal rotor. In this work we use one of these packages to calculate components of the spin-rotation interaction tensor for acetaldehyde. We then use torsion-rotation wavefunctions obtained from a fit to the acetaldehyde torsion-rotation spectrum to calculate the expected magnitude of hyperfine splittings analogous to those observed at relatively high J values in the E symmetry states of methanol. We find that theory does indeed predict doublet splittings at moderate J values in the acetaldehyde torsion-rotation spectrum, which closely resemble those seen in methanol, but that the factor of three decrease in hyperfine spin-rotation constants compared to methanol puts the largest of the acetaldehyde splittings a factor of two below presently available Lamb-dip resolution.

Semi-implicit iterative methods for low Mach number turbulent reacting flows: Operator splitting versus approximate factorization

NASA Astrophysics Data System (ADS)

MacArt, Jonathan F.; Mueller, Michael E.

2016-12-01

Two formally second-order accurate, semi-implicit, iterative methods for the solution of scalar transport-reaction equations are developed for Direct Numerical Simulation (DNS) of low Mach number turbulent reacting flows. The first is a monolithic scheme based on a linearly implicit midpoint method utilizing an approximately factorized exact Jacobian of the transport and reaction operators. The second is an operator splitting scheme based on the Strang splitting approach. The accuracy properties of these schemes, as well as their stability, cost, and the effect of chemical mechanism size on relative performance, are assessed in two one-dimensional test configurations comprising an unsteady premixed flame and an unsteady nonpremixed ignition, which have substantially different Damköhler numbers and relative stiffness of transport to chemistry. All schemes demonstrate their formal order of accuracy in the fully-coupled convergence tests. Compared to a (non-)factorized scheme with a diagonal approximation to the chemical Jacobian, the monolithic, factorized scheme using the exact chemical Jacobian is shown to be both more stable and more economical. This is due to an improved convergence rate of the iterative procedure, and the difference between the two schemes in convergence rate grows as the time step increases. The stability properties of the Strang splitting scheme are demonstrated to outpace those of Lie splitting and monolithic schemes in simulations at high Damköhler number; however, in this regime, the monolithic scheme using the approximately factorized exact Jacobian is found to be the most economical at practical CFL numbers. The performance of the schemes is further evaluated in a simulation of a three-dimensional, spatially evolving, turbulent nonpremixed planar jet flame.

Core-level spectra and molecular deformation in adsorption: V-shaped pentacene on Al(001)

PubMed Central

Lin, He; Brivio, Gian Paolo; Floreano, Luca; Fratesi, Guido

2015-01-01

Summary By first-principle simulations we study the effects of molecular deformation on the electronic and spectroscopic properties as it occurs for pentacene adsorbed on the most stable site of Al(001). The rationale for the particular V-shaped deformed structure is discussed and understood. The molecule–surface bond is made evident by mapping the charge redistribution. Upon X-ray photoelectron spectroscopy (XPS) from the molecule, the bond with the surface is destabilized by the electron density rearrangement to screen the core hole. This destabilization depends on the ionized carbon atom, inducing a narrowing of the XPS spectrum with respect to the molecules adsorbed hypothetically undistorted, in full agreement to experiments. When looking instead at the near-edge X-ray absorption fine structure (NEXAFS) spectra, individual contributions from the non-equivalent C atoms provide evidence of the molecular orbital filling, hybridization, and interchange induced by distortion. The alteration of the C–C bond lengths due to the V-shaped bending decreases by a factor of two the azimuthal dichroism of NEXAFS spectra, i.e., the energy splitting of the sigma resonances measured along the two in-plane molecular axes. PMID:26734516

Fano-like resonances in split concentric nanoshell dimers in designing negative-index metamaterials for biological-chemical sensing and spectroscopic purposes.

PubMed

Ahmadivand, Arash; Karabiyik, Mustafa; Pala, Nezih

2015-05-01

In this study, we investigated numerically the plasmon response of a dimer configuration composed of a couple of split and concentric Au nanoshells in a complex orientation. We showed that an isolated composition of two concentric split nanoshells could be tailored to support strong plasmon resonant modes in the visible wavelengths. After determining the accurate geometric dimensions for the presented antisymmetric nanostructure, we designed a dimer array that shows complex behavior during exposure to different incident polarizations. We verified that the examined dimer was able to support destructive interference between dark and bright plasmon modes, which resulted in a pronounced Fano-like dip. Observation of a Fano minimum in such a simple molecular orientation of subwavelength particles opens new avenues for employing this structure in designing various practical plasmonic devices. Depositing the final dimer in a strong coupling condition on a semiconductor metasurface and measuring the effective refractive index at certain wavelengths, we demonstrate that each one of dimer units can be considered a meta-atom due to the high aspect ratio in the geometric parameters. Using this method, by extending the number of dimers periodically and illuminating the structure, we examined the isotropic, polarization-dependent, and transmission behavior of the metamaterial configuration. Using numerical methods and calculating the effective refractive indices, we computed and sketched corresponding figure of merit over the transmission window, where the maximum value obtained was 42.3 for Si and 54.6 for gallium phosphide (GaP) substrates.

Recent Progress in Metal‐Organic Frameworks for Applications in Electrocatalytic and Photocatalytic Water Splitting

PubMed Central

Wang, Wei; Xu, Xiaomin; Zhou, Wei

2017-01-01

The development of clean and renewable energy materials as alternatives to fossil fuels is foreseen as a potential solution to the crucial problems of environmental pollution and energy shortages. Hydrogen is an ideal energy material for the future, and water splitting using solar/electrical energy is one way to generate hydrogen. Metal‐organic frameworks (MOFs) are a class of porous materials with unique properties that have received rapidly growing attention in recent years for applications in water splitting due to their remarkable design flexibility, ultra‐large surface‐to‐volume ratios and tunable pore channels. This review focuses on recent progress in the application of MOFs in electrocatalytic and photocatalytic water splitting for hydrogen generation, including both oxygen and hydrogen evolution. It starts with the fundamentals of electrocatalytic and photocatalytic water splitting and the related factors to determine the catalytic activity. The recent progress in the exploitation of MOFs for water splitting is then summarized, and strategies for designing MOF‐based catalysts for electrocatalytic and photocatalytic water splitting are presented. Finally, major challenges in the field of water splitting are highlighted, and some perspectives of MOF‐based catalysts for water splitting are proposed. PMID:28435777

Long-term spectroscopic monitoring of the Luminous Blue Variable AG Carinae

NASA Astrophysics Data System (ADS)

Stahl, O.; Jankovics, I.; Kovács, J.; Wolf, B.; Schmutz, W.; Kaufer, A.; Rivinius, Th.; Szeifert, Th.

2001-08-01

We have extensively monitored the Luminous Blue Variable AG Car (HD 94910) spectroscopically. Our data cover the years 1989 to 1999. In this period, the star underwent almost a full S Dor cycle from visual minimum to maximum and back. Over several seasons, up to four months of almost daily spectra are available. Our data cover most of the visual spectral range with a high spectral resolution (lambda /Delta lambda ~ 20 000). This allows us to investigate the variability in many lines on time scales from days to years. The strongest variability occurs on a time scale of years. Qualitatively, the variations can be understood as changes of the effective temperature and radius, which are in phase with the optical light curve. Quantitatively, there are several interesting deviations from this behaviour, however. The Balmer lines show P Cygni profiles and have their maximum strength (both in equivalent width and line flux) after the peak of the optical light curve, at the descending branch of the light curve. The line-width during maximum phase is smaller than during minimum, but it has a local maximum close to the peak of the visual light curve. We derive mass-loss rates over the cycle from the Hα line and find the highest mass loss rates (log dot {M}/({M}_sun yr-1) ~ -3.8, about a factor of five higher than in the minimum, where we find log dot {M}/({M}_sun yr-1) ~ -4.5) after the visual maximum. Line-splitting is very commonly observed, especially on the rise to maximum and on the descending branch from maximum. The components are very long-lived (years) and are probably unrelated to similar-looking line-splitting events in normal supergiants. Small apparent accelerations of the components are observed. The change in radial velocity could be due to successive narrowing of the components, with the absorption disappearing at small expansion velocities first. In general, the line-splitting is more likely the result of missing absorption at intermediate velocities than of excess absorption at the velocities of the components. The HeI lines and other lines which form deep in the atmosphere show the most peculiar variations. The HeI lines show a central absorption with variable blue- and red-shifted emission components. Due to the variations of the emission components, the HeI lines can change their line profile from a normal P Cyg profile to an inverse P Cyg-profile or double-peak emission. In addition, very broad (+/-1500 km s-1) emission wings are seen at the strongest HeI lines of AG Car. At some phases, a blue-shifted absorption is also present. The central absorption of the HeI lines is blue-shifted before and red-shifted after maximum. Possibly, we directly see the expansion and contraction of the photosphere. If this explanation is correct, the velocity of the continuum-forming layer is not dominated by expansion but is only slightly oscillating around the systemic velocity. Based on observations collected at the European Southern Observatory at La Silla, Chile.

Active spectroscopic measurements of the bulk deuterium properties in the DIII-D tokamak (invited).

PubMed

Grierson, B A; Burrell, K H; Chrystal, C; Groebner, R J; Kaplan, D H; Heidbrink, W W; Muñoz Burgos, J M; Pablant, N A; Solomon, W M; Van Zeeland, M A

2012-10-01

The neutral-beam induced D(α) emission spectrum contains a wealth of information such as deuterium ion temperature, toroidal rotation, density, beam emission intensity, beam neutral density, and local magnetic field strength magnitude |B| from the Stark-split beam emission spectrum, and fast-ion D(α) emission (FIDA) proportional to the beam-injected fast ion density. A comprehensive spectral fitting routine which accounts for all photoemission processes is employed for the spectral analysis. Interpretation of the measurements to determine physically relevant plasma parameters is assisted by the use of an optimized viewing geometry and forward modeling of the emission spectra using a Monte-Carlo 3D simulation code.

Brittle Splitting Nails (Onychoschizia)

MedlinePlus

... more common in women. Only very rarely are internal disease or vitamin deficiencies the reason (iron deficiency is the most common). One tip is that if the fingernails split, but the toenails are strong, then an external factor is the cause. Basically brittle nails can be ...

Strain Measurements within Fibre Boards. Part II: Strain Concentrations at the Crack Tip of MDF Specimens Tested by the Wedge Splitting Method

PubMed Central

Sinn, Gerhard; Müller, Ulrich; Konnerth, Johannes; Rathke, Jörn

2012-01-01

This is the second part of an article series where the mechanical and fracture mechanical properties of medium density fiberboard (MDF) were studied. While the first part of the series focused on internal bond strength and density profiles, this article discusses the fracture mechanical properties of the core layer. Fracture properties were studied with a wedge splitting setup. The critical stress intensity factors as well as the specific fracture energies were determined. Critical stress intensity factors were calculated from maximum splitting force and two-dimensional isotropic finite elements simulations of the specimen geometry. Size and shape of micro crack zone were measured with electronic laser speckle interferometry. The process zone length was approx. 5 mm. The specific fracture energy was determined to be 45.2 ± 14.4 J/m2 and the critical stress intensity factor was 0.11 ± 0.02 MPa.

Implicit flux-split schemes for the Euler equations

NASA Technical Reports Server (NTRS)

Thomas, J. L.; Walters, R. W.; Van Leer, B.

1985-01-01

Recent progress in the development of implicit algorithms for the Euler equations using the flux-vector splitting method is described. Comparisons of the relative efficiency of relaxation and spatially-split approximately factored methods on a vector processor for two-dimensional flows are made. For transonic flows, the higher convergence rate per iteration of the Gauss-Seidel relaxation algorithms, which are only partially vectorizable, is amply compensated for by the faster computational rate per iteration of the approximately factored algorithm. For supersonic flows, the fully-upwind line-relaxation method is more efficient since the numerical domain of dependence is more closely matched to the physical domain of dependence. A hybrid three-dimensional algorithm using relaxation in one coordinate direction and approximate factorization in the cross-flow plane is developed and applied to a forebody shape at supersonic speeds and a swept, tapered wing at transonic speeds.

Extracting Spectroscopic Factors of Argon Isotopes from Transfer Reactions

NASA Astrophysics Data System (ADS)

Manfredi, Juan; Lee, J.; Tsang, M. B.; Lynch, W. G.; Barney, J.; Estee, J.; Sweany, S.; Brown, K. W.; Cerizza, G.; Anderson, C.; Setiawan, H.; Loelius, C.; Xu, Z.; Rogers, A. M.; Pruitt, C.; Sobotka, L. G.; Elson, J. M.; Langer, C.; Chajecki, Z.; Chen, G.; Jones, K. L.; Smith, K.; Xiao, Z.; Li, Z.; Winkelbauer, J. R.

2017-01-01

A spectroscopic factor (SF) quantifies the single particle occupancy of a given state in a nucleus. For the argon isotopes, there is a discrepancy of the SF between studies that use transfer reactions and knockout reactions. Understanding the SFs of these isotopes, and in particular how the SF changes across the isotopic chain, is important for understanding how single particle structure changes with neutron number. The transfer reactions 34Ar(p,d) and 46Ar(p,d) were measured at the National Superconducting Cyclotron Laboratory (NSCL) using the same beam energy (70 MeV/u) as from the previous knockout measurement. Spectroscopic factors were extracted from measured angular distributions via ADWA calculations. Preliminary findings will be presented. The National Superconducting Cyclotron Laboratory is supported by the NSF (PHY 1102511), and Juan Manfredi is supported by the DOE NNSA Stewardship Science Graduate Fellowship.

Are Comets 42P/Neujmin 3 and 53P/Van Biesbroeck Parts of one Comet?

NASA Astrophysics Data System (ADS)

Pittichova, J.; Meech, K. J.; Valsecchi, G. B.; Pittich, E. M.

2003-05-01

We want to present preliminary results of the observations of the physical parameters of comets 42P/Neujmin 3 and 53P/Van Biesbroeck: brightness, nucleus activity, rotation period, light-curve and color changes from our first three optical observing runs (March, and May 2003) at Mauna Kea, using UH 2.2m telescope and Tek2048 CCD camera. Comets 42P/Neujmin 3 and 53P/Van Biesbroeck have very well determined orbits, and their orbital histories are very interesting. Their current orbits are not very similar to each other; however, numerical integrations have shown that both comets had a rather close approach to Jupiter in January 1850, and that, before 1850, the two orbits were nearly identical. Given the extremely low probability of a chance coincidence of the six orbital elements at a given time, the natural conclusion is that the two objects are fragments of a single comet that split sometime in the late 1849 or early 1850. Among the known cases of split periodic comets, this one is peculiar for a number of reasons: 1. the splitting was probably not due to tidal stresses, since the 1850 encounter with Jupiter took place well outside the Roche lobe; 2. it is the only case discovered through a dynamical study; 3. in the only other case of splitting of a Jupiter family comet, that of 3D/Biela, the fragments did not survive for more than a couple of revolutions, whereas in the present case both fragments have passed perihelion more than ten times since the splitting. If these two comets are fragments of a single parent body, then they should show a certain degree of physical and chemical similarity, which we would like to obtain from spectroscopic observation in 2004, when both comets are close to their perihelion. Acknowledgments: Support for this work was provided by NASA Grant No. NAG5-12236 and Scientific Grant Agency VEGA of the Slovak Academy of Sciences, grant No. 2/1005/21.

Apex-angle-dependent resonances in triangular split-ring resonators

NASA Astrophysics Data System (ADS)

Burnett, Max A.; Fiddy, Michael A.

2016-02-01

Along with other frequency selective structures (Pendry et al. in IEEE Trans Microw Theory Tech 47(11):2075-2084, 1999) (circles and squares), triangular split-ring resonators (TSRRs) only allow frequencies near the center resonant frequency to propagate. Further, TSRRs are attractive due to their small surface area (Vidhyalakshmi et al. in Stopband characteristics of complementary triangular split ring resonator loaded microstrip line, 2011), comparatively, and large quality factors ( Q) as previously investigated by Gay-Balmaz et al. (J Appl Phys 92(5):2929-2936, 2002). In this work, we examine the effects of varying the apex angle on the resonant frequency, the Q factor, and the phase shift imparted by the TSRR element within the GHz frequency regime.

Concentric Split Flow Filter

NASA Technical Reports Server (NTRS)

Stapleton, Thomas J. (Inventor)

2015-01-01

A concentric split flow filter may be configured to remove odor and/or bacteria from pumped air used to collect urine and fecal waste products. For instance, filter may be designed to effectively fill the volume that was previously considered wasted surrounding the transport tube of a waste management system. The concentric split flow filter may be configured to split the air flow, with substantially half of the air flow to be treated traveling through a first bed of filter media and substantially the other half of the air flow to be treated traveling through the second bed of filter media. This split flow design reduces the air velocity by 50%. In this way, the pressure drop of filter may be reduced by as much as a factor of 4 as compare to the conventional design.

Irrational beliefs, attitudes about competition, and splitting.

PubMed

Watson, P J; Morris, R J; Miller, L

2001-03-01

Rational-Emotive Behavior Therapy (REBT) theoretically promotes actualization of both individualistic and social-oriented potentials. In a test of this assumption, the Belief Scale and subscales from the Survey of Personal Beliefs served as measures of what REBT presumes to be pathogenic irrationalities. These measures were correlated with the Hypercompetitive Attitude Scale (HCAS), the Personal Development Competitive Attitude Scale (PDCAS), factors from the Splitting Index, and self-esteem. Results for the HCAS and Self-Splitting supported the REBT claim about individualistic self-actualization. Mostly nonsignificant and a few counterintuitive linkages were observed for irrational beliefs with the PDCAS, Family-Splitting, and Other-Splitting, and these data suggested that REBT may be less successful in capturing the "rationality" of a social-oriented self-actualization. Copyright 2001 John Wiley & Sons, Inc.

Patterns of split sex ratio in ants have multiple evolutionary causes based on different within-colony conflicts

PubMed Central

Kümmerli, Rolf; Keller, Laurent

2009-01-01

Split sex ratio—a pattern where colonies within a population specialize in either male or queen production—is a widespread phenomenon in ants and other social Hymenoptera. It has often been attributed to variation in colony kin structure, which affects the degree of queen–worker conflict over optimal sex allocation. However, recent findings suggest that split sex ratio is a more diverse phenomenon, which can evolve for multiple reasons. Here, we provide an overview of the main conditions favouring split sex ratio. We show that each split sex-ratio type arises due to a different combination of factors determining colony kin structure, queen or worker control over sex ratio and the type of conflict between colony members. PMID:19457886

Classes of Split-Plot Response Surface Designs for Equivalent Estimation

NASA Technical Reports Server (NTRS)

Parker, Peter A.; Kowalski, Scott M.; Vining, G. Geoffrey

2006-01-01

When planning an experimental investigation, we are frequently faced with factors that are difficult or time consuming to manipulate, thereby making complete randomization impractical. A split-plot structure differentiates between the experimental units associated with these hard-to-change factors and others that are relatively easy-to-change and provides an efficient strategy that integrates the restrictions imposed by the experimental apparatus. Several industrial and scientific examples are presented to illustrate design considerations encountered in the restricted randomization context. In this paper, we propose classes of split-plot response designs that provide an intuitive and natural extension from the completely randomized context. For these designs, the ordinary least squares estimates of the model are equivalent to the generalized least squares estimates. This property provides best linear unbiased estimators and simplifies model estimation. The design conditions that allow for equivalent estimation are presented enabling design construction strategies to transform completely randomized Box-Behnken, equiradial, and small composite designs into a split-plot structure.

Spectroscopic factors near the r-process path using (d , p) measurements at two energies

NASA Astrophysics Data System (ADS)

Walter, D.; Cizewski, J. A.; Baugher, T.; Ratkiewicz, A.; Manning, B.; Pain, S. D.; Nunes, F. M.; Ahn, S.; Cerizza, G.; Thornsberry, C.; Jones, K. L.

2016-09-01

To determine spectroscopic factors, it is necessary to use a nuclear reaction model that is dependent on the bound-state potential. A poorly constrained potential can drastically increase uncertainties in extracted spectroscopic factors. Mukhamedzhanov and Nunes have proposed a technique to mitigate this uncertainty by combining transfer reaction measurements at two energies. At peripheral reaction energies ( 5 MeV/u), the external contribution of the wave function can be reliably extracted, and then combined with the higher energy reaction ( 40 MeV/u) with a larger contribution from the interior. The two measurements will constrain the single-particle asymptotic normalization coefficient, ANC, and enable spectroscopic factors to be determined with uncertainties dominated by the cross section measurements rather than in the bound-state potential. Published measurements of 86Kr(d , p) at 5.5 MeV/u have been combined with recent results at 35 MeV/u at the NSCL using the ORRUBA and SIDAR arrays of silicon-strip detectors. Preliminary analysis shows that the single-particle ANC can be constrained. The details of the analysis and prospects for measurements with rare isotope beams will be presented. This research by the ORRUBA Collaboration is supported in part by the NSF and the U.S. DOE.

Library of synthetic transcriptional AND gates built with split T7 RNA polymerase mutants

PubMed Central

Shis, David L.; Bennett, Matthew R.

2013-01-01

The construction of synthetic gene circuits relies on our ability to engineer regulatory architectures that are orthogonal to the host’s native regulatory pathways. However, as synthetic gene circuits become larger and more complicated, we are limited by the small number of parts, especially transcription factors, that work well in the context of the circuit. The current repertoire of transcription factors consists of a limited selection of activators and repressors, making the implementation of transcriptional logic a complicated and component-intensive process. To address this, we modified bacteriophage T7 RNA polymerase (T7 RNAP) to create a library of transcriptional AND gates for use in Escherichia coli by first splitting the protein and then mutating the DNA recognition domain of the C-terminal fragment to alter its promoter specificity. We first demonstrate that split T7 RNAP is active in vivo and compare it with full-length enzyme. We then create a library of mutant split T7 RNAPs that have a range of activities when used in combination with a complimentary set of altered T7-specific promoters. Finally, we assay the two-input function of both wild-type and mutant split T7 RNAPs and find that regulated expression of the N- and C-terminal fragments of the split T7 RNAPs creates AND logic in each case. This work demonstrates that mutant split T7 RNAP can be used as a transcriptional AND gate and introduces a unique library of components for use in synthetic gene circuits. PMID:23479654

Library of synthetic transcriptional AND gates built with split T7 RNA polymerase mutants.

PubMed

Shis, David L; Bennett, Matthew R

2013-03-26

The construction of synthetic gene circuits relies on our ability to engineer regulatory architectures that are orthogonal to the host's native regulatory pathways. However, as synthetic gene circuits become larger and more complicated, we are limited by the small number of parts, especially transcription factors, that work well in the context of the circuit. The current repertoire of transcription factors consists of a limited selection of activators and repressors, making the implementation of transcriptional logic a complicated and component-intensive process. To address this, we modified bacteriophage T7 RNA polymerase (T7 RNAP) to create a library of transcriptional AND gates for use in Escherichia coli by first splitting the protein and then mutating the DNA recognition domain of the C-terminal fragment to alter its promoter specificity. We first demonstrate that split T7 RNAP is active in vivo and compare it with full-length enzyme. We then create a library of mutant split T7 RNAPs that have a range of activities when used in combination with a complimentary set of altered T7-specific promoters. Finally, we assay the two-input function of both wild-type and mutant split T7 RNAPs and find that regulated expression of the N- and C-terminal fragments of the split T7 RNAPs creates AND logic in each case. This work demonstrates that mutant split T7 RNAP can be used as a transcriptional AND gate and introduces a unique library of components for use in synthetic gene circuits.

Microwave Spectra and AB Initio Studies of the Ne-Acetone Complex

NASA Astrophysics Data System (ADS)

Gao, Jiao; Thomas, Javix; Xu, Yunjie; Jäger, Wolfgang

2015-06-01

Microwave spectra of the neon-acetone van der Waals complex were measured using a cavity-based molecular beam Fourier-transform microwave spectrometer in the region from 5 to 18 GHz. Both 20Ne and 22Ne containing isotopologues were studied and both c- and weaker a-type rotational transitions were observed. The transitions are split into multiplets due to the internal rotation of two methyl groups in acetone. Electronic structure calculations were done at the MP2 level of theory with the 6-311++g (2d, p) basis set for all atoms and the internal rotation barrier height of the methyl groups was determined to be about 2.8 kJ/mol. The ab initio rotational constants were the basis for our spectroscopic searches, but the multiplet structures and floppiness of the complex made the quantum number assignment very difficult. The assignment was finally achieved with the aid of constructing closed frequency loops and predicting internal rotation splittings using the XIAM code. Analyses of the spectra yielded rotational and centrifugal distortion constants, as well as internal rotation parameters, which were interpreted in terms of structure and internal dynamics of the complex. H. Hartwig and H. Dreizler, Z. Naturforsch. A 51, 923 (1996).

Structural, spectroscopic and theoretical studies on 3,4,7,8-tetramethyl-1,10-phenantroline complex with picric acid

NASA Astrophysics Data System (ADS)

Bator, G.; Sobczyk, L.; Sawka-Dobrowolska, W.; Wuttke, J.; Pawlukojć, A.; Grech, E.; Nowicka-Scheibe, J.

2013-01-01

The almost planar molecular complex, formed by 3,4,7,8-tetramethyl-phenantroline (Me4phen) and picric acid (2,4,6-trinitrophenol, PA), has been investigated by using X-ray diffraction, vibrational spectroscopy, tunnel splitting and theoretical analysis. In the crystal of Me4phen·PA two short bifurcated hydrogen bonds N+-H···O- [2.6238(14) Å] and N+-H···N [2.6898(15) Å] are created. Infra-red spectra show the hydrogen bonds are short. The neutron backscattering spectrum of Me4phenṡPA at 3 K shows two tunneling peaks at ca. 1 and 3 μeV. The number of the peaks is consistent with X-ray diffraction studies, which disclosed the inequivalence of methyl groups in the crystal structure. The comparison of the tunnel splitting for neat Me4phen and for its complex with picric acid indicates that in the latter case the methyl groups are more strongly engaged in the intermolecular interactions, particularly with nitro group oxygen atoms of picric acid, leading to an increase of the CH3 rotational barrier height.

Sub-Coulomb He 3 transfer and its use to extract three-particle asymptotic normalization coefficients

DOE PAGES

Avila, M. L.; Baby, L. T.; Belarge, J.; ...

2018-01-22

In this work, data for the 13C( 6Li,t) 16O reaction, obtained in inverse kinematics at a 13C incident energy of 7.72 MeV, are presented. A distorted wave Born approximation (DWBA) analysis was used to extract spectroscopic factors and asymptotic normalization coefficients (ANCs) for the < 16O | 13C + 3He> overlaps, subject to the assumption of a fixed < 6Li | 3He + 3H> overlap. The variation of the extracted spectroscopic factors and ANCs as a function of various inputs to the DWBA calculations was explored. The extracted ANCs were found to vary as a cubic function of the radiusmore » of the potential well binding the transferred 3He to the 13C core while the spectroscopic factors varied as a quartic function of the radius. Finally, the ANC values could be determined to within a factor of two for this system.« less

Sub-Coulomb He 3 transfer and its use to extract three-particle asymptotic normalization coefficients

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

Avila, M. L.; Baby, L. T.; Belarge, J.

In this work, data for the 13C( 6Li,t) 16O reaction, obtained in inverse kinematics at a 13C incident energy of 7.72 MeV, are presented. A distorted wave Born approximation (DWBA) analysis was used to extract spectroscopic factors and asymptotic normalization coefficients (ANCs) for the < 16O | 13C + 3He> overlaps, subject to the assumption of a fixed < 6Li | 3He + 3H> overlap. The variation of the extracted spectroscopic factors and ANCs as a function of various inputs to the DWBA calculations was explored. The extracted ANCs were found to vary as a cubic function of the radiusmore » of the potential well binding the transferred 3He to the 13C core while the spectroscopic factors varied as a quartic function of the radius. Finally, the ANC values could be determined to within a factor of two for this system.« less

Sub-Coulomb 3He transfer and its use to extract three-particle asymptotic normalization coefficients

NASA Astrophysics Data System (ADS)

Avila, M. L.; Baby, L. T.; Belarge, J.; Keeley, N.; Kemper, K. W.; Koshchiy, E.; Kuchera, A. N.; Rogachev, G. V.; Rusek, K.; Santiago-Gonzalez, D.

2018-01-01

Data for the 13C(6Li,t )16O reaction, obtained in inverse kinematics at a 13C incident energy of 7.72 MeV, are presented. A distorted wave Born approximation (DWBA) analysis was used to extract spectroscopic factors and asymptotic normalization coefficients (ANCs) for the 〈" close="〉6Li∣3He +3H 〉">16O∣13C +3He overlaps, subject to the assumption of a fixed Hospital survey on patient safety culture: psychometric analysis on a Scottish sample.

PubMed

Sarac, Cakil; Flin, Rhona; Mearns, Kathryn; Jackson, Jeanette

2011-10-01

To investigate the psychometric properties of the Hospital Survey on Patient Safety Culture on a Scottish NHS data set. The data were collected from 1969 clinical staff (estimated 22% response rate) from one acute hospital from each of seven Scottish Health boards. Using a split-half validation technique, the data were randomly split; an exploratory factor analysis was conducted on the calibration data set, and confirmatory factor analyses were conducted on the validation data set to investigate and check the original US model fit in a Scottish sample. Following the split-half validation technique, exploratory factor analysis results showed a 10-factor optimal measurement model. The confirmatory factor analyses were then performed to compare the model fit of two competing models (10-factor alternative model vs 12-factor original model). An S-B scaled χ(2) square difference test demonstrated that the original 12-factor model performed significantly better in a Scottish sample. Furthermore, reliability analyses of each component yielded satisfactory results. The mean scores on the climate dimensions in the Scottish sample were comparable with those found in other European countries. This study provided evidence that the original 12-factor structure of the Hospital Survey on Patient Safety Culture scale has been replicated in this Scottish sample. Therefore, no modifications are required to the original 12-factor model, which is suggested for use, since it would allow researchers the possibility of cross-national comparisons.

MSE spectrograph optical design: a novel pupil slicing technique

NASA Astrophysics Data System (ADS)

Spanò, P.

2014-07-01

The Maunakea Spectroscopic Explorer shall be mainly devoted to perform deep, wide-field, spectroscopic surveys at spectral resolutions from ~2000 to ~20000, at visible and near-infrared wavelengths. Simultaneous spectral coverage at low resolution is required, while at high resolution only selected windows can be covered. Moreover, very high multiplexing (3200 objects) must be obtained at low resolution. At higher resolutions a decreased number of objects (~800) can be observed. To meet such high demanding requirements, a fiber-fed multi-object spectrograph concept has been designed by pupil-slicing the collimated beam, followed by multiple dispersive and camera optics. Different resolution modes are obtained by introducing anamorphic lenslets in front of the fiber arrays. The spectrograph is able to switch between three resolution modes (2000, 6500, 20000) by removing the anamorphic lenses and exchanging gratings. Camera lenses are fixed in place to increase stability. To enhance throughput, VPH first-order gratings has been preferred over echelle gratings. Moreover, throughput is kept high over all wavelength ranges by splitting light into more arms by dichroic beamsplitters and optimizing efficiency for each channel by proper selection of glass materials, coatings, and grating parameters.

Investigations of the optical and EPR data and local structure for the trigonal tetrahedral Co2+ centers in LiGa5O8: Co2+ crystal

NASA Astrophysics Data System (ADS)

He, Jian; Liao, Bi-Tao; Mei, Yang; Liu, Hong-Gang; Zheng, Wen-Chen

2018-01-01

In this paper, we calculate uniformly the optical and EPR data for Co2+ ion at the trigonal tetrahedral Ga3+ site in LiGa5O8 crystal from the complete diagonalization (of energy matrix) method founded on the two-spin-orbit-parameter model, where the contributions to the spectroscopic data from both the spin-orbit parameter of dn ion (in the classical crystal field theory) and that of ligand ions are contained. The calculated ten spectroscopic data (seven optical bands and three spin-Hamiltonian parameters g//, g⊥ and D) with only four adjustable parameters are in good agreement with the available observed values. Compared with the host (GaO4)5- cluster, the great angular distortion and hence the great trigonal distortion of (CoO4)6- impurity center obtained from the calculations are referred to the large charge and size mismatch substitution. This explains reasonably the observed great g-anisotropy Δg (= g// - g⊥) and zero-field splitting D for the (CoO4)6- cluster in LiGa5O8: Co2+ crystal.

Chemical and spectroscopic characteristics of potassium white micas related to polystage evolution of the Central Western Carpathians orogenic wedge

NASA Astrophysics Data System (ADS)

Sulák, Marián; Kaindl, Reinhard; Putiš, Marián; Sitek, Jozef; Krenn, Kurt; Tóth, Ignác

2009-12-01

Potassium white micas in sheared basement and cover rocks from the Central Western Carpathians (CWC) were investigated by PL microscopy, electron microprobe (EMP) analysis, Mössbauer and micro-Raman spectroscopy. We specified chemical and spectroscopic characteristics, which allow distinction between celadonite-poor (muscovitic) and celadonite-rich (phengitic) white mica (Wmca). Wmca generations formed during a polystage evolution in changing P- T conditions ranging from the very low to medium temperatures at medium pressure within the Alpidic CWC orogenic wedge. BSE imaging, EMP analyses and X-ray element maps indicate chemical differences between muscovite and phengite, mainly in Al, Fe and Si contents. Mössbauer spectroscopy revealed their contrasting spectra, related to different hyperfine parameters, mainly of quadrupole splitting (QS of Ms: 2.6-2.7 mm/s, or 2.9-3.0 mm/s for Phg), corresponding to Fe 2+ and Fe 3+ contents. Blastomylonitic samples with a single dominating Wmca generation and finite-strain XZ sections were suitable for micro-Raman study. These data corroborate correlation between the frequencies of two vibrational modes of Wmca and Si content. The investigated Wmca generations indicate an enhanced transformation between Wmca phases in shear zones.

Development of a spectroscopic technique for simultaneous magnetic field, electron density, and temperature measurements in ICF-relevant plasmas.

PubMed

Dutra, E C; Koch, J A; Presura, R; Angermeier, W A; Darling, T; Haque, S; Mancini, R C; Covington, A M

2016-11-01

Spectroscopic techniques in the visible range are often used in plasma experiments to measure B-field induced Zeeman splitting, electron densities via Stark broadening, and temperatures from Doppler broadening. However, when electron densities and temperatures are sufficiently high, the broadening of the Stark and Doppler components can dominate the emission spectra and obscure the Zeeman component. In this research, we are developing a time-resolved multi-axial technique for measuring the Zeeman, Stark, and Doppler broadened line emission of dense magnetized plasmas for Z-pinch and Dense Plasma Focus (DPF) accelerators. The line emission is used to calculate the electron densities, temperatures, and B-fields. In parallel, we are developing a line-shape modeling code that incorporates the broadening effects due to Stark, Doppler, and Zeeman effects for dense magnetized plasma. This manuscript presents the details of the experimental setup and line shape code, along with the results obtained from an Al iii doublet at the University of Nevada, Reno at Nevada Terawatt Facility. Future tests are planned to further evaluate the technique and modeling on other material wire array, gas puff, and DPF platforms.

Multi-mode ultra-strong coupling (I): spectroscopic experiments using a vacuum-gap transmon circuit architecture

NASA Astrophysics Data System (ADS)

Bosman, Sal J.; Gely, Mario F.; Singh, Vibhor; Bruno, Alessandro; Bothner, Daniel; Steele, Gary A.

In circuit QED, multi-mode extensions of the quantum Rabi model suffer from divergence problems. Here, we spectroscopically study multi-mode ultra-strong coupling using a transmon circuit architecture, which provides no clear guidelines on how many modes play a role in the dynamics of the system. As our transmon qubit, we employ a suspended island above the voltage anti-node of a λ / 4 coplanar microwave resonator, thereby realising a circuit where 88% of the qubit capacitance is formed by a vacuum-gap capacitor with the center conductor of the resonator. We measure vacuum Rabi splitting over multiple modes up to 2 GHz, reaching coupling ratios of g / ω = 0 . 18 , well within the ultra-strong coupling regime. We observe a qubit-mediated mode coupling, measurable up to the fifth mode at 38 GHz. Using a novel analytical quantum circuit model of this architecture, which includes all modes without introducing divergencies, we are able to fit the full spectrum and extract a vacuum fluctuations induced Bloch-Siegert shift of up to 62 MHz. This circuit architecture expands the versatility of the transmon technology platform and opens many possibilities in multi-mode physics in the ultra-strong coupling regime.

High-pressure studies on nanocrystalline borderline Co1-xFexS2 (x = 0.4 and 0.5) using Mössbauer spectroscopic and electrical resistivity techniques up to 8 GPa

NASA Astrophysics Data System (ADS)

Chandra, Usha; Sharma, Pooja; Parthasarathy, G.

2016-12-01

Like bulk, Co1-xFexS2 nanoparticles also display an anomaly at x = 0.5. The borderline contiguous Co1-xFexS2 (x = 0.4 and 0.5) nanoparticles were synthesized with colloidal method and characterized for pyrite structure using various techniques, viz., X-ray diffraction, energy dispersive X-ray analysis (EDAX), S K-edge X-ray absorption near edge spectra, transmission electron microscopy (TEM) and Fourier transformed infra-red spectroscopy. The report presents the effect of high pressure on the borderline compositions using the Mössbauer spectroscopic and electrical resistivity techniques. Magnetic measurements on the system showed drastic lowering of Tc due to nanosize of the particles. With increased pressure, quadrupole splitting showed an expected trend of increase to attain a peak representing a second-order phase transition between 4 and 5 GPa for both the compositions. The pressure coefficient of electrical resistivity varied from -0.02 GPa to -0.06 GPa across transition pressure indicating a sluggish nature of transition. This is the first report of pressure effect on nanosized borderline compositions.

Experimental 64Zn(d⃗,t)63Zn spectroscopic factors: Guidance for isospin-symmetry-breaking calculations

NASA Astrophysics Data System (ADS)

Leach, K. G.; Garrett, P. E.; Towner, I. S.; Ball, G. C.; Bildstein, V.; Brown, B. A.; Demand, G. A.; Faestermann, T.; Finlay, P.; Green, K. L.; Hertenberger, R.; Krücken, R.; Phillips, A. A.; Rand, E. T.; Sumithrarachchi, C. S.; Svensson, C. E.; Triambak, S.; Wirth, H.-F.; Wong, J.

2013-06-01

With the recent inclusion of core orbitals to the radial-overlap component of the isospin-symmetry-breaking (ISB) corrections for superallowed Fermi β decay, experimental data are needed to test the validity of the theoretical model. This work reports measurements of single-neutron pickup reaction spectroscopic factors into 63Zn, one neutron away from 62Zn, the superallowed daughter of 62Ga. The experiment was performed using a 22-MeV polarized deuteron beam, a Q3D magnetic spectrograph, and a cathode-strip focal-plane detector to analyze outgoing tritons at nine angles between 10∘ and 60∘. Angular distributions and vector analyzing powers were obtained for all 162 observed states in 63Zn, including 125 newly observed levels, up to an excitation energy of 4.8 MeV. Spectroscopic factors are extracted and compared to several shell-model predictions, and implications for the ISB calculations are discussed.

Three-dimensional multigrid algorithms for the flux-split Euler equations

NASA Technical Reports Server (NTRS)

Anderson, W. Kyle; Thomas, James L.; Whitfield, David L.

1988-01-01

The Full Approximation Scheme (FAS) multigrid method is applied to several implicit flux-split algorithms for solving the three-dimensional Euler equations in a body fitted coordinate system. Each of the splitting algorithms uses a variation of approximate factorization and is implemented in a finite volume formulation. The algorithms are all vectorizable with little or no scalar computation required. The flux vectors are split into upwind components using both the splittings of Steger-Warming and Van Leer. The stability and smoothing rate of each of the schemes are examined using a Fourier analysis of the complete system of equations. Results are presented for three-dimensional subsonic, transonic, and supersonic flows which demonstrate substantially improved convergence rates with the multigrid algorithm. The influence of using both a V-cycle and a W-cycle on the convergence is examined.

A Prospective, Randomized, Double-blind, Split-face Clinical Trial Comparing the Efficacy of Two Topical Human Growth Factors for the Rejuvenation of the Aging Face

PubMed Central

Goldman, Mitchel P.

2017-01-01

Background: Cosmeceutical products represent an increasingly important therapeutic option for anti-aging and rejuvenation, either used alone or in combination with dermatologic surgical procedures. Among this group of products, topical growth factors have demonstrated efficacy in randomized, controlled clinical trials. However, comparisons between different products remain uncommon. Objective: The objective of this randomized, double-blind, split-face clinical trial was to compare two different topical growth factor formulations derived from either human fibroblasts or human adipose tissue derived mesenchymal stem cells. Methods: This was an institutional review board-approved, randomized, double-blind, split-face clinical trial involving 20 healthy subjects with moderate-to-severe facial wrinkling secondary to photodamage. One half of the face was randomized to receive topical human fibroblast growth factors and the other topical human mesenchymal stem cell growth factors. Treatment was continued for three months, and evaluations were performed in a double-blind fashion. Results: Both growth factor formulations achieved significant improvement in facial wrinkling. Blinded investigator and subject evaluations did not detect any significant differences between the two formulations in terms of efficacy, safety, or tolerability. Conclusion: Both human fibroblast growth factors and human mesenchymal stem cell growth factors are effective at facial rejuvenation. Topical growth factors represent a useful therapeutic modality. PMID:28670356

A Prospective, Randomized, Double-blind, Split-face Clinical Trial Comparing the Efficacy of Two Topical Human Growth Factors for the Rejuvenation of the Aging Face.

PubMed

Wu, Douglas C; Goldman, Mitchel P

2017-05-01

Background: Cosmeceutical products represent an increasingly important therapeutic option for anti-aging and rejuvenation, either used alone or in combination with dermatologic surgical procedures. Among this group of products, topical growth factors have demonstrated efficacy in randomized, controlled clinical trials. However, comparisons between different products remain uncommon. Objective: The objective of this randomized, double-blind, split-face clinical trial was to compare two different topical growth factor formulations derived from either human fibroblasts or human adipose tissue derived mesenchymal stem cells. Methods: This was an institutional review board-approved, randomized, double-blind, split-face clinical trial involving 20 healthy subjects with moderate-to-severe facial wrinkling secondary to photodamage. One half of the face was randomized to receive topical human fibroblast growth factors and the other topical human mesenchymal stem cell growth factors. Treatment was continued for three months, and evaluations were performed in a double-blind fashion. Results: Both growth factor formulations achieved significant improvement in facial wrinkling. Blinded investigator and subject evaluations did not detect any significant differences between the two formulations in terms of efficacy, safety, or tolerability. Conclusion: Both human fibroblast growth factors and human mesenchymal stem cell growth factors are effective at facial rejuvenation. Topical growth factors represent a useful therapeutic modality.

Quantitative properties of clustering within modern microscopic nuclear models

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

Volya, A.; Tchuvil’sky, Yu. M., E-mail: tchuvl@nucl-th.sinp.msu.ru

2016-09-15

A method for studying cluster spectroscopic properties of nuclear fragmentation, such as spectroscopic amplitudes, cluster form factors, and spectroscopic factors, is developed on the basis of modern precision nuclear models that take into account the mixing of large-scale shell-model configurations. Alpha-cluster channels are considered as an example. A mathematical proof of the need for taking into account the channel-wave-function renormalization generated by exchange terms of the antisymmetrization operator (Fliessbach effect) is given. Examples where this effect is confirmed by a high quality of the description of experimental data are presented. By and large, the method in question extends substantially themore » possibilities for studying clustering phenomena in nuclei and for improving the quality of their description.« less

Design, synthesis, molecular docking, anti-Proteus mirabilis and urease inhibition of new fluoroquinolone carboxylic acid derivatives.

PubMed

Abdullah, Mohammed A A; Abuo-Rahma, Gamal El-Din A A; Abdelhafez, El-Shimaa M N; Hassan, Heba A; Abd El-Baky, Rehab M

2017-02-01

New hydroxamic acid, hydrazide and amide derivatives of ciprofloxacin in addition to their analogues of levofloxacin were prepared and identified by different spectroscopic techniques. Some of the prepared compounds revealed good activity against the urease splitting bacteria, Proteus mirabilis. The urease inhibitory activity was investigated using indophenol method. Most of the tested compounds showed better activity than the reference acetohydroxamic acid (AHA). The ciprofloxacin hydrazide derivative 3a and levofloxacin hydroxamic acid 7 experienced the highest activity (IC 50 =1.22μM and 2.20μM, respectively). Molecular docking study revealed high spontaneous binding ability of the tested compounds to the active site of urease. Copyright © 2016 Elsevier Inc. All rights reserved.

Photodissociation spectroscopy and ab initio calculations for the Sr +-N 2 complex

NASA Astrophysics Data System (ADS)

Massaouti, Maria; Fanourgakis, George S.; Velegrakis, Michalis

2010-04-01

Electronic vibrationally resolved spectra of the Sr +-N 2 complex have been recorded in two energy regions 20 284-22 988 cm -1 and 15 576-16 380 cm -1. In the high energy region, two progressions are present and they are attributed to the (2) 2Π 3/2,1/2 ← X2Σ+ transitions assuming a linear molecule. This linear configuration is supported from the observed spin-orbit splitting of these excited states as well as from electronic structure calculations. The lower energy spectrum shows a structure, which ends up to a continuum. Considering the complex as an anharmonic oscillator, the spectroscopic constants and the dissociation energies of the corresponding states are determined.

Refinements in the description of excited VRT states of the water dimer

NASA Astrophysics Data System (ADS)

Harker, H. A.; Keutsch, F. N.; Leforestier, C.; Scribano, Y.; Han, J.-X.; Saykally, R. J.

2007-03-01

Extensive new spectroscopic measurements are combined with a global analysis of the ground state data in order to re-examine and to refine the description of the excited vibration rotation tunneling (VRT) states of the water dimer. Notably, six new 'donor torsion' subbands are analytically identified, current vibrational assignments of the Ka = 1 stacks are reassessed, the previously reported (H2O)2 donor torsion overtone (DT)2 and hydrogen bond stretch (S) data sets are augmented, and four new (S) subbands have been measured. Unusually large Coriolis effects are predicted, excited state E2 ↔ E1 assignments are reinforced, and possibilities of experimentally determining ground state AS splitting in (H2O)2 from excited state data are discussed.

Visualizing multiple inter-organelle contact sites using the organelle-targeted split-GFP system.

PubMed

Kakimoto, Yuriko; Tashiro, Shinya; Kojima, Rieko; Morozumi, Yuki; Endo, Toshiya; Tamura, Yasushi

2018-04-18

Functional integrity of eukaryotic organelles relies on direct physical contacts between distinct organelles. However, the entity of organelle-tethering factors is not well understood due to lack of means to analyze inter-organelle interactions in living cells. Here we evaluate the split-GFP system for visualizing organelle contact sites in vivo and show its advantages and disadvantages. We observed punctate GFP signals from the split-GFP fragments targeted to any pairs of organelles among the ER, mitochondria, peroxisomes, vacuole and lipid droplets in yeast cells, which suggests that these organelles form contact sites with multiple organelles simultaneously although it is difficult to rule out the possibilities that these organelle contacts sites are artificially formed by the irreversible associations of the split-GFP probes. Importantly, split-GFP signals in the overlapped regions of the ER and mitochondria were mainly co-localized with ERMES, an authentic ER-mitochondria tethering structure, suggesting that split-GFP assembly depends on the preexisting inter-organelle contact sites. We also confirmed that the split-GFP system can be applied to detection of the ER-mitochondria contact sites in HeLa cells. We thus propose that the split-GFP system is a potential tool to observe and analyze inter-organelle contact sites in living yeast and mammalian cells.

Synthesis, characterization and vibrational spectroscopic study of Co, Mg co-doped LiMnPO4

NASA Astrophysics Data System (ADS)

Sronsri, Chuchai; Noisong, Pittayagorn; Danvirutai, Chanaiporn

2016-01-01

The isostructural olivine-like LiM(II)PO4 compounds [M(II) = Mn, Mn0.9Co0.1, Mn0.8Co0.1Mg0.1] were successfully generated through the solid state reaction from the synthesized NH4M(II)PO4• H2O precursors. The TG/DTG/DTA, AAS/AES, FTIR and XRD methods were employed to confirm both NH4M(II)PO4• H2O and LiM(II)PO4 compounds. Their morphologies were studied by SEM method. The shift of two theta angle of XRD to higher values was observed in metal doping compounds, which indicate the formation of the single phase of isodivalent doping of Co2 + and Mg2 + ions according to the change in the lattice parameters and cell volumes. Their infrared spectra are reported and discussed with respect to the normal vibrations of NH4+, PO43 -, P2O74 - and H2O molecules using factor group analysis. The correlation field splitting analysis of PO43 - in NH4M(II)PO4• H2O (orthorhombic system, Pmn21, C2v7 and Z = 2, [(3 × 5) - 6] × 2 = 18 internal modes) symbolized as Td - Cs - C2v7 suggested the number of vibrational modes to be: ΓVib = A1(6) + A2(3) + B1(6) + B2(3) and A1(6) + A2(3) + B1(3) + B2(6) for zx and yz plane respectively. While, LiM(II)PO4 crystallizes in the orthorhombic system the space group Pnma (D2h16), Z = 4 and the site symmetry of PO43 - is Cs. The correlation field splitting of type Td - Cs - D2h16 were reported in relation to [(3 × 5) - 6] × 4 = 36 internal modes for PO43 - unit in the structure.

Two-Photon Rabi Splitting in a Coupled System of a Nanocavity and Exciton Complexes.

PubMed

Qian, Chenjiang; Wu, Shiyao; Song, Feilong; Peng, Kai; Xie, Xin; Yang, Jingnan; Xiao, Shan; Steer, Matthew J; Thayne, Iain G; Tang, Chengchun; Zuo, Zhanchun; Jin, Kuijuan; Gu, Changzhi; Xu, Xiulai

2018-05-25

Two-photon Rabi splitting in a cavity-dot system provides a basis for multiqubit coherent control in a quantum photonic network. Here we report on two-photon Rabi splitting in a strongly coupled cavity-dot system. The quantum dot was grown intentionally large in size for a large oscillation strength and small biexciton binding energy. Both exciton and biexciton transitions couple to a high-quality-factor photonic crystal cavity with large coupling strengths over 130  μeV. Furthermore, the small binding energy enables the cavity to simultaneously couple with two exciton states. Thereby, two-photon Rabi splitting between the biexciton and cavity is achieved, which can be well reproduced by theoretical calculations with quantum master equations.

Two-Photon Rabi Splitting in a Coupled System of a Nanocavity and Exciton Complexes

NASA Astrophysics Data System (ADS)

Qian, Chenjiang; Wu, Shiyao; Song, Feilong; Peng, Kai; Xie, Xin; Yang, Jingnan; Xiao, Shan; Steer, Matthew J.; Thayne, Iain G.; Tang, Chengchun; Zuo, Zhanchun; Jin, Kuijuan; Gu, Changzhi; Xu, Xiulai

2018-05-01

Two-photon Rabi splitting in a cavity-dot system provides a basis for multiqubit coherent control in a quantum photonic network. Here we report on two-photon Rabi splitting in a strongly coupled cavity-dot system. The quantum dot was grown intentionally large in size for a large oscillation strength and small biexciton binding energy. Both exciton and biexciton transitions couple to a high-quality-factor photonic crystal cavity with large coupling strengths over 130 μ eV . Furthermore, the small binding energy enables the cavity to simultaneously couple with two exciton states. Thereby, two-photon Rabi splitting between the biexciton and cavity is achieved, which can be well reproduced by theoretical calculations with quantum master equations.

Spectroscopic and Computational Studies of Spin States of Iron(IV) Nitrido and Imido Complexes

DOE PAGES

Bucinsky, Lukas; Breza, Martin; Lee, Wei-Tsung; ...

2017-04-05

High-oxidation state metal complexes with multiply bonded ligands are of great interest for both their reactivity as well as their fundamental bonding properties. This paper reports a combined spectroscopic and theoretical investigation into the effect of the apical multiply bonded ligand on the spin state preferences of three-fold symmetric iron(IV) complexes with tris(carbene) donor ligands. Specifically, singlet (S = 0) nitrido [{PhB(Im R) 3}FeN], R = tBu (1), Mes (mesityl, 2) and the related triplet (S = 1) imido complexes, [{PhB(Im R) 3}Fe(NR')] +, R = Mes, R' = Ad (1- adamantyl, 3), tBu (4), have been investigated by electronicmore » absorption and Mössbauer effect spectroscopies. For comparison, two other Fe(IV) nitrido complexes, [(TIMEN Ar)FeN] +, (TIMEN Ar = tris[2-(3-aryl-imidazol-2-ylidene)ethyl]amine; Ar = Xyl (xylyl), Mes), have been investigated by 57Fe Mössbauer spectroscopy, including applied-field measurements. The paramagnetic imido complexes 3 and 4 were also studied by magnetic susceptibility measurements (for 3) and paramagnetic resonance spectroscopy: high-frequency and -field electron paramagnetic resonance (HFEPR) (for 3 and 4) and frequency-domain Fouriertransform (FD-FT) THz EPR (for 3), which reveal their zero-field splitting (zfs) parameters. Experimentally correlated theoretical studies comprising ligand-field theory (LFT) and quantum chemical theory (QCT), the latter including both density functional theory (DFT) and ab initio methods reveal the key role played by the Fe3 d z2 (a1) orbital in these systems: the nature of its interaction with the nitrido or imido ligand dictates the spin state preference of the complex. Lastly, the ability to tune the spin state through the energy and nature of a single orbital has general relevance to the factors controlling spin states in complexes with applicability as single molecule devices.« less

Reducing Ambiguities in Spectroscopic Factors with Combined Measurements and the 86Kr(d,p) Reaction at 35MeV/u

NASA Astrophysics Data System (ADS)

Walter, D.; Cizewski, J. A.; Baugher, T.; Ratkiewicz, A.; Manning, B.; Lonsdale, S. J.; Burcher, S.; Pain, S. D.; Chipps, K. A.; Nunes, F. M.; Ahn, S.; Baumann, T.; Bazin, D.; Pereira, J.; Williams, S.; Thompson, P.; Cerizza, G.; Thornsberry, C.; Jones, K. L.; Bardayan, D. W.; O'Malley, P. D.; Kozub, R. L.; Ota, S.

2015-10-01

Spectroscopic information for low-lying states above shell closures depends on the shape of the bound-state potential, which greatly affects the extracted spectroscopic factors. To mitigate this uncertainty, Mukhamedzhanov and Nunes have proposed a combined method; the external portion is fixed with a peripheral reaction, and is combined with a higher energy measurement with a larger contribution from the interior. This will constrain the single-particle ANC, and should enable spectroscopic factors to be deduced with uncertainties dominated by cross-section measurements rather than the bound-state potential. Published measurements of 86Kr(d,p) at 5.5 MeV/u were used for the external contribution of this reaction. An ANC analysis shows that the reaction is peripheral at this energy and the ANC has been extracted. At less-peripheral energies, 86Kr(d,p) at 35 MeV/u has been measured in inverse kinematics at the NSCL using the ORRUBA and SIDAR arrays of silicon strip detectors. Results of the ANC analysis and preliminary results from 86Kr(d,p) at 35 MeV/u will be presented. This work is supported in part by the NSF and the U.S. DOE.

Upwind differencing and LU factorization for chemical non-equilibrium Navier-Stokes equations

NASA Technical Reports Server (NTRS)

Shuen, Jian-Shun

1992-01-01

By means of either the Roe or the Van Leer flux-splittings for inviscid terms, in conjunction with central differencing for viscous terms in the explicit operator and the Steger-Warming splitting and lower-upper approximate factorization for the implicit operator, the present, robust upwind method for solving the chemical nonequilibrium Navier-Stokes equations yields formulas for finite-volume discretization in general coordinates. Numerical tests in the illustrative cases of a hypersonic blunt body, a ramped duct, divergent nozzle flows, and shock wave/boundary layer interactions, establish the method's efficiency.

An Operator-Integration-Factor Splitting (OIFS) method for Incompressible Flows in Moving Domains

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

Patel, Saumil S.; Fischer, Paul F.; Min, Misun

In this paper, we present a characteristic-based numerical procedure for simulating incompressible flows in domains with moving boundaries. Our approach utilizes an operator-integration-factor splitting technique to help produce an effcient and stable numerical scheme. Using the spectral element method and an arbitrary Lagrangian-Eulerian formulation, we investigate flows where the convective acceleration effects are non-negligible. Several examples, ranging from laminar to turbulent flows, are considered. Comparisons with a standard, semi-implicit time-stepping procedure illustrate the improved performance of the scheme.

Anatomic Characteristics Associated with Head Splitting in Cabbage (Brassica oleracea var. capitata L.)

PubMed Central

Li, Xiaonan; Choi, Su Ryun; Wang, Yunbo; Sung, Chang-keun; Im, Subin; Ramchiary, Nirala; Zhou, Guangsheng; Lim, Yong Pyo

2015-01-01

Cabbage belonging to Brassicaceae family is one of the most important vegetables cultivated worldwide. The economically important part of cabbage crop is head, formed by leaves which may be of splitting and non-splitting types. Cabbage varieties showing head splitting causes huge loss to the farmers and therefore finding the molecular and structural basis of splitting types would be helpful to breeders. To determine which anatomical characteristics were related to head-splitting in cabbage, we analyzed two contrasting cabbage lines and their offspring using a field emission scanning electron microscope. The inbred line “747” is an early head-splitting type, while the inbred line “748” is a head-splitting-resistant type. The petiole cells of “747” seems to be larger than those of “748” at maturity; however, there was no significant difference in petiole cell size at both pre-heading and maturity stages. The lower epidermis cells of “747” were larger than those of “748” at the pre-heading and maturity stages. “747” had thinner epidermis cell wall than “748” at maturity stage, however, there was no difference of the epidermis cell wall thickness in the two lines at the pre-heading stage. The head-splitting plants in the F1 and F2 population inherited the larger cell size and thinner cell walls of epidermis cells in the petiole. In the petiole cell walls of “747” and the F1 and F2 plants that formed splitting heads, the cellulose microfibrils were loose and had separated from each other. These findings verified that anomalous cellulose microfibrils, larger cell size and thinner-walled epidermis cells are important genetic factors that make cabbage heads prone to splitting. PMID:26536356

Evaluation of Mandibular Anatomy Associated With Bad Splits in Sagittal Split Ramus Osteotomy of Mandible.

PubMed

Wang, Tongyue; Han, Jeong Joon; Oh, Hee-Kyun; Park, Hong-Ju; Jung, Seunggon; Park, Yeong-Joon; Kook, Min-Suk

2016-07-01

This study aimed to identify risk factors associated with bad splits during sagittal split ramus osteotomy by using three-dimensional computed tomography. This study included 8 bad splits and 47 normal patients without bad splits. Mandibular anatomic parameters related to osteotomy line were measured. These included anteroposterior width of the ramus at level of lingula, distance between external oblique ridge and lingula, distance between sigmoid notch and inferior border of mandible, mandibular angle, distance between inferior outer surface of mandibular canal and inferior border of mandible under distal root of second molar (MCEM), buccolingual thickness of the ramus at level of lingula, and buccolingual thickness of the area just distal to first molar (BTM1) and second molar (BTM2). The incidence of bad splits in 625 sagittal split osteotomies was 1.28%. Compared with normal group, bad split group exhibited significantly thinner BTM2 and shorter sigmoid notch and inferior border of mandible (P <0.05). However, for BTM1 and buccolingual thickness of the ramus at level of lingula, there was no statistical difference between the 2 groups. Mandibular angle, anteroposterior width of the ramus at level of lingula, external oblique ridge and lingula, and MCEM were not significantly different between the groups. This study suggests that patients with shorter ramus and low thickness of the buccolingual alveolar region distal to the second molar had a higher risk of bad splits. These anatomic data may help surgeons to choose the safest surgical techniques and best osteotomy sites.

Spectroscopic factors in the N =20 island of inversion: The Nilsson strong-coupling limit

NASA Astrophysics Data System (ADS)

Macchiavelli, A. O.; Crawford, H. L.; Campbell, C. M.; Clark, R. M.; Cromaz, M.; Fallon, P.; Jones, M. D.; Lee, I. Y.; Richard, A. L.; Salathe, M.

2017-11-01

Spectroscopic factors, extracted from one-neutron knockout and Coulomb dissociation reactions, for transitions from the ground state of 33Mg to the ground-state rotational band in 32Mg, and from 32Mg to low-lying negative-parity states in 31Mg, are interpreted within the rotational model. Associating the ground state of 33Mg and the negative-parity states in 31Mg with the 3/2 [321 ] Nilsson level, the strong coupling limit gives simple expressions that relate the amplitudes (Cj ℓ) of this wave function with the measured cross sections and derived spectroscopic factors (Sj ℓ). To obtain a consistent agreement with the data within this framework, we find that one requires a modified 3/2 [321 ] wave function with an increased contribution from the spherical 2 p3 /2 orbit as compared to a standard Nilsson calculation. This is consistent with the findings of large-scale shell model calculations and can be traced to weak binding effects that lower the energy of low-ℓ orbitals.

Platelet growth factors from allogeneic platelet-rich plasma for clinical improvement in split-thickness skin graft.

PubMed

Sonker, Atul; Dubey, Anju; Bhatnagar, Ankur; Chaudhary, Rajendra

2015-01-01

Platelets are a source of numerous growth factors which facilitate repair and healing. Thus platelet rich plasma has been increasingly used as a treatment modality in the field of reconstructive surgeries for wound healing. This preliminary study was carried out to explore whether platelet growth factors from platelet rich plasma could be used for enhancement of split thickness skin graft survival. Twenty patients (13 males and 7 females) requiring split thickness skin graft for various clinical reasons were enrolled in the study. Platelet rich plasma was collected by apheresis and frozen at -80° C. It was thawed at room temperature immediately before its intended application. PRP was applied only on one half of the wound, while another half served as control. Patient was followed for 6 weeks. The effect was assessed at first dressing in terms of graft uptake and subsequently as time taken for complete healing. There was 100% uptake of the graft in the area where platelet rich plasma was applied. In the control area, there was complete graft loss in 4 cases, partial loss in 7 cases and complete uptake in 9 cases. This study demonstrated promising results on application of PRP to split thickness skin grafts. Further randomized studies with greater sample size may be undertaken to establish platelet rich plasma as a validated treatment modality.

Evaluation of Heterogeneous Metabolic Profile in an Orthotopic Human Glioblastoma Xenograft Model Using Compressed Sensing Hyperpolarized 3D 13C Magnetic Resonance Spectroscopic Imaging

PubMed Central

Park, Ilwoo; Hu, Simon; Bok, Robert; Ozawa, Tomoko; Ito, Motokazu; Mukherjee, Joydeep; Phillips, Joanna J.; James, C. David; Pieper, Russell O.; Ronen, Sabrina M.; Vigneron, Daniel B.; Nelson, Sarah J.

2013-01-01

High resolution compressed sensing hyperpolarized 13C magnetic resonance spectroscopic imaging was applied in orthotopic human glioblastoma xenografts for quantitative assessment of spatial variations in 13C metabolic profiles and comparison with histopathology. A new compressed sensing sampling design with a factor of 3.72 acceleration was implemented to enable a factor of 4 increase in spatial resolution. Compressed sensing 3D 13C magnetic resonance spectroscopic imaging data were acquired from a phantom and 10 tumor-bearing rats following injection of hyperpolarized [1-13C]-pyruvate using a 3T scanner. The 13C metabolic profiles were compared with hematoxylin and eosin staining and carbonic anhydrase 9 staining. The high-resolution compressed sensing 13C magnetic resonance spectroscopic imaging data enabled the differentiation of distinct 13C metabolite patterns within abnormal tissues with high specificity in similar scan times compared to the fully sampled method. The results from pathology confirmed the different characteristics of 13C metabolic profiles between viable, non-necrotic, nonhypoxic tumor, and necrotic, hypoxic tissue. PMID:22851374

Evaluation of heterogeneous metabolic profile in an orthotopic human glioblastoma xenograft model using compressed sensing hyperpolarized 3D 13C magnetic resonance spectroscopic imaging.

PubMed

Park, Ilwoo; Hu, Simon; Bok, Robert; Ozawa, Tomoko; Ito, Motokazu; Mukherjee, Joydeep; Phillips, Joanna J; James, C David; Pieper, Russell O; Ronen, Sabrina M; Vigneron, Daniel B; Nelson, Sarah J

2013-07-01

High resolution compressed sensing hyperpolarized (13)C magnetic resonance spectroscopic imaging was applied in orthotopic human glioblastoma xenografts for quantitative assessment of spatial variations in (13)C metabolic profiles and comparison with histopathology. A new compressed sensing sampling design with a factor of 3.72 acceleration was implemented to enable a factor of 4 increase in spatial resolution. Compressed sensing 3D (13)C magnetic resonance spectroscopic imaging data were acquired from a phantom and 10 tumor-bearing rats following injection of hyperpolarized [1-(13)C]-pyruvate using a 3T scanner. The (13)C metabolic profiles were compared with hematoxylin and eosin staining and carbonic anhydrase 9 staining. The high-resolution compressed sensing (13)C magnetic resonance spectroscopic imaging data enabled the differentiation of distinct (13)C metabolite patterns within abnormal tissues with high specificity in similar scan times compared to the fully sampled method. The results from pathology confirmed the different characteristics of (13)C metabolic profiles between viable, non-necrotic, nonhypoxic tumor, and necrotic, hypoxic tissue. Copyright © 2012 Wiley Periodicals, Inc.

Spectroscopic Measurements of Planar Foil Plasmas Driven by a MA LTD

NASA Astrophysics Data System (ADS)

Patel, Sonal; Yager-Elorriaga, David; Steiner, Adam; Jordan, Nick; Gilgenbach, Ronald; Lau, Y. Y.

2014-10-01

Planar foil ablation experiments are being conducted on the Linear Transformer Driver (LTD) at the University of Michigan. The experiment consists of a 400 nm-thick, Al planar foil and a current return post. An optical fiber is placed perpendicular to the magnetic field and linear polarizers are used to isolate the pi and sigma lines. The LTD is charged to +/-70 kV with approximately 400-500 kA passing through the foil. Laser shadowgraphy has previously imaged the plasma and measured anisotropy in the Magneto Rayleigh-Taylor (MRT) instability. Localized magnetic field measurements using Zeeman splitting during the current rise is expected to yield some insight into this anisotropy. Initial experiments use Na D lines of Al foils seeded with sodium to measure Zeeman splitting. Several ion lines are also currently being studied, such as Al III and C IV, to probe the higher temperature core plasma. In planned experiments, several lens-coupled optical fibers will be placed across the foil, and local magnetic field measurements will be taken to measure current division within the plasma. This work was supported by US DoE. S.G. Patel and A.M. Steiner supported by NPSC funded by Sandia. D.A. Yager supported by NSF fellowship Grant DGE 1256260.

Excitons and Davydov splitting in sexithiophene from first-principles many-body Green's function theory

NASA Astrophysics Data System (ADS)

Leng, Xia; Yin, Huabing; Liang, Dongmei; Ma, Yuchen

2015-09-01

Organic semiconductors have promising and broad applications in optoelectronics. Understanding their electronic excited states is important to help us control their spectroscopic properties and performance of devices. There have been a large amount of experimental investigations on spectroscopies of organic semiconductors, but theoretical calculation from first principles on this respect is still limited. Here, we use density functional theory (DFT) and many-body Green's function theory, which includes the GW method and Bethe-Salpeter equation, to study the electronic excited-state properties and spectroscopies of one prototypical organic semiconductor, sexithiophene. The exciton energies of sexithiophene in both the gas and bulk crystalline phases are very sensitive to the exchange-correlation functionals used in DFT for ground-state structure relaxation. We investigated the influence of dynamical screening in the electron-hole interaction on exciton energies, which is found to be very pronounced for triplet excitons and has to be taken into account in first principles calculations. In the sexithiophene single crystal, the energy of the lowest triplet exciton is close to half the energy of the lowest singlet one. While lower-energy singlet and triplet excitons are intramolecular Frenkel excitons, higher-energy excitons are of intermolecular charge-transfer type. The calculated optical absorption spectra and Davydov splitting are in good agreement with experiments.

Raman spectroscopy fingerprint of stainless steel-MWCNTs nanocomposite processed by ball-milling

NASA Astrophysics Data System (ADS)

dos Reis, Marcos Allan Leite; Barbosa Neto, Newton Martins; de Sousa, Mário Edson Santos; Araujo, Paulo T.; Simões, Sónia; Vieira, Manuel F.; Viana, Filomena; Loayza, Cristhian R. L.; Borges, Diego J. A.; Cardoso, Danyella C. S.; Assunção, Paulo D. C.; Braga, Eduardo M.

2018-01-01

Stainless steel 304L alloy powder and multiwalled carbon nanotubes were mixed by ball-milling under ambient atmosphere and in a broad range of milling times, which spans from 0 to 120 min. Here, we provided spectroscopic signatures for several distinct composites produced, to show that the Raman spectra present interesting splittings of the D-band feature into two main sub-bands, D-left and D-right, together with several other secondary features. The G-band feature also presents multiple splittings that are related to the outer and inner diameter distributions intrinsic to the multiwalled carbon nanotube samples. A discussion about the second order 2D-band (also known as G'-band) is also provided. The results reveal that the multiple spectral features observed in the D-band are related to an increased chemical functionalization. A lower content of amorphous carbon at 60 and 90 min of milling time is verified and the G-band frequencies associated to the tubes in the outer diameters distribution is upshifted, which suggests that doping induced by strain is taking place in the milled samples. The results indicate that Raman spectroscopy can be a powerful tool for a fast and non-destructive characterization of carbon nanocomposites used in powder metallurgy manufacturing processes.

Silicon technology compatible photonic molecules for compact optical signal processing

NASA Astrophysics Data System (ADS)

Barea, Luis A. M.; Vallini, Felipe; Jarschel, Paulo F.; Frateschi, Newton C.

2013-11-01

Photonic molecules (PMs) based on multiple inner coupled microring resonators allow to surpass the fundamental constraint between the total quality factor (QT), free spectral range (FSR), and resonator size. In this work, we use a PM that presents doublets and triplets resonance splitting, all with high QT. We demonstrate the use of the doublet splitting for 34.2 GHz signal extraction by filtering the sidebands of a modulated optical signal. We also demonstrate that very compact optical modulators operating 2.75 times beyond its resonator linewidth limit may be obtained using the PM triplet splitting, with separation of ˜55 GHz.

About one counterexample of applying method of splitting in modeling of plating processes

NASA Astrophysics Data System (ADS)

Solovjev, D. S.; Solovjeva, I. A.; Litovka, Yu V.; Korobova, I. L.

2018-05-01

The paper presents the main factors that affect the uniformity of the thickness distribution of plating on the surface of the product. The experimental search for the optimal values of these factors is expensive and time-consuming. The problem of adequate simulation of coating processes is very relevant. The finite-difference approximation using seven-point and five-point templates in combination with the splitting method is considered as solution methods for the equations of the model. To study the correctness of the solution of equations of the mathematical model by these methods, the experiments were conducted on plating with a flat anode and cathode, which relative position was not changed in the bath. The studies have shown that the solution using the splitting method was up to 1.5 times faster, but it did not give adequate results due to the geometric features of the task under the given boundary conditions.

Randomized, Double-Blind, Split-Face Study Evaluating Fractional Ablative Erbium:YAG Laser-Mediated Trans-Epidermal Delivery of Cosmetic Actives and a Novel Acoustic Pressure Wave Ultrasound Technology for the Treatment of Skin Aging, Melasma, and Acne Scars.

PubMed

Alexiades, Macrene

2015-11-01

Fractional laser resurfacing enhances trans-epidermal delivery (TED), however laser penetration depths >250- μm fail to substantively increase drug delivery. Evaluate the safety and efficacy of a novel acoustic pressure wave ultrasound device following fractional ablative Er:YAG 2940-nm laser (FELR) and topical agents for rhytids, melasma, and acne scars. Randomized, blinded, parallel group split-face side-by-side, controlled study evaluating FELR and topical anti-aging and anti-pigment agents to entire face succeeded by ultrasound to randomized side. Fifteen subjects were enrolled to three treatment arms:rhytids, melasma, and acne scars. Two monthly treatments were administered with 1, 3, and 6 month follow-up. Efficacy was assessed by Comprehensive Grading Scale of Rhytids, Laxity, and Photoaging by Investigator and two blinded physician evaluators. Subject assessments, digital photographs, and reflectance spectroscopic analyses were obtained. Rhytid severity was reduced from a mean of 3.25 to 2.60 on the 4-point grading scale. Spectrophotometric analysis demonstrated increases in lightness (L*) and reductions in redness (a*) and pigment (b*), with greater improvements on the ultrasound side as compared to FELR and topicals alone. Moderate erythema post-treatment resolved in 7 days and no serious adverse events were observed. In this randomized, paired split-face clinical study, FELR-facilitated TED of topical anti-aging actives with ultrasound treatment is safe and effective with improvement in rhytids, melasma, and acne scars. Statistically significant greater improvement in pigment levels was observed on the ultrasound side as compared to FELR-TED and topical agents alone.

Raman spectroscopic measurements of CO2 density: Experimental calibration with high-pressure optical cell (HPOC) and fused silica capillary capsule (FSCC) with application to fluid inclusion observations

USGS Publications Warehouse

Wang, X.; Chou, I-Ming; Hu, W.; Burruss, Robert; Sun, Q.; Song, Y.

2011-01-01

Raman spectroscopy is a powerful method for the determination of CO2 densities in fluid inclusions, especially for those with small size and/or low fluid density. The relationship between CO2 Fermi diad split (Δ, cm−1) and CO2 density (ρ, g/cm3) has been documented by several previous studies. However, significant discrepancies exist among these studies mainly because of inconsistent calibration procedures and lack of measurements for CO2fluids having densities between 0.21 and 0.75 g/cm3, where liquid and vapor phases coexist near room temperature.In this study, a high-pressure optical cell and fused silica capillary capsules were used to prepare pure CO2 samples with densities between 0.0472 and 1.0060 g/cm3. The measured CO2 Fermi diad splits were calibrated with two well established Raman bands of benzonitrile at 1192.6 and 1598.9 cm−1. The relationship between the CO2 Fermi diad split and density can be represented by: ρ = 47513.64243 − 1374.824414 × Δ + 13.25586152 × Δ2 − 0.04258891551 × Δ3(r2 = 0.99835, σ = 0.0253 g/cm3), and this relationship was tested by synthetic fluid inclusions and natural CO2-rich fluid inclusions. The effects of temperature and the presence of H2O and CH4 on this relationship were also examined.

Raman spectroscopic studies of hydrogen clathrate hydrates.

PubMed

Strobel, Timothy A; Sloan, E Dendy; Koh, Carolyn A

2009-01-07

Raman spectroscopic measurements of simple hydrogen and tetrahydrofuran+hydrogen sII clathrate hydrates have been performed. Both the roton and vibron bands illuminate interesting quantum dynamics of enclathrated H(2) molecules. The complex vibron region of the Raman spectrum has been interpreted by observing the change in population of these bands with temperature, measuring the absolute H(2) content as a function of pressure, and with D(2) isotopic substitution. Quadruple occupancy of the large sII clathrate cavity shows the highest H(2) vibrational frequency, followed by triple and double occupancies. Singly occupied small cavities display the lowest vibrational frequency. The vibrational frequencies of H(2) within all cavity environments are redshifted from the free gas phase value. At 76 K, the progression from ortho- to para-H(2) occurs over a relatively slow time period (days). The rotational degeneracy of H(2) molecules within the clathrate cavities is lifted, observed directly in splitting of the para-H(2) roton band. Raman spectra from H(2) and D(2) hydrates suggest that the occupancy patterns between the two hydrates are analogous, increasing confidence that D(2) is a suitable substitute for H(2). The measurements suggest that Raman is an effective and convenient method to determine the relative occupancy of hydrogen molecules in different clathrate cavities.

Spectroscopic study of native defects in the semiconductor to metal phase transition in V2O5 nanostructure

NASA Astrophysics Data System (ADS)

Basu, Raktima; Dhara, Sandip

2018-04-01

Vanadium is a transition metal with multiple oxidation states and V2O5 is the most stable form among them. Besides catalysis, chemical sensing, and photo-chromatic applications, V2O5 is also reported to exhibit a semiconductor to metal transition (SMT) at a temperature range of 530-560 K. Even though there are debates in using the term "SMT" for V2O5, the metallic behavior above the transition temperature and its origin are of great interest in the scientific community. In this study, V2O5 nanostructures were deposited on a SiO2/Si substrate by the vapour transport method using Au as a catalyst. Temperature dependent electrical measurement confirms the SMT in V2O5 without any structural change. Temperature dependent photoluminescence analysis proves the appearance of oxygen vacancy related peaks due to reduction of V2O5 above the transition temperature, as also inferred from temperature dependent Raman spectroscopic studies. The newly evolved defect levels in the V2O5 electronic structure with increasing temperature are also understood from the downward shift of the bottom most split-off conduction bands due to breakdown of pdπ bonds leading to metallic behavior in V2O5 above the transition temperature.

Low temperature Mössbauer spectroscopic studies on Sm3+ doped Zn-Mn ferrites

NASA Astrophysics Data System (ADS)

Jagadeesha Angadi, V.; Kubrin, S. P.; Sarychev, D. A.; Matteppanavar, Shidaling; Rudraswamy, B.; Liu, Hsiang-Lin; Praveena, K.

2017-11-01

For the first time, we report on the low temperature Mössbauer spectroscopic study of Zn2+0.5Mn2+0.5Sm3+xFe3+2-xO4 (where x = 0.01-0.05) prepared by the modified solution combustion method using a mixture of urea and glucose as a fuel. The Mössbauer spectroscopy at room and low temperatures was applied to understand the magnetic properties of the samples. The room temperature Mössbauer spectroscopy results suggest that the occupation of the octahedral sites by Sm3+ ions leads to the distortion enhancement of 57Fe nuclei environments, which leads to an increase in quadrupole splitting Δ values of D2 and D3 doublets. The low temperature Mössbauer spectroscopy results indicate that the presence of Sm3+ ions in the octahedron sites causes the decrease in the number of Fe-O-Fe chains. The transformation of Mössbauer spectra doublets into Zeeman sextets is accompanied by a significant decrease in the magnitude IM of Mössbauer spectra intensity within the 0-1.2 mm/s velocity range normalized to its value at 300 K. This drop in the temperature dependence of IM allows one to obtain the magnetic phase transition temperature TM from the Mössbauer experiment.

Experimental study of the electric field in a hollow cathode discharge in hydrogen: influence of sputtering

NASA Astrophysics Data System (ADS)

Gonzalez-Fernandez, V.; Grützmacher, K.; Pérez, C.; de la Rosa, M. I.

2017-11-01

Doppler-free two photon optogalvanic spectroscopy was employed in extensive studies to measure the electric field strength in the cathode fall region of a hollow cathode discharge (HCD), operated in pure hydrogen, via the Stark splitting of the 2S level of atomic hydrogen. The high quality measurements, based on an improved cathode design and laser spectroscopic set-up, reveal clear differences in the recorded spectra obtained for different cathode material (stainless steel and tungsten) at otherwise identical discharge conditions. It is well known, that the sputtering rate of tungsten is about four orders of magnitude less compared to stainless steel; hence the hydrogen plasma in front of the stainless steel cathode is much more contaminated by iron compared to tungsten. This study is focussed on analyzing the distortion of the spectra, i.e. the corresponding local electric field strength, depending on cathode material and laser power. We refer the more pronounced distortion of the spectra in case of a stainless steel cathode to the related large contamination of the hydrogen plasma due to atomic iron which is also expanding into the central discharge. Spectra recorded for different laser power, i.e. different spectral irradiance, allow verifying spectroscopic conditions, where the distortion of the spectra becomes quite negligible even for stainless steel cathode.

Observation of spontaneous spin-splitting in the band structure of an n-type zinc-blende ferromagnetic semiconductor

PubMed Central

Anh, Le Duc; Hai, Pham Nam; Tanaka, Masaaki

2016-01-01

Large spin-splitting in the conduction band and valence band of ferromagnetic semiconductors, predicted by the influential mean-field Zener model and assumed in many spintronic device proposals, has never been observed in the mainstream p-type Mn-doped ferromagnetic semiconductors. Here, using tunnelling spectroscopy in Esaki-diode structures, we report the observation of such a large spontaneous spin-splitting energy (31.7–50 meV) in the conduction band bottom of n-type ferromagnetic semiconductor (In,Fe)As, which is surprising considering the very weak s-d exchange interaction reported in several zinc-blende type semiconductors. The mean-field Zener model also fails to explain consistently the ferromagnetism and the spin-splitting energy of (In,Fe)As, because we found that the Curie temperature values calculated using the observed spin-splitting energies are much lower than the experimental ones by a factor of 400. These results urge the need for a more sophisticated theory of ferromagnetic semiconductors. PMID:27991502

Analysis of a Split-Plot Experimental Design Applied to a Low-Speed Wind Tunnel Investigation

NASA Technical Reports Server (NTRS)

Erickson, Gary E.

2013-01-01

A procedure to analyze a split-plot experimental design featuring two input factors, two levels of randomization, and two error structures in a low-speed wind tunnel investigation of a small-scale model of a fighter airplane configuration is described in this report. Standard commercially-available statistical software was used to analyze the test results obtained in a randomization-restricted environment often encountered in wind tunnel testing. The input factors were differential horizontal stabilizer incidence and the angle of attack. The response variables were the aerodynamic coefficients of lift, drag, and pitching moment. Using split-plot terminology, the whole plot, or difficult-to-change, factor was the differential horizontal stabilizer incidence, and the subplot, or easy-to-change, factor was the angle of attack. The whole plot and subplot factors were both tested at three levels. Degrees of freedom for the whole plot error were provided by replication in the form of three blocks, or replicates, which were intended to simulate three consecutive days of wind tunnel facility operation. The analysis was conducted in three stages, which yielded the estimated mean squares, multiple regression function coefficients, and corresponding tests of significance for all individual terms at the whole plot and subplot levels for the three aerodynamic response variables. The estimated regression functions included main effects and two-factor interaction for the lift coefficient, main effects, two-factor interaction, and quadratic effects for the drag coefficient, and only main effects for the pitching moment coefficient.

Evaluation of Euler fluxes by a high-order CFD scheme: shock instability

NASA Astrophysics Data System (ADS)

Tu, Guohua; Zhao, Xiaohui; Mao, Meiliang; Chen, Jianqiang; Deng, Xiaogang; Liu, Huayong

2014-05-01

The construction of Euler fluxes is an important step in shock-capturing/upwind schemes. It is well known that unsuitable fluxes are responsible for many shock anomalies, such as the carbuncle phenomenon. Three kinds of flux vector splittings (FVSs) as well as three kinds of flux difference splittings (FDSs) are evaluated for the shock instability by a fifth-order weighted compact nonlinear scheme. The three FVSs are Steger-Warming splitting, van Leer splitting and kinetic flux vector splitting (KFVS). The three FDSs are Roe's splitting, advection upstream splitting method (AUSM) type splitting and Harten-Lax-van Leer (HLL) type splitting. Numerical results indicate that FVSs and high dissipative FDSs undergo a relative lower risk on the shock instability than that of low dissipative FDSs. However, none of the fluxes evaluated in the present study can entirely avoid the shock instability. Generally, the shock instability may be caused by any of the following factors: low dissipation, high Mach number, unsuitable grid distribution, large grid aspect ratio, and the relative shock-internal flow state (or position) between upstream and downstream shock waves. It comes out that the most important factor is the relative shock-internal state. If the shock-internal state is closer to the downstream state, the computation is at higher susceptibility to the shock instability. Wall-normal grid distribution has a greater influence on the shock instability than wall-azimuthal grid distribution because wall-normal grids directly impact on the shock-internal position. High shock intensity poses a high risk on the shock instability, but its influence is not as much as the shock-internal state. Large grid aspect ratio is also a source of the shock instability. Some results of a second-order scheme and a first-order scheme are also given. The comparison between the high-order scheme and the two low-order schemes indicates that high-order schemes are at a higher risk of the shock instability. Adding an entropy fix is very helpful in suppressing the shock instability for the two low-order schemes. When the high-order scheme is used, the entropy fix still works well for Roe's flux, but its effect on the Steger-Warming flux is trivial and not much clear.

Kondo peak splitting and Kondo dip in single molecular magnet junctions

NASA Astrophysics Data System (ADS)

Niu, Pengbin; Shi, Yunlong; Sun, Zhu; Nie, Yi-Hang; Luo, Hong-Gang

2016-01-01

Many factors containing bias, spin-orbit coupling, magnetic fields applied, and so on can strongly influence the Kondo effect, and one of the consequences is Kondo peak splitting (KPS). It is natural that KPS should also appear when another spin degree of freedom is involved. In this work we study the KPS effects of single molecular magnets (SMM) coupled with two metallic leads in low-temperature regime. It is found that the Kondo transport properties are strongly influenced by the exchange coupling and anisotropy of the magnetic core. By employing Green's function method in Hubbard operator representation, we give an analytical expression for local retarded Green's function of SMM and discussed its low-temperature transport properties. We find that the anisotropy term behaves as a magnetic field and the splitting behavior of exchange coupling is quite similar to the spin-orbit coupling. These splitting behaviors are explained by introducing inter-level or intra-level transitions, which account for the seven-peak splitting structure. Moreover, we find a Kondo dip at Fermi level under proper parameters. These Kondo peak splitting behaviors in SMM deepen our understanding to Kondo physics and should be observed in the future experiments.

Factor levels for density comparisons in the split-block spacing design

Treesearch

Kurt H. Riitters; Brian J. Stanton; Robbert H. Walkup

1989-01-01

The split-block spacing design is a compact test of the effects of within-row and between-row spacings. But the sometimes awkward analysis of density (i.e., trees/ha) effects may deter use of the design. The analysis is simpler if the row spacings are chosen to obtain a balanced set of equally spaced density and rectangularity treatments. A spacing study in poplar (...

MUSE field splitter unit: fan-shaped separator for 24 integral field units

NASA Astrophysics Data System (ADS)

Laurent, Florence; Renault, Edgard; Anwand, Heiko; Boudon, Didier; Caillier, Patrick; Kosmalski, Johan; Loupias, Magali; Nicklas, Harald; Seifert, Walter; Salaun, Yves; Xu, Wenli

2014-07-01

MUSE (Multi Unit Spectroscopic Explorer) is a second generation Very Large Telescope (VLT) integral field spectrograph developed for the European Southern Observatory (ESO). It combines a 1' x 1' field of view sampled at 0.2 arcsec for its Wide Field Mode (WFM) and a 7.5"x7.5" field of view for its Narrow Field Mode (NFM). Both modes will operate with the improved spatial resolution provided by GALACSI (Ground Atmospheric Layer Adaptive Optics for Spectroscopic Imaging), that will use the VLT deformable secondary mirror and 4 Laser Guide Stars (LGS) foreseen in 2015. MUSE operates in the visible wavelength range (0.465-0.93 μm). A consortium of seven institutes is currently commissioning MUSE in the Very Large Telescope for the Preliminary Acceptance in Chile, scheduled for September, 2014. MUSE is composed of several subsystems which are under the responsibility of each institute. The Fore Optics derotates and anamorphoses the image at the focal plane. A Splitting and Relay Optics feed the 24 identical Integral Field Units (IFU), that are mounted within a large monolithic instrument mechanical structure. Each IFU incorporates an image slicer, a fully refractive spectrograph with VPH-grating and a detector system connected to a global vacuum and cryogenic system. During 2012 and 2013, all MUSE subsystems were integrated, aligned and tested to the P.I. institute at Lyon. After successful PAE in September 2013, MUSE instrument was shipped to the Very Large Telescope in Chile where it was aligned and tested in ESO integration hall at Paranal. After, MUSE was directly transferred in monolithic way onto VLT telescope where the first light was achieved. This paper describes the MUSE main optical component: the Field Splitter Unit. It splits the VLT image into 24 subfields and provides the first separation of the beam for the 24 Integral Field Units. This talk depicts its manufacturing at Winlight Optics and its alignment into MUSE instrument. The success of the MUSE alignment is demonstrated by the excellent results obtained onto MUSE positioning, image quality and throughput onto the sky. MUSE commissioning at the VLT is planned for September, 2014.

The effect of split pixel HDR image sensor technology on MTF measurements

NASA Astrophysics Data System (ADS)

Deegan, Brian M.

2014-03-01

Split-pixel HDR sensor technology is particularly advantageous in automotive applications, because the images are captured simultaneously rather than sequentially, thereby reducing motion blur. However, split pixel technology introduces artifacts in MTF measurement. To achieve a HDR image, raw images are captured from both large and small sub-pixels, and combined to make the HDR output. In some cases, a large sub-pixel is used for long exposure captures, and a small sub-pixel for short exposures, to extend the dynamic range. The relative size of the photosensitive area of the pixel (fill factor) plays a very significant role in the output MTF measurement. Given an identical scene, the MTF will be significantly different, depending on whether you use the large or small sub-pixels i.e. a smaller fill factor (e.g. in the short exposure sub-pixel) will result in higher MTF scores, but significantly greater aliasing. Simulations of split-pixel sensors revealed that, when raw images from both sub-pixels are combined, there is a significant difference in rising edge (i.e. black-to-white transition) and falling edge (white-to-black) reproduction. Experimental results showed a difference of ~50% in measured MTF50 between the falling and rising edges of a slanted edge test chart.

Field-induced spin splitting and anomalous photoluminescence circular polarization in C H3N H3Pb I3 films at high magnetic field

NASA Astrophysics Data System (ADS)

Zhang, Chuang; Sun, Dali; Yu, Zhi-Gang; Sheng, Chuan-Xiang; McGill, Stephen; Semenov, Dmitry; Vardeny, Zeev Valy

2018-04-01

The organic-inorganic hybrid perovskites show excellent optical and electrical properties for photovoltaic and a myriad of other optoelectronics applications. Using high-field magneto-optical measurements up to 17.5 T at cryogenic temperatures, we have studied the spin-dependent optical transitions in the prototype C H3N H3Pb I3 , which are manifested in the field-induced circularly polarized photoluminescence emission. The energy splitting between left and right circularly polarized emission bands is measured to be ˜1.5 meV at 17.5 T, from which we obtained an exciton effective g factor of ˜1.32. Also from the photoluminescence diamagnetic shift we estimate the exciton binding energy to be ˜17 meV at low temperature. Surprisingly, the corresponding field-induced circular polarization is "anomalous" in that the photoluminescence emission of the higher split energy band is stronger than that of the lower split band. This "reversed" intensity ratio originates from the combination of long electron spin relaxation time and hole negative g factor in C H3N H3Pb I3 , which are in agreement with a model based on the k.p effective-mass approximation.

Monitoring protein-protein interactions using split synthetic renilla luciferase protein-fragment-assisted complementation.

PubMed

Paulmurugan, R; Gambhir, S S

2003-04-01

In this study we developed an inducible synthetic renilla luciferase protein-fragment-assisted complementation-based bioluminescence assay to quantitatively measure real time protein-protein interactions in mammalian cells. We identified suitable sites to generate fragments of N and C portions of the protein that yield significant recovered activity through complementation. We validate complementation-based activation of split synthetic renilla luciferase protein driven by the interaction of two strongly interacting proteins, MyoD and Id, in five different cell lines utilizing transient transfection studies. The expression level of the system was also modulated by tumor necrosis factor alpha through NFkappaB-promoter/enhancer elements used to drive expression of the N portion of synthetic renilla luciferase reporter gene. This new system should help in studying protein-protein interactions and when used with other split reporters (e.g., split firefly luciferase) should help to monitor different components of an intracellular network.

Monitoring Protein–Protein Interactions Using Split Synthetic Renilla Luciferase Protein-Fragment-Assisted Complementation

PubMed Central

Paulmurugan, R.; Gambhir, S. S.

2014-01-01

In this study we developed an inducible synthetic renilla luciferase protein-fragment-assisted complementation-based bioluminescence assay to quantitatively measure real time protein–protein interactions in mammalian cells. We identified suitable sites to generate fragments of N and C portions of the protein that yield significant recovered activity through complementation. We validate complementation-based activation of split synthetic renilla luciferase protein driven by the interaction of two strongly interacting proteins, MyoD and Id, in five different cell lines utilizing transient transfection studies. The expression level of the system was also modulated by tumor necrosis factor α through NFκB-promoter/enhancer elements used to drive expression of the N portion of synthetic renilla luciferase reporter gene. This new system should help in studying protein–protein interactions and when used with other split reporters (e.g., split firefly luciferase) should help to monitor different components of an intracellular network. PMID:12705589

Analysis of nonreciprocal noise based on mode splitting in a high-Q optical microresonator

NASA Astrophysics Data System (ADS)

Yang, Zhaohua; Xiao, Yarong; Huo, Jiayan; Shao, Hui

2018-01-01

The whispering gallery mode optical microresonator offers a high quality factor, which enables it to act as the core component of a high sensitivity resonator optic gyro; however, nonreciprocal noise limits its precision. Considering the Sagnac effect, i.e. mode splitting in high-quality optical micro-resonators, we derive the explicit expression for the angular velocity versus the splitting amount, and verify the sensing mechanism by simulation using finite element method. Remarkably, the accuracy of the angular velocity measurement in the whispering gallery mode optical microresonator with a quality factor of 108 is 106 °/s. We obtain the optimal coupling position of the novel angular velocity sensing system by detecting the output transmittance spectra of different vertical coupling distances and axial coupling positions. In addition, the reason for the nonreciprocal phenomenon is determined by theoretical analysis of the evanescent distribution of a tapered fiber. These results will provide an effective method and a theoretical basis for suppression of the nonreciprocal noise.

Numerical analysis of the unintegrated double gluon distribution

NASA Astrophysics Data System (ADS)

Elias, Edgar; Golec-Biernat, Krzysztof; Staśto, Anna M.

2018-01-01

We present detailed numerical analysis of the unintegrated double gluon distribution which includes the dependence on the transverse momenta of partons. The unintegrated double gluon distribution was obtained following the Kimber-Martin-Ryskin method as a convolution of the perturbative gluon splitting function with the collinear integrated double gluon distribution and the Sudakov form factors. We analyze the dependence on the transverse momenta, longitudinal momentum fractions and hard scales. We find that the unintegrated gluon distribution factorizes into a product of two single unintegrated gluon distributions in the region of small values of x, provided the splitting contribution is included and the momentum sum rule is satisfied.

Magnon Splitting Induced by Charge Transfer in the Three-Orbital Hubbard Model

NASA Astrophysics Data System (ADS)

Wang, Yao; Huang, Edwin W.; Moritz, Brian; Devereaux, Thomas P.

2018-06-01

Understanding spin excitations and their connection to unconventional superconductivity have remained central issues since the discovery of cuprates. Direct measurement of the dynamical spin structure factor in the parent compounds can provide key information on important interactions relevant in the doped regime, and variations in the magnon dispersion have been linked closely to differences in crystal structure between families of cuprate compounds. Here, we elucidate the relationship between spin excitations and various controlling factors thought to be significant in high-Tc materials by systematically evaluating the dynamical spin structure factor for the three-orbital Hubbard model, revealing differences in the spin dispersion along the Brillouin zone axis and the diagonal. Generally, we find that the absolute energy scale and momentum dependence of the excitations primarily are sensitive to the effective charge-transfer energy, while changes in the on-site Coulomb interactions have little effect on the details of the dispersion. In particular, our result highlights the splitting between spin excitations along the axial and diagonal directions in the Brillouin zone. This splitting decreases with increasing charge-transfer energy and correlates with changes in the apical oxygen position, and general structural variations, for different cuprate families.

Valley Zeeman splitting of monolayer MoS2 probed by low-field magnetic circular dichroism spectroscopy at room temperature

NASA Astrophysics Data System (ADS)

Wu, Y. J.; Shen, C.; Tan, Q. H.; Shi, J.; Liu, X. F.; Wu, Z. H.; Zhang, J.; Tan, P. H.; Zheng, H. Z.

2018-04-01

The valley Zeeman splitting of monolayer two-dimensional (2D) materials in the magnetic field plays an important role in the valley and spin manipulations. In general, a high magnetic field (6-65 T) and low temperature (2-30 K) were two key measurement conditions to observe the resolvable valley Zeeman splitting of monolayer 2D materials in current reported experiments. In this study, we experimentally demonstrate an effective measurement scheme by employing magnetic circular dichroism (MCD) spectroscopy, which enables us to distinguish the valley Zeeman splitting under a relatively low magnetic field of 1 T at room temperature. MCD peaks related to both A and B excitonic transitions in monolayer MoS2 can be clearly observed. Based on the MCD spectra under different magnetic fields (-3 to 3 T), we obtained the valley Zeeman splitting energy and the g-factors of A and B excitons, respectively. Our results show that MCD spectroscopy is a high-sensitive magneto-optical technique to explore the valley and spin manipulation in 2D materials.

[Comparisons and analysis of the spectral response functions' difference between FY-2E's and FY2C's split window channels].

PubMed

Zhang, Yong; Li, Yuan; Rong, Zhi-Guo

2010-06-01

Remote sensors' channel spectral response function (SRF) was one of the key factors to influence the quantitative products' inversion algorithm, accuracy and the geophysical characteristics. Aiming at the adjustments of FY-2E's split window channels' SRF, detailed comparisons between the FY-2E and FY-2C corresponding channels' SRF differences were carried out based on three data collections: the NOAA AVHRR corresponding channels' calibration look up tables, field measured water surface radiance and atmospheric profiles at Lake Qinghai and radiance calculated from the PLANK function within all dynamic range of FY-2E/C. The results showed that the adjustments of FY-2E's split window channels' SRF would result in the spectral range's movements and influence the inversion algorithms of some ground quantitative products. On the other hand, these adjustments of FY-2E SRFs would increase the brightness temperature differences between FY-2E's two split window channels within all dynamic range relative to FY-2C's. This would improve the inversion ability of FY-2E's split window channels.

Plasmon inducing effects for enhanced photoelectrochemical water splitting: X-ray absorption approach to electronic structures.

PubMed

Chen, Hao Ming; Chen, Chih Kai; Chen, Chih-Jung; Cheng, Liang-Chien; Wu, Pin Chieh; Cheng, Bo Han; Ho, You Zhe; Tseng, Ming Lun; Hsu, Ying-Ya; Chan, Ting-Shan; Lee, Jyh-Fu; Liu, Ru-Shi; Tsai, Din Ping

2012-08-28

Artificial photosynthesis using semiconductors has been investigated for more than three decades for the purpose of transferring solar energy into chemical fuels. Numerous studies have revealed that the introduction of plasmonic materials into photochemical reaction can substantially enhance the photo response to the solar splitting of water. Until recently, few systematic studies have provided clear evidence concerning how plasmon excitation and which factor dominates the solar splitting of water in photovoltaic devices. This work demonstrates the effects of plasmons upon an Au nanostructure-ZnO nanorods array as a photoanode. Several strategies have been successfully adopted to reveal the mutually independent contributions of various plasmonic effects under solar irradiation. These have clarified that the coupling of hot electrons that are formed by plasmons and the electromagnetic field can effectively increase the probability of a photochemical reaction in the splitting of water. These findings support a new approach to investigating localized plasmon-induced effects and charge separation in photoelectrochemical processes, and solar water splitting was used herein as platform to explore mechanisms of enhancement of surface plasmon resonance.

The microwave spectrum of a triplet carbene: HCCN in the X 3Sigma - state

NASA Astrophysics Data System (ADS)

Saito, Shuji; Endo, Yasuki; Hirota, Eizi

1984-02-01

A simple carbene, the HCCN radical, has been identified in the gas phase using a microwave spectroscopic method. The HCCN molecule was generated in a free space absorption cell by the reaction of CH3CN with the microwave discharge products of CF4. Five rotational transitions, each split into three fine structure components, were observed in the region of 110 to 198 GHz. No hyperfine structure was resolved, although some of the observed lines showed broadening. The rotational constant, the centrifugal distortion constant, the spin-spin coupling constant, and the spin-rotation coupling constant were determined with good precision. The observed spectrum is completely consistent with that expected for a linear molecule in a 3Σ state, in agreement with an earlier matrix EPR study of Bernheim et al. [J. Chem. Phys. 43, 196 (1965)].

An abuttable CCD imager for visible and X-ray focal plane arrays

NASA Technical Reports Server (NTRS)

Burke, Barry E.; Mountain, Robert W.; Harrison, David C.; Bautz, Marshall W.; Doty, John P.

1991-01-01

A frame-transfer silicon charge-coupled-device (CCD) imager has been developed that can be closely abutted to other imagers on three sides of the imaging array. It is intended for use in multichip arrays. The device has 420 x 420 pixels in the imaging and frame-store regions and is constructed using a three-phase triple-polysilicon process. Particular emphasis has been placed on achieving low-noise charge detection for low-light-level imaging in the visible and maximum energy resolution for X-ray spectroscopic applications. Noise levels of 6 electrons at 1-MHz and less than 3 electrons at 100-kHz data rates have been achieved. Imagers have been fabricated on 1000-Ohm-cm material to maximize quantum efficiency and minimize split events in the soft X-ray regime.

Simulations of resonant Raman response in bundles of semiconductor carbon nanotubes

NASA Astrophysics Data System (ADS)

Roslyak, Oleksiy; Piryatinski, Andrei; Doorn, Stephen; Haroz, Erik; Telg, Hagen; Duque, Juan; Crochet, Jared; Simpson, J. R.; Hight Walker, A. R.; LANL Collaboration; Fordham Collaboration; NIST Collaboration

This work is motivated by an experimental study of resonant Raman spectroscopy under E22 excitation, which shows a new, sharp feature associated with bundling in (6,5) semiconductor carbon nanotubes. In order to provide an insight into the experimental data, we model Raman excitation spectra using our modified discrete dipole approximation (DDA) method. The calculations account for the exciton states polarized along and across the nanotube axis that are characterized by a small energy splitting. Strong polarization of the nanotubes forming the bundle results in the exciton state mixing whose spectroscopic signatures such as peaks positions, line widths, and depolarization ratio are calculated and compared to the experiment. Furthermore, the effects of the energy and structural disorder, as well as structural defects within the bundle are also examined and compared with the experimental data.

Simulations of resonant Raman response in bundles of semiconductor carbon nanotubes

NASA Astrophysics Data System (ADS)

Roslyak, Oleksiy; Doorn, Stephen; Haroz, Erik; Duque, Juan; Crochet, Jared; Telg, Hagen; Hight Walker, Angela; Simpson, Jeffrey; Piryatinski, Andrei

This work is motivated by experimental study of resonant Raman response associated with E22 exciton state coupled to G+-mode vibrational mode in bundles of (6,5) semiconductor carbon nanotubes. In order to provide an insight into experimental data, we model Raman excitation spectra using our modified discrete dipole approximation (DDA) method. The calculations account for the exciton states polarized along and across the nanotube axis that are characterized by a small energy splitting. Strong polarization of the nanotubes forming the bundle results in the exciton state mixing whose spectroscopic signatures such as peaks positions, line widths, and depolarization ratio are calculated and compared to the experiment. Furthermore, the effects of the energy and structural disorder, as well as structural defects within the bundle are also examined and compared with the experimental data.

The Microwave Spectroscopy Study of 1,2-DIMETHOXYETHANE

NASA Astrophysics Data System (ADS)

Li, Weixing; Vigorito, Annalisa; Calabrese, Camilla; Evangelisti, Luca; Favero, Laura B.; Maris, Assimo; Melandri, Sonia

2017-06-01

With Pulsed-Jet Fourier Transform MicroWave (PJ-FTMW) spectroscopy and Stark modulated Free Jet Millimeter-Wave absorption (FJ-AMMW) spectroscopy, the rotational spectra of two conformers of 1,2-Dimethoxyethane were identified and characterized. Besides the normal species, the spectra of all the mono-substituted ^{13}C isotopologues in natural abundance were also measured. By fitting the rotational transitions split by the methyl internal rotations using both XIAM and ERHAM programs, the spectroscopic parameters were obtained and compared. The rotational constants indicated the conformers to be TGT and TGG', respectively. With the rotational constants of the normal and ^{13}C species, the coordinates of the substituted carbon atoms could be calculated with Kraitchmann's equations. The carbon-frameworks further confirmed the assignment of the two conformations. The V_{3} barriers of the two methyl groups' internal rotations were also experimentally determined.

The osmotic stress response of split influenza vaccine particles in an acidic environment.

PubMed

Choi, Hyo-Jick; Kim, Min-Chul; Kang, Sang-Moo; Montemagno, Carlo D

2014-12-01

Oral influenza vaccine provides an efficient means of preventing seasonal and pandemic disease. In this work, the stability of envelope-type split influenza vaccine particles in acidic environments has been investigated. Owing to the fact that hyper-osmotic stress can significantly affect lipid assembly of vaccine, osmotic stress-induced morphological change of split vaccine particles, in conjunction with structural change of antigenic proteins, was investigated by the use of stopped-flow light scattering (SFLS), intrinsic fluorescence, transmission electron microscopy (TEM), and hemagglutination assay. Split vaccine particles were found to exhibit a step-wise morphological change in response to osmotic stress due to double-layered wall structure. The presence of hyper-osmotic stress in acidic medium (0.3 osmolarity, pH 2.0) induced a significant level of membrane perturbation as measured by SFLS and TEM, imposing more damage to antigenic proteins on vaccine envelope than can be caused by pH-induced conformational change at acidic iso-osmotic condition. Further supports were provided by the intrinsic fluorescence and hemagglutinin activity measurements. Thus, hyper-osmotic stress becomes an important factor for determining stability of split vaccine particles in acidic medium. These results are useful in better understanding the destabilizing mechanism of split influenza vaccine particles in gastric environment and in designing oral influenza vaccine formulations.

Mixed chimerism and split tolerance

PubMed Central

Al-Adra, David P.

2011-01-01

Establishing hematopoietic mixed chimerism can lead to donor-specific tolerance to transplanted organs and may eliminate the need for long-term immunosuppressive therapy, while also preventing chronic rejection. In this review, we discuss central and peripheral mechanisms of chimerism induced tolerance. However, even in the long-lasting presence of a donor organ or donor hematopoietic cells, some allogeneic tissues from the same donor can be rejected; a phenomenon known as split tolerance. With the current goal of creating mixed chimeras using clinically feasible amounts of donor bone marrow and with minimal conditioning, split tolerance may become more prevalent and its mechanisms need to be explored. Some predisposing factors that may increase the likelihood of split tolerance are immunogenicity of the graft, certain donor-recipient combinations, prior sensitization, location and type of graft and minimal conditioning chimerism induction protocols. Additionally, split tolerance may occur due to a differential susceptibility of various types of tissues to rejection. The mechanisms involved in a tissue’s differential susceptibility to rejection include the presence of polymorphic tissue-specific antigens and variable sensitivity to indirect pathway effector mechanisms. Finally, we review the clinical attempts at allograft tolerance through the induction of chimerism; studies that are revealing the complex relationship between chimerism and tolerance. This relationship often displays split tolerance, and further research into its mechanisms is warranted. PMID:22509425

Cytochrome components of nitrate- and sulfate-respiring Desulfovibrio desulfuricans ATCC 27774.

PubMed Central

Liu, M C; Costa, C; Coutinho, I B; Moura, J J; Moura, I; Xavier, A V; LeGall, J

1988-01-01

Three multiheme c-type cytochromes--the tetraheme cytochrome c3 (molecular weight [MW] 13,500), a dodecaheme cytochrome c (MW 40,800), and a "split-Soret" cytochrome c (MW 51,540), which is a dimer with 2 hemes per subunit (MW 26,300)--were isolated from the soluble fraction of Desulfovibrio desulfuricans (ATCC 27774) grown under nitrate- or sulfate-respiring conditions. Two of them, the dodecaheme and the split-Soret cytochromes, showed no similarities to any of the c-type cytochromes isolated from other sulfate-reducing bacteria, while the tetraheme cytochrome c3 appeared to be analogous to the cytochrome c3 found in other sulfate-reducing bacteria. For all three multiheme c-type cytochromes isolated, the homologous proteins from nitrate- and sulfate-grown cells were indistinguishable in amino acid composition, physical properties, and spectroscopic characteristics. It therefore appears that the same c-type cytochrome components are present when D. desulfuricans ATCC 27774 cells are grown under either condition. This is in contrast to the considerable difference found in Pseudomonas perfectomarina (Liu et al., J. Bacteriol. 154:278-286, 1983), a marine denitrifier, when the cells are grown on nitrate or oxygen as the terminal electron acceptor. In addition, two spectroscopy methods capable of revealing minute structural variations in proteins provided identical information about the tetraheme cytochrome c3 from nitrate-grown and sulfate-grown cells. PMID:2848008

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

Zheng, Rui; School of Mathematics and Information Science, North China University of Water Resources and Electric Power, Zhengzhou 450011; Zheng, Limin

Theoretical studies of the potential energy surface (PES) and bound states are performed for the N{sub 2}–N{sub 2}O van der Waals (vdW) complex. A four-dimensional intermolecular PES is constructed at the level of single and double excitation coupled-cluster method with a non-iterative perturbation treatment of triple excitations [CCSD(T)] with aug-cc-pVTZ basis set supplemented with bond functions. Two equivalent T-shaped global minima are located, in which the O atom of N{sub 2}O monomer is near the N{sub 2} monomer. The intermolecular fundamental vibrational states are assigned by inspecting the orientation of the nodal surface of the wavefunctions. The calculated frequency formore » intermolecular disrotation mode is 23.086 cm{sup −1}, which is in good agreement with the available experimental data of 22.334 cm{sup −1}. A negligible tunneling splitting with the value of 4.2 MHz is determined for the ground vibrational state and the tunneling splitting increases as the increment of the vibrational frequencies. Rotational levels and transition frequencies are calculated for both isotopomers {sup 14}N{sub 2}–N{sub 2}O and {sup 15}N{sub 2}–N{sub 2}O. The accuracy of the PES is validated by the good agreement between theoretical and experimental results for the transition frequencies and spectroscopic parameters.« less

Computational Insights into the O2-evolving complex of photosystem II

PubMed Central

Sproviero, Eduardo M.; McEvoy, James P.; Gascón, José A.; Brudvig, Gary W.; Batista, Victor S.

2009-01-01

Mechanistic investigations of the water-splitting reaction of the oxygen-evolving complex (OEC) of photosystem II (PSII) are fundamentally informed by structural studies. Many physical techniques have provided important insights into the OEC structure and function, including X-ray diffraction (XRD) and extended X-ray absorption fine structure (EXAFS) spectroscopy as well as mass spectrometry (MS), electron paramagnetic resonance (EPR) spectroscopy and Fourier transform infrared spectroscopy applied in conjunction with mutagenesis studies. However, experimental studies have yet to yield consensus as to the exact configuration of the catalytic metal cluster and its ligation scheme. Computational modeling studies, including density functional (DFT) theory combined with quantum mechanics/molecular mechanics (QM/MM) hybrid methods for explicitly including the influence of the surrounding protein, have proposed chemically satisfactory models of the fully ligated OEC within PSII that are maximally consistent with experimental results. The inorganic core of these models is similar to the crystallographic model upon which they were based but comprises important modifications due to structural refinement, hydration and proteinaceous ligation which improve agreement with a wide range of experimental data. The computational models are useful for rationalizing spectroscopic and crystallographic results and for building a complete structure-based mechanism of water-splitting in PSII as described by the intermediate oxidation states of the OEC. This review summarizes these recent advances in QM/MM modeling of PSII within the context of recent experimental studies. PMID:18483777

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

Lim, Dongwook; Han, Sang-Il; Lee, Young-Wook

There is increasing evidence for the presence of multiple red giant branches (RGBs) in the color-magnitude diagrams of massive globular clusters (GCs). In order to investigate the origin of this split on the RGB, we have performed new narrow-band Ca photometry and low-resolution spectroscopy for M22, NGC 1851, and NGC 288. We find significant differences (more than 4σ) in calcium abundance from the spectroscopic HK' index for M22 and NGC 1851. We also find more than 8σ differences in CN-band strength between the Ca-strong and Ca-weak subpopulations for these GCs. For NGC 288, however, a large difference is detected onlymore » in the CN strength. The calcium abundances of RGB stars in this GC are identical to within the errors. This is consistent with the conclusion from our new Ca photometry where the RGB splits are confirmed in M22 and NGC 1851, but not in NGC 288. We also find interesting differences in the CN-CH correlations among these GCs. While CN and CH are anti-correlated in NGC 288, they show a positive correlation in M22. NGC 1851, however, shows no difference in CH between the two groups of stars with different CN strengths. We suggest that all of these systematic differences would be best explained by how strongly Type II supernovae enrichment has contributed to the chemical evolution of these GCs.« less

Optical spectroscopy of Ce3+ ions in BaY2F8 single crystals

NASA Astrophysics Data System (ADS)

Francini, R.; Pinelli, S.; Baraldi, A.; Capelletti, R.; Sani, E.; Toncelli, A.; Tonelli, M.

In the present work we report on the spectroscopic properties of the Ce3+ ion in BaY2F8 single crystals. The absorption and excitation spectra of the emission centered at 340 nm have been measured in the temperature range 15-300 K. The 340 nm emission consists of two broad partially overlapping bands, peaking at 324 and 347 nm (at 15 K), respectively. The full width at half maximum is about 0.5 eV at room temperature. The absorption spectrum of the lowest in energy component of the f --> d transition of Ce3+ reveals at low temperature a marked vibronic structure. High resolution (0.02 cm(-1)) Fourier transform infrared spectroscopy in the wave number range 500-5000 cm(-1) and in the temperature range 9-300 K has been exploited to monitor the f level splitting. The absorption transitions from the three Stark components of the F-2(5/2) manifold to the four of the F-2(7/2) one, have been monitored in the wave number range 2000-3400 cm(-1) . The wave number separation at 9 K between the lowest level of the ground F-2(5/2) manifold and lowest one of the F-2 (7/2) manifold is found to be 2197.47 cm(-1) in good agreement with the splitting detected between the two components of the d --> f emission.

A method for automated control of belt velocity changes with an instrumented treadmill.

PubMed

Hinkel-Lipsker, Jacob W; Hahn, Michael E

2016-01-04

Increased practice difficulty during asymmetrical split-belt treadmill rehabilitation has been shown to improve gait outcomes during retention and transfer tests. However, research in this area has been limited by manual treadmill operation. In the case of variable practice, which requires stride-by-stride changes to treadmill belt velocities, the treadmill control must be automated. This paper presents a method for automation of asymmetrical split-belt treadmill walking, and evaluates how well this method performs with regards to timing of gait events. One participant walked asymmetrically for 100 strides, where the non-dominant limb was driven at their self-selected walking speed, while the other limb was driven randomly on a stride-by-stride basis. In the control loop, the key factors to insure that the treadmill belt had accelerated to its new velocity safely during the swing phase were the sampling rate of the A/D converter, processing time within the controller software, and acceleration of the treadmill belt. The combination of these three factors resulted in a total control loop time during each swing phase that satisfied these requirements with a factor of safety that was greater than 4. Further, a polynomial fit indicated that belt acceleration was the largest contributor to changes in this total time. This approach appears to be safe and reliable for stride-by-stride adjustment of treadmill belt speed, making it suitable for future asymmetrical split-belt walking studies. Further, it can be incorporated into virtual reality rehabilitation paradigms that utilize split-belt treadmill walking. Copyright © 2015 Elsevier Ltd. All rights reserved.

Optimal preparation-to-colonoscopy interval in split-dose PEG bowel preparation determines satisfactory bowel preparation quality: an observational prospective study.

PubMed

Seo, Eun Hee; Kim, Tae Oh; Park, Min Jae; Joo, Hee Rin; Heo, Nae Yun; Park, Jongha; Park, Seung Ha; Yang, Sung Yeon; Moon, Young Soo

2012-03-01

Several factors influence bowel preparation quality. Recent studies have indicated that the time interval between bowel preparation and the start of colonoscopy is also important in determining bowel preparation quality. To evaluate the influence of the preparation-to-colonoscopy (PC) interval (the interval of time between the last polyethylene glycol dose ingestion and the start of the colonoscopy) on bowel preparation quality in the split-dose method for colonoscopy. Prospective observational study. University medical center. A total of 366 consecutive outpatients undergoing colonoscopy. Split-dose bowel preparation and colonoscopy. The quality of bowel preparation was assessed by using the Ottawa Bowel Preparation Scale according to the PC interval, and other factors that might influence bowel preparation quality were analyzed. Colonoscopies with a PC interval of 3 to 5 hours had the best bowel preparation quality score in the whole, right, mid, and rectosigmoid colon according to the Ottawa Bowel Preparation Scale. In multivariate analysis, the PC interval (odds ratio [OR] 1.85; 95% CI, 1.18-2.86), the amount of PEG ingested (OR 4.34; 95% CI, 1.08-16.66), and compliance with diet instructions (OR 2.22l 95% CI, 1.33-3.70) were significant contributors to satisfactory bowel preparation. Nonrandomized controlled, single-center trial. The optimal time interval between the last dose of the agent and the start of colonoscopy is one of the important factors to determine satisfactory bowel preparation quality in split-dose polyethylene glycol bowel preparation. Copyright © 2012 American Society for Gastrointestinal Endoscopy. Published by Mosby, Inc. All rights reserved.

TOTAL ORE PROCESSING INTEGRATION AND MANAGEMENT

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

Leslie Gertsch; Richard Gertsch

2005-05-16

The lessons learned from ore segregation test No.3 were presented to Minntac Mine personnel during the reporting period. Ore was segregated by A-Factor, with low values going to Step 1/2 and high values going to Step 3. During the test, the mine maintained the best split possible for the given production and location constraints. During the test, Step 1&2 A-Factor was lowered more than Step 3 was raised. All other ore quality changes were not manipulated, but the segregation by A-Factor affected most of the other qualities. Magnetic iron, coarse tails, fine tails, silica, and grind changed in response tomore » the split. Segregation was achieved by adding ore from HIS to the Step 3 blend and lowering the amount of LC 1&2 and somewhat lowering the amount of LC 3&4. Conversely, Step 1&2 received less HIS with a corresponding increase in LC 1&2. The amount of IBC was increased to both Steps about one-third of the way into the test. For about the center half of the test, LC 3&4 was reduced to both Steps. The most noticeable layer changes were, then: an increase in the HIS split; a decrease in the LC 1&2 split; adding IBC to both Steps; and lowering LC 3&4 to both Steps. Statistical analysis of the dataset collected during ordinary, non-segregated operation of the mine and mill is continuing. Graphical analysis of blast patterns according to drill monitor data was slowed by student classwork. It is expected to resume after the semester ends in May.« less

Evaluation of the Transverse Displacement of the Proximal Segment After Bilateral Sagittal Split Ramus Osteotomy With Different Lingual Split Patterns and Advancement Amounts Using the Finite Element Method.

PubMed

Dai, Zhi; Hou, Min; Ma, Wen; Song, Da-Li; Zhang, Chun-Xiang; Zhou, Wei-Yuan

2016-11-01

To evaluate transverse displacement of the proximal segment after bilateral sagittal split ramus osteotomy (BSSO) advancement with different lingual split patterns and advancement amounts and to determine the influential factors related to mandibular width. A 3-dimensional finite element model of the mandible including the temporomandibular joint was created for a presurgical simulation and for BSSO with lingual split patterns I (T1; Hunsuck split) and II (T2; Obwegeser split). The mandible was advanced 3 mm (A3) and 8 mm (A8) and fixated with a conventional titanium plate. Ansys software was used to measure the linear distances of the interproximal segments and to analyze the transverse displacement distribution of proximal segments after applying the load of masticatory muscle force groups. After surgical simulation, T1A3, T1A8, T2A3, and T2A8 showed increased transverse widths (mean, 2.99, 4.70, 2.36, and 4.42 mm, respectively). For transverse augmentation, there was a statistically significant difference between the 2 different mandibular advancement amounts in T1 and in T2 (P ≤ .000), but no significant differences was observed between T1 and T2 (P ≥ .058). The maximum transverse displacement distribution in the proximal segment was measured around the gonial area, and the early contact area was found near the border between the horizontal and sagittal osteotomy lines. Transverse displacements of proximal segments occur after BSSO advancement with T1 and T2 and transverse augmentation has statistically meaningful effects depending on the amount of advancement; however, no differences in transverse augmentation between T1 and T2 were identified. The fulcrum caused by the early contact between the proximal and distal segments could be an influential factor related to mandibular width. Copyright © 2016 American Association of Oral and Maxillofacial Surgeons. Published by Elsevier Inc. All rights reserved.

The Counseling Competencies Scale: Validation and Refinement

ERIC Educational Resources Information Center

Lambie, Glenn W.; Mullen, Patrick R.; Swank, Jacqueline M.; Blount, Ashley

2018-01-01

Supervisors evaluated counselors-in-training at multiple points during their practicum experience using the Counseling Competencies Scale (CCS; N = 1,070). The CCS evaluations were randomly split to conduct exploratory factor analysis and confirmatory factor analysis, resulting in a 2-factor model (61.5% of the variance explained).

Revised spectroscopic parameters of SH+ from ALMA★ and IRAM 30m★★ observations★★★

PubMed Central

Müller, Holger S. P.; Goicoechea, Javier R.; Cernicharo, José; Agúndez, Marcelino; Pety, Jérôme; Cuadrado, Sara; Gerin, Maryvonne; Dumas, Gaëlle; Chapillon, Edwige

2015-01-01

Hydrides represent the first steps of interstellar chemistry. Sulfanylium (SH+), in particular, is a key tracer of energetic processes. We used ALMA and the IRAM 30 m telescope to search for the lowest frequency rotational lines of SH+ toward the Orion Bar, the prototypical photo-dissociation region illuminated by a strong UV radiation field. On the basis of previous Herschel/HIFI observations of SH+, we expected to detect emission of the two SH+ hyperfine structure (HFS) components of the NJ = 10–01 fine structure (FS) component near 346 GHz. While we did not observe any lines at the frequencies predicted from laboratory data, we detected two emission lines, each ~15 MHz above the SH+ predictions and with relative intensities and HFS splitting expected for SH+. The rest frequencies of the two newly detected lines are more compatible with the remainder of the SH+ laboratory data than the single line measured in the laboratory near 346 GHz and previously attributed to SH+. Therefore, we assign these new features to the two SH+ HFS components of the NJ = 10–01 FS component and re-determine its spectroscopic parameters, which will be useful for future observations of SH+, in particular if its lowest frequency FS components are studied. Our observations demonstrate the suitability of these lines for SH+ searches at frequencies easily accessible from the ground. PMID:26525172

Kinetic and spectroscopic characterization of tungsten-substituted DMSO reductase from Rhodobacter sphaeroides.

PubMed

Pacheco, Josué; Niks, Dimitri; Hille, Russ

2018-03-01

We have examined the kinetic and spectroscopic properties of a tungsten-substituted form of DMSO reductase from Rhodobacter sphaeroides, an enzyme that normally possesses molybdenum. Partial reduction with sodium dithionite yields a well-resolved W(V) EPR signal of the so-called "high-g split" type that exhibits markedly greater g-anisotropy than the corresponding Mo(V) signal of the native form of the enzyme, with the g values shifted to higher magnetic field by as much as Δg ave  = 0.056. Deuteration of the enzyme confirms that the coupled proton is solvent-exchangeable, allowing us to accurately simulate the tungsten hyperfine coupling. Global curve-fitting analysis of UV/vis absorption spectra observed in the course of the reaction of the tungsten-substituted enzyme with sodium dithionite affords a well-defined absorption spectrum for the W(V) species. Surprisingly, the absorption spectrum for this species exhibits significantly larger molar extinction coefficients than either the reduced or the oxidized spectrum. This spectrum, in conjunction with those for fully oxidized W(VI) and fully reduced W(IV) enzyme, has been used to deconvolute the absorption spectra seen in the course of turnover, in the which enzyme is reacted with sodium dithionite and DMSO, demonstrating that the W(V) is an authentic catalytic intermediate that accumulates to approximately 50% of the total enzyme in the steady state.

A soft X-ray spectroscopic perspective of electron localization and transport in tungsten doped bismuth vanadate single crystals.

PubMed

Jovic, Vedran; Rettie, Alexander J E; Singh, Vijay R; Zhou, Jianshi; Lamoureux, Bethany; Buddie Mullins, C; Bluhm, Hendrik; Laverock, Jude; Smith, Kevin E

2016-11-23

Doped BiVO 4 is a promising photoelectrochemical water splitting anode, whose activity is hampered by poor charge transport. Here we use a set of X-ray spectroscopic methods to probe the origin and nature of localized electron states in W:BiVO 4 . Furthermore, using the polarized nature of the X-rays, we probe variations in the electronic structure along the crystal axes. In this manner, we reveal aspects of the electronic structure related to electron localization and observations consistent with conductivity anisotropy between the ab-plane and c-axis. We verify that tungsten substitutes as W 6+ for V 5+ in BiVO 4 . This is shown to result in the presence of inter-band gap states related to electrons at V 4+ sites of e symmetry. The energetic position of the states in the band gap suggest that they are highly localized and may act as recombination centres. Polarization dependent X-ray absorption spectra reveal anisotropy in the electronic structure between the ab-plane and c-axis. Results show the superior hybridization between V 3d and O 2p states, higher V wavefunction overlap and broader conduction bands in the ab-plane than in the c-axis. These insights into the electronic structure are discussed in the context of existing experimental and theoretical reports regarding charge transport in BiVO 4 .

[NiFeSe]-hydrogenase chemistry.

PubMed

Wombwell, Claire; Caputo, Christine A; Reisner, Erwin

2015-11-17

The development of technology for the inexpensive generation of the renewable energy vector H2 through water splitting is of immediate economic, ecological, and humanitarian interest. Recent interest in hydrogenases has been fueled by their exceptionally high catalytic rates for H2 production at a marginal overpotential, which is presently only matched by the nonscalable noble metal platinum. The mechanistic understanding of hydrogenase function guides the design of synthetic catalysts, and selection of a suitable hydrogenase enables direct applications in electro- and photocatalysis. [FeFe]-hydrogenases display excellent H2 evolution activity, but they are irreversibly damaged upon exposure to O2, which currently prevents their use in full water splitting systems. O2-tolerant [NiFe]-hydrogenases are known, but they are typically strongly biased toward H2 oxidation, while H2 production by [NiFe]-hydrogenases is often product (H2) inhibited. [NiFeSe]-hydrogenases are a subclass of [NiFe]-hydrogenases with a selenocysteine residue coordinated to the active site nickel center in place of a cysteine. They exhibit a combination of unique properties that are highly advantageous for applications in water splitting compared with other hydrogenases. They display a high H2 evolution rate with marginal inhibition by H2 and tolerance to O2. [NiFeSe]-hydrogenases are therefore one of the most active molecular H2 evolution catalysts applicable in water splitting. Herein, we summarize our recent progress in exploring the unique chemistry of [NiFeSe]-hydrogenases through biomimetic model chemistry and the chemistry with [NiFeSe]-hydrogenases in semiartificial photosynthetic systems. We gain perspective from the structural, spectroscopic, and electrochemical properties of the [NiFeSe]-hydrogenases and compare them with the chemistry of synthetic models of this hydrogenase active site. Our synthetic models give insight into the effects on the electronic properties and reactivity of the active site upon the introduction of selenium. We have utilized the exceptional properties of the [NiFeSe]-hydrogenase from Desulfomicrobium baculatum in a number of photocatalytic H2 production schemes, which are benchmark systems in terms of single site activity, tolerance toward O2, and in vitro water splitting with biological molecules. Each system comprises a light-harvesting component, which allows for light-driven electron transfer to the hydrogenase in order for it to catalyze H2 production. A system with [NiFeSe]-hydrogenase on a dye-sensitized TiO2 nanoparticle gives an enzyme-semiconductor hybrid for visible light-driven generation of H2 with an enzyme-based turnover frequency of 50 s(-1). A stable and inexpensive polymeric carbon nitride as a photosensitizer in combination with the [NiFeSe]-hydrogenase shows good activity for more than 2 days. Light-driven H2 evolution with the enzyme and an organic dye under high O2 levels demonstrates the excellent robustness and feasibility of water splitting with a hydrogenase-based scheme. This has led, most recently, to the development of a light-driven full water splitting system with a [NiFeSe]-hydrogenase wired to the water oxidation enzyme photosystem II in a photoelectrochemical cell. In contrast to the other systems, this photoelectrochemical system does not rely on a sacrificial electron donor and allowed us to establish the long sought after light-driven water splitting with an isolated hydrogenase.

Effect of skin graft thickness on scar development in a porcine burn model.

PubMed

DeBruler, Danielle M; Blackstone, Britani N; McFarland, Kevin L; Baumann, Molly E; Supp, Dorothy M; Bailey, J Kevin; Powell, Heather M

2018-06-01

Animal models provide a way to investigate scar therapies in a controlled environment. It is necessary to produce uniform, reproducible scars with high anatomic and biologic similarity to human scars to better evaluate the efficacy of treatment strategies and to develop new treatments. In this study, scar development and maturation were assessed in a porcine full-thickness burn model with immediate excision and split-thickness autograft coverage. Red Duroc pigs were treated with split-thickness autografts of varying thickness: 0.026in. ("thin") or 0.058in. ("thick"). Additionally, the thin skin grafts were meshed and expanded at 1:1.5 or 1:4 to evaluate the role of skin expansion in scar formation. Overall, the burn-excise-autograft model resulted in thick, raised scars. Treatment with thick split-thickness skin grafts resulted in less contraction and reduced scarring as well as improved biomechanics. Thin skin autograft expansion at a 1:4 ratio tended to result in scars that contracted more with increased scar height compared to the 1:1.5 expansion ratio. All treatment groups showed Matrix Metalloproteinase 2 (MMP2) and Transforming Growth Factor β1 (TGF-β1) expression that increased over time and peaked 4 weeks after grafting. Burns treated with thick split-thickness grafts showed decreased expression of pro-inflammatory genes 1 week after grafting, including insulin-like growth factor 1 (IGF-1) and TGF-β1, compared to wounds treated with thin split-thickness grafts. Overall, the burn-excise-autograft model using split-thickness autograft meshed and expanded to 1:1.5 or 1:4, resulted in thick, raised scars similar in appearance and structure to human hypertrophic scars. This model can be used in future studies to study burn treatment outcomes and new therapies. Copyright © 2017 Elsevier Ltd and ISBI. All rights reserved.

Neutron-hole strength in the N = 81 isotones

NASA Astrophysics Data System (ADS)

Howard, A. M.; Freeman, S. J.; Schiffer, J. P.; Bloxham, T.; Clark, J. A.; Deibel, C. M.; Kay, B. P.; Parker, P. D.; Sharp, D. K.; Thomas, J. S.

2012-09-01

The distribution of neutron-hole strength has been studied in the N = 81 isotones 137Ba, 139Ce, 141Nd and 143Sm through the single-neutron removing reactions (p,d) and (3He,α), at energies of 23 and 34 MeV, respectively. Systematic cross section measurements were made at angles sensitive to the transferred angular momentum, and spectroscopic factors extracted through a distorted-wave Born approximation analysis. Application of the MacFarlane-French sum rules indicate an anomalously low summed g7/2 spectroscopic factor, most likely due to extensive fragmentation of the single-particle strength. Single-particle energies, based upon the centroids of observed strength, are presented.

Method of absorbance correction in a spectroscopic heating value sensor

DOEpatents

Saveliev, Alexei; Jangale, Vilas Vyankatrao; Zelepouga, Sergeui; Pratapas, John

2013-09-17

A method and apparatus for absorbance correction in a spectroscopic heating value sensor in which a reference light intensity measurement is made on a non-absorbing reference fluid, a light intensity measurement is made on a sample fluid, and a measured light absorbance of the sample fluid is determined. A corrective light intensity measurement at a non-absorbing wavelength of the sample fluid is made on the sample fluid from which an absorbance correction factor is determined. The absorbance correction factor is then applied to the measured light absorbance of the sample fluid to arrive at a true or accurate absorbance for the sample fluid.

Spectroscopically Enhanced Method and System for Multi-Factor Biometric Authentication

NASA Astrophysics Data System (ADS)

Pishva, Davar

This paper proposes a spectroscopic method and system for preventing spoofing of biometric authentication. One of its focus is to enhance biometrics authentication with a spectroscopic method in a multifactor manner such that a person's unique ‘spectral signatures’ or ‘spectral factors’ are recorded and compared in addition to a non-spectroscopic biometric signature to reduce the likelihood of imposter getting authenticated. By using the ‘spectral factors’ extracted from reflectance spectra of real fingers and employing cluster analysis, it shows how the authentic fingerprint image presented by a real finger can be distinguished from an authentic fingerprint image embossed on an artificial finger, or molded on a fingertip cover worn by an imposter. This paper also shows how to augment two widely used biometrics systems (fingerprint and iris recognition devices) with spectral biometrics capabilities in a practical manner and without creating much overhead or inconveniencing their users.

Scale for positive aspects of caregiving experience: development, reliability, and factor structure.

PubMed

Kate, N; Grover, S; Kulhara, P; Nehra, R

2012-06-01

OBJECTIVE. To develop an instrument (Scale for Positive Aspects of Caregiving Experience [SPACE]) that evaluates positive caregiving experience and assess its psychometric properties. METHODS. Available scales which assess some aspects of positive caregiving experience were reviewed and a 50-item questionnaire with a 5-point rating was constructed. In all, 203 primary caregivers of patients with severe mental disorders were asked to complete the questionnaire. Internal consistency, test-retest reliability, cross-language reliability, split-half reliability, and face validity were evaluated. Principal component factor analysis was run to assess the factorial validity of the scale. RESULTS. The scale developed as part of the study was found to have good internal consistency, test-retest reliability, cross-language reliability, split-half reliability, and face validity. Principal component factor analysis yielded a 4-factor structure, which also had good test-retest reliability and cross-language reliability. There was a strong correlation between the 4 factors obtained. CONCLUSION. The SPACE developed as part of this study has good psychometric properties.

An examination of the factor structure and sex invariance of a French translation of the Body Appreciation Scale-2 in university students.

PubMed

Kertechian, Sevag; Swami, Viren

2017-06-01

The Body Appreciation Scale-2 (BAS-2) is a measure of positive body image that has been found that have a one-dimensional factor structure in a number of different cultural groups. Here, we examined the factor structure and sex-based measurement invariance of a French translation of the BAS-2. A total of 652 university students (age M=21.33, SD=3.18) completed a newly-translated French version of the BAS-2. Exploratory factor analyses with a randomly selected split-half subsample revealed that the BAS-2 had a one-dimensional factor structure in both sexes. Confirmatory factor analyses with a second split-half subsample indicated that the one-dimensional factor structure had adequate fit following modifications and was invariant across sex. French BAS-2 scores had adequate internal consistency and men had significantly higher body appreciation than women (ds=.16-.23). These results provide preliminary support for the factorial validity of the French BAS-2. Copyright © 2017 Elsevier Ltd. All rights reserved.

Time domain simulation of Gd3+-Gd3+ distance measurements by EPR

NASA Astrophysics Data System (ADS)

Manukovsky, Nurit; Feintuch, Akiva; Kuprov, Ilya; Goldfarb, Daniella

2017-07-01

Gd3+-based spin labels are useful as an alternative to nitroxides for intramolecular distance measurements at high fields in biological systems. However, double electron-electron resonance (DEER) measurements using model Gd3+ complexes featured a low modulation depth and an unexpected broadening of the distance distribution for short Gd3+-Gd3+ distances, when analysed using the software designed for S = 1/2 pairs. It appears that these effects result from the different spectroscopic characteristics of Gd3+—the high spin, the zero field splitting (ZFS), and the flip-flop terms in the dipolar Hamiltonian that are often ignored for spin-1/2 systems. An understanding of the factors affecting the modulation frequency and amplitude is essential for the correct analysis of Gd3+-Gd3+ DEER data and for the educated choice of experimental settings, such as Gd3+ spin label type and the pulse parameters. This work uses time-domain simulations of Gd3+-Gd3+ DEER by explicit density matrix propagation to elucidate the factors shaping Gd3+ DEER traces. The simulations show that mixing between the |+½, -½> and |-½, +½> states of the two spins, caused by the flip-flop term in the dipolar Hamiltonian, leads to dampening of the dipolar modulation. This effect may be mitigated by a large ZFS or by pulse frequency settings allowing for a decreased contribution of the central transition and the one adjacent to it. The simulations reproduce both the experimental line shapes of the Fourier-transforms of the DEER time domain traces and the trends in the behaviour of the modulation depth, thus enabling a more systematic design and analysis of Gd3+ DEER experiments.

Dynamic adaptive chemistry with operator splitting schemes for reactive flow simulations

NASA Astrophysics Data System (ADS)

Ren, Zhuyin; Xu, Chao; Lu, Tianfeng; Singer, Michael A.

2014-04-01

A numerical technique that uses dynamic adaptive chemistry (DAC) with operator splitting schemes to solve the equations governing reactive flows is developed and demonstrated. Strang-based splitting schemes are used to separate the governing equations into transport fractional substeps and chemical reaction fractional substeps. The DAC method expedites the numerical integration of reaction fractional substeps by using locally valid skeletal mechanisms that are obtained using the directed relation graph (DRG) reduction method to eliminate unimportant species and reactions from the full mechanism. Second-order temporal accuracy of the Strang-based splitting schemes with DAC is demonstrated on one-dimensional, unsteady, freely-propagating, premixed methane/air laminar flames with detailed chemical kinetics and realistic transport. The use of DAC dramatically reduces the CPU time required to perform the simulation, and there is minimal impact on solution accuracy. It is shown that with DAC the starting species and resulting skeletal mechanisms strongly depend on the local composition in the flames. In addition, the number of retained species may be significant only near the flame front region where chemical reactions are significant. For the one-dimensional methane/air flame considered, speed-up factors of three and five are achieved over the entire simulation for GRI-Mech 3.0 and USC-Mech II, respectively. Greater speed-up factors are expected for larger chemical kinetics mechanisms.

Habitat split and the global decline of amphibians.

PubMed

Becker, Carlos Guilherme; Fonseca, Carlos Roberto; Haddad, Célio Fernando Baptista; Batista, Rômulo Fernandes; Prado, Paulo Inácio

2007-12-14

The worldwide decline in amphibians has been attributed to several causes, especially habitat loss and disease. We identified a further factor, namely "habitat split"-defined as human-induced disconnection between habitats used by different life history stages of a species-which forces forest-associated amphibians with aquatic larvae to make risky breeding migrations between suitable aquatic and terrestrial habitats. In the Brazilian Atlantic Forest, we found that habitat split negatively affects the richness of species with aquatic larvae but not the richness of species with terrestrial development (the latter can complete their life cycle inside forest remnants). This mechanism helps to explain why species with aquatic larvae have the highest incidence of population decline. These findings reinforce the need for the conservation and restoration of riparian vegetation.

Evaluation of Proposed Rocket Engines for Earth-to-Orbit Vehicles

NASA Technical Reports Server (NTRS)

Martin, James A.; Kramer, Richard D.

1990-01-01

The objective is to evaluate recently analyzed rocket engines for advanced Earth-to-orbit vehicles. The engines evaluated are full-flow staged combustion engines and split expander engines, both at mixture ratios at 6 and above with oxygen and hydrogen propellants. The vehicles considered are single-stage and two-stage fully reusable vehicles and the Space Shuttle with liquid rocket boosters. The results indicate that the split expander engine at a mixture ratio of about 7 is competitive with the full-flow staged combustion engine for all three vehicle concepts. A key factor in this result is the capability to increase the chamber pressure for the split expander as the mixture ratio is increased from 6 to 7.

Light Modulation and Water Splitting Enhancement Using a Composite Porous GaN Structure.

PubMed

Yang, Chao; Xi, Xin; Yu, Zhiguo; Cao, Haicheng; Li, Jing; Lin, Shan; Ma, Zhanhong; Zhao, Lixia

2018-02-14

On the basis of the laterally porous GaN, we designed and fabricated a composite porous GaN structure with both well-ordered lateral and vertical holes. Compared to the plane GaN, the composite porous GaN structure with the combination of the vertical holes can help to reduce UV reflectance and increase the saturation photocurrent during water splitting by a factor of ∼4.5. Furthermore, we investigated the underlying mechanism for the enhancement of the water splitting performance using a finite-difference time-domain method. The results show that the well-ordered vertical holes can not only help to open the embedded pore channels to the electrolyte at both sides and reduce the migration distance of the gas bubbles during the water splitting reactions but also help to modulate the light field. Using this composite porous GaN structure, most of the incident light can be modulated and trapped into the nanoholes, and thus the electric fields localized in the lateral pores can increase dramatically as a result of the strong optical coupling. Our findings pave a new way to develop GaN photoelectrodes for highly efficient solar water splitting.

Efficacy of endoscopic combined intrarenal surgery in the prone split-leg position for staghorn calculi.

PubMed

Hamamoto, Shuzo; Yasui, Takahiro; Okada, Atsushi; Koiwa, Satoshi; Taguchi, Kazumi; Itoh, Yasunori; Kawai, Noriyasu; Hashimoto, Yoshihiro; Tozawa, Keiichi; Kohri, Kenjiro

2015-01-01

Abstract Purpose: To evaluate the efficacy of endoscopic combined intrarenal surgery (ECIRS) using retrograde flexible ureteroscopy and miniature percutaneous nephrolithotomy (PNL) for the treatment of patients with staghorn calculi in the prone split-leg position. We retrospectively reviewed the records of 42 patients with staghorn calculi (45.8±3.2 mm) who underwent ECIRS using retrograde flexible ureteroscopy and miniature PNL in the prone split-leg position for the treatment of staghorn calculi in our center between December 2010 and August 2013. A flexible ureteroscope with a laser fiber was inserted through a ureteral access sheath, and lithoclast lithotripsy was performed through a mini-percutaneous tract. Both procedures were performed simultaneously by two urologists. Surgical parameters, including surgical time, stone-free (SF) rates, modified Clavien complication grades, and risk factors for residual stones, were analyzed. Fifteen patients (35.7%) had complete staghorn calculi. Among the 42 staghorn calculi treated, 23 had 0 to 5 stone branches, 14 had 6 to 10 stone branches, and 5 had ≥11 stone branches. All procedures were performed successfully using a single lithotripsy tract with the patient in the prone split-leg position. The mean surgical time was 143.2±9.2 minutes. The initial SF rate was 71.4%, and the final SF rate was 83.3% after further treatment. One patient required a blood transfusion (2.4%), but no patient experienced a ≥3 Clavien grade complication. Risk factors for residual stones were stone size, stone surface area, complete staghorn calculi, and the number of stone branches. ECIRS for staghorn calculi in the prone split-leg position is a safe, efficient, and versatile method for the effective management of staghorn calculi without the creation of multiple percutaneous tracts.

Rapid and continuous magnetic separation in droplet microfluidic devices.

PubMed

Brouzes, Eric; Kruse, Travis; Kimmerling, Robert; Strey, Helmut H

2015-02-07

We present a droplet microfluidic method to extract molecules of interest from a droplet in a rapid and continuous fashion. We accomplish this by first marginalizing functionalized super-paramagnetic beads within the droplet using a magnetic field, and then splitting the droplet into one droplet containing the majority of magnetic beads and one droplet containing the minority fraction. We quantitatively analysed the factors which affect the efficiency of marginalization and droplet splitting to optimize the enrichment of magnetic beads. We first characterized the interplay between the droplet velocity and the strength of the magnetic field and its effect on marginalization. We found that marginalization is optimal at the midline of the magnet and that marginalization is a good predictor of bead enrichment through splitting at low to moderate droplet velocities. Finally, we focused our efforts on manipulating the splitting profile to improve the enrichment provided by asymmetric splitting. We designed asymmetric splitting forks that employ capillary effects to preferentially extract the bead-rich regions of the droplets. Our strategy represents a framework to optimize magnetic bead enrichment methods tailored to the requirements of specific droplet-based applications. We anticipate that our separation technology is well suited for applications in single-cell genomics and proteomics. In particular, our method could be used to separate mRNA bound to poly-dT functionalized magnetic microparticles from single cell lysates to prepare single-cell cDNA libraries.

Rapid and continuous magnetic separation in droplet microfluidic devices

PubMed Central

Brouzes, Eric; Kruse, Travis; Kimmerling, Robert; Strey, Helmut H.

2015-01-01

We present a droplet microfluidic method to extract molecules of interest from a droplet in a rapid and continuous fashion. We accomplish this by first marginalizing functionalized super-paramagnetic beads within the droplet using a magnetic field, and then splitting the droplet into one droplet containing the majority of magnetic beads and one droplet containing the minority fraction. We quantitatively analysed the factors which affect the efficiency of marginalization and droplet splitting to optimize the enrichment of magnetic beads. We first characterized the interplay between the droplet velocity and the strength of the magnetic field and its effect on marginalization. We found that marginalization is optimal at the midline of the magnet and that marginalization is a good predictor of bead enrichment through splitting at low to moderate droplet velocities. Finally, we focused our efforts on manipulating the splitting profile to improve the enrichment provided by asymmetric splitting. We designed asymmetric splitting forks that employ capillary effects to preferentially extract the bead-rich regions of the droplets. Our strategy represents a framework to optimize magnetic bead enrichment methods tailored to the requirements of specific droplet-based applications. We anticipate that our separation technology is well suited for applications in single-cell genomics and proteomics. In particular, our method could be used to separate mRNA bound to poly-dT functionalized magnetic microparticles from single cell lysates to prepare single-cell cDNA libraries. PMID:25501881

Real-Time Compressive Sensing MRI Reconstruction Using GPU Computing and Split Bregman Methods

PubMed Central

Smith, David S.; Gore, John C.; Yankeelov, Thomas E.; Welch, E. Brian

2012-01-01

Compressive sensing (CS) has been shown to enable dramatic acceleration of MRI acquisition in some applications. Being an iterative reconstruction technique, CS MRI reconstructions can be more time-consuming than traditional inverse Fourier reconstruction. We have accelerated our CS MRI reconstruction by factors of up to 27 by using a split Bregman solver combined with a graphics processing unit (GPU) computing platform. The increases in speed we find are similar to those we measure for matrix multiplication on this platform, suggesting that the split Bregman methods parallelize efficiently. We demonstrate that the combination of the rapid convergence of the split Bregman algorithm and the massively parallel strategy of GPU computing can enable real-time CS reconstruction of even acquisition data matrices of dimension 40962 or more, depending on available GPU VRAM. Reconstruction of two-dimensional data matrices of dimension 10242 and smaller took ~0.3 s or less, showing that this platform also provides very fast iterative reconstruction for small-to-moderate size images. PMID:22481908

Real-Time Compressive Sensing MRI Reconstruction Using GPU Computing and Split Bregman Methods.

PubMed

Smith, David S; Gore, John C; Yankeelov, Thomas E; Welch, E Brian

2012-01-01

Compressive sensing (CS) has been shown to enable dramatic acceleration of MRI acquisition in some applications. Being an iterative reconstruction technique, CS MRI reconstructions can be more time-consuming than traditional inverse Fourier reconstruction. We have accelerated our CS MRI reconstruction by factors of up to 27 by using a split Bregman solver combined with a graphics processing unit (GPU) computing platform. The increases in speed we find are similar to those we measure for matrix multiplication on this platform, suggesting that the split Bregman methods parallelize efficiently. We demonstrate that the combination of the rapid convergence of the split Bregman algorithm and the massively parallel strategy of GPU computing can enable real-time CS reconstruction of even acquisition data matrices of dimension 4096(2) or more, depending on available GPU VRAM. Reconstruction of two-dimensional data matrices of dimension 1024(2) and smaller took ~0.3 s or less, showing that this platform also provides very fast iterative reconstruction for small-to-moderate size images.

The effect of exchange interaction on quasiparticle Landau levels in narrow-gap quantum well heterostructures.

PubMed

Krishtopenko, S S; Gavrilenko, V I; Goiran, M

2012-04-04

Using the 'screened' Hartree-Fock approximation based on the eight-band k·p Hamiltonian, we have extended our previous work (Krishtopenko et al 2011 J. Phys.: Condens. Matter 23 385601) on exchange enhancement of the g-factor in narrow-gap quantum well heterostructures by calculating the exchange renormalization of quasiparticle energies, the density of states at the Fermi level and the quasiparticle g-factor for different Landau levels overlapping. We demonstrate that exchange interaction yields more pronounced Zeeman splitting of the density of states at the Fermi level and leads to the appearance of peak-shaped features in the dependence of the Landau level energies on the magnetic field at integer filling factors. We also find that the quasiparticle g-factor does not reach the maximum value at odd filling factors in the presence of large overlapping of spin-split Landau levels. We advance an argument that the behavior of the quasiparticle g-factor in weak magnetic fields is defined by a random potential of impurities in narrow-gap heterostructures. © 2012 IOP Publishing Ltd

An ALMA Survey of Submillimeter Galaxies in the Extended Chandra Deep Field South: Spectroscopic Redshifts

NASA Astrophysics Data System (ADS)

Danielson, A. L. R.; Swinbank, A. M.; Smail, Ian; Simpson, J. M.; Casey, C. M.; Chapman, S. C.; da Cunha, E.; Hodge, J. A.; Walter, F.; Wardlow, J. L.; Alexander, D. M.; Brandt, W. N.; de Breuck, C.; Coppin, K. E. K.; Dannerbauer, H.; Dickinson, M.; Edge, A. C.; Gawiser, E.; Ivison, R. J.; Karim, A.; Kovacs, A.; Lutz, D.; Menten, K.; Schinnerer, E.; Weiß, A.; van der Werf, P.

2017-05-01

We present spectroscopic redshifts of {\\text{}}{S}870μ {{m}} ≳ 2 mJy submillimeter galaxies (SMGs), which have been identified from the ALMA follow-up observations of 870 μm detected sources in the Extended Chandra Deep Field South (the ALMA-LESS survey). We derive spectroscopic redshifts for 52 SMGs, with a median of z = 2.4 ± 0.1. However, the distribution features a high-redshift tail, with ˜23% of the SMGs at z≥slant 3. Spectral diagnostics suggest that the SMGs are young starbursts, and the velocity offsets between the nebular emission and UV ISM absorption lines suggest that many are driving winds, with velocity offsets of up to 2000 km s-1. Using the spectroscopic redshifts and the extensive UV-to-radio photometry in this field, we produce optimized spectral energy distributions (SEDs) using Magphys, and use the SEDs to infer a median stellar mass of {M}\\star = (6 ± 1)× 1010 M {}⊙ for our SMGs with spectroscopic redshift. By combining these stellar masses with the star formation rates (measured from the far-infrared SEDs), we show that SMGs (on average) lie a factor of ˜5 above the so-called “main sequence” at z˜ 2. We provide this library of 52 template fits with robust and uniquely well-sampled SEDs as a resource for future studies of SMGs, and also release the spectroscopic catalog of ˜2000 (mostly infrared-selected) galaxies targeted as part of the spectroscopic campaign.

Effect of doping (C or N) and co-doping (C+N) on the photoactive properties of magnetron sputtered titania coatings for the application of solar water-splitting.

PubMed

Rahman, M; Dang, B H Q; McDonnell, K; MacElroy, J M D; Dowling, D P

2012-06-01

The photocatalytic splitting of water into hydrogen and oxygen using a photoelectrochemical (PEC) cell containing titanium dioxide (TiO2) photoanode is a potentially renewable source of chemical fuels. However, the size of the band gap (-3.2 eV) of the TiO2 photocatalyst leads to its relatively low photoactivity toward visible light in a PEC cell. The development of materials with smaller band gaps of approximately 2.4 eV is therefore necessary to operate PEC cells efficiently. This study investigates the effect of dopant (C or N) and co-dopant (C+N) on the physical, structural and photoactivity of TiO2 nano thick coating. TiO2 nano-thick coatings were deposited using a closed field DC reactive magnetron sputtering technique, from titanium target in argon plasma with trace addition of oxygen. In order to study the influence of doping such as C, N and C+N inclusions in the TiO2 coatings, trace levels of CO2 or N2 or CO2+N2 gas were introduced into the deposition chamber respectively. The properties of the deposited nano-coatings were determined using Spectroscopic Ellipsometry, SEM, AFM, Optical profilometry, XPS, Raman, X-ray diffraction UV-Vis spectroscopy and tri-electrode potentiostat measurements. Coating growth rate, structure, surface morphology and roughness were found to be significantly influenced by the types and amount of doping. Substitutional type of doping in all doped sample were confirmed by XPS. UV-vis measurement confirmed that doping (especially for C doped sample) facilitate photoactivity of sputtered deposited titania coating toward visible light by reducing bandgap. The photocurrent density (indirect indication of water splitting performance) of the C-doped photoanode was approximately 26% higher in comparison with un-doped photoanode. However, coating doped with nitrogen (N or N+C) does not exhibit good performance in the photoelectrochemical cell due to their higher charge recombination properties.

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

none,

Oak Ridge Associated Universities (ORAU), under the Oak Ridge Institute for Science and Education (ORISE) contract, collected split surface water samples with Nuclear Fuel Services (NFS) representatives on June 12, 2013. Representatives from the U.S. Nuclear Regulatory Commission (NRC) and the Tennessee Department of Environment and Conservation were also in attendance. Samples were collected at four surface water stations, as required in the approved Request for Technical Assistance number 11-018. These stations included Nolichucky River upstream (NRU), Nolichucky River downstream (NRD), Martin Creek upstream (MCU), and Martin Creek downstream (MCD). Both ORAU and NFS performed gross alpha and gross betamore » analyses, and Table 1 presents the comparison of results using the duplicate error ratio (DER), also known as the normalized absolute difference. A DER ≤ 3 indicates at a 99% confidence interval that split sample results do not differ significantly when compared to their respective one standard deviation (sigma) uncertainty (ANSI N42.22). The NFS split sample report specifies 95% confidence level of reported uncertainties (NFS 2013). Therefore, standard two sigma reporting values were divided by 1.96. In conclusion, most DER values were less than 3 and results are consistent with low (e.g., background) concentrations. The gross beta result for sample 5198W0014 was the exception. The ORAU gross beta result of 6.30 ± 0.65 pCi/L from location NRD is well above NFS's non-detected result of 1.56 ± 0.59 pCi/L. NFS's data package includes no detected result for any radionuclide at location NRD. At NRC's request, ORAU performed gamma spectroscopic analysis of sample 5198W0014 to identify analytes contributing to the relatively elevated gross beta results. This analysis identified detected amounts of naturally-occurring constituents, most notably Ac-228 from the thorium decay series, and does not suggest the presence of site-related contamination.« less

ESR analysis of natural and gamma irradiated coriander (Coriandrum sativum L.) seeds

NASA Astrophysics Data System (ADS)

Sezer, M. Özgür; Kaplan, Necati; Sayin, Ulku

2017-12-01

Electron spin resonance (ESR) is a powerful technique to detect radicals trapped in cellulosic food products and has been suggested as a useful method for identification of irradiated herbal foodstuffs. Coriander spice which has important medicinal properties was investigated using ESR spectroscopy. Radicals in natural and irradiated coriander samples were determined at room temperature. ESR spectra of natural sample were characterized by a single central signal with ? value and gamma irradiation produced satellite peaks attributed to cellulose-like radical which is used as a marker for detection of irradiated cellulosic plant products. The spectroscopic splitting values of radicals were determined. Dose dependency and stability of this center were analyzed by dose response and kinetic measurements. The reported results about activation energy, thermal life time and dose response relationship of the cellulose-like radical accurately prove that ESR can be used for identification of irradiated coriander spice seeds.

Mechanism of Arsenic Adsorption Using Wheat Biomass -- a spectroscopic study

NASA Astrophysics Data System (ADS)

Calvo, Oscar; Manciu, Felicia; Maldonado, Josefina; Gardea-Torresdey, Jorge

2006-10-01

Arsenic is a trace element that is toxic to animals, humans included. Since the current Environmental Protection Agency guidelines regarding water quality standards indicate that arsenic concentrations in excess of 50 ppb are hazardous to welfare of humans, the search for new water remediation methods or improvements of previous methods have been a focus in environmental technology. Investigations of arsenic uptake have used wide range of sorbents including iron oxides and oxyhydroxides, for which it have been proved that arsenic shows high affinity. In this study, we used far-infrared spectroscopy to examine the arsenic reduction using biomaterials. pH dependence analysis by FTIR demonstrates the sorption of iron oxides and oxyhydroxides by the wheat biomass. The splitting of 350 cm-1 amorphous iron oxide vibrations is a direct proof of the arsenic uptake. In addition, there is evidence of sorption of arsenic at sulfhydryl group of cysteine existent in wheat.

Spectroscopic study on deuterated benzenes. II. High-resolution laser spectroscopy and rotational structure in the S{sub 1} state

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

Kunishige, Sachi; Katori, Toshiharu; Baba, Masaaki, E-mail: baba@kuchem.kyoto-u.ac.jp

High-resolution spectra of the S{sub 1}←S{sub 0} transition in jet-cooled deuterated benzenes were observed using pulse dye amplification of single-mode laser light and mass-selective resonance enhanced multiphoton ionization (REMPI) detection. The vibrational and rotational structures were accurately analyzed for the vibronic levels in the S{sub 1} state. The degenerate 6{sup 1} levels of C{sub 6}H{sub 6} or C{sub 6}D{sub 6} are split into 6a{sup 1} and 6b{sup 1} in many of deuterated benzenes. The rigid-rotor rotational constants were assessed and found to be slightly different between 6a and 6b because of different mean molecular structures. Their rotational levels are significantlymore » shifted by Coriolis interactions. It was found that the Coriolis parameter proportionally changed with the number of substituted D atoms.« less

Isolation and Identification of the Antimicrobial Agent Beauvericin from the Endophytic Fusarium oxysporum 5-19 with NMR and ESI-MS/MS

PubMed Central

Ruan, Chuanfen; Bai, Xuelian; Zhang, Miao; Zhu, Shuangshuang; Jiang, Yingying

2016-01-01

Endophytic microbe has been proved to be one of rich sources of bioactive natural products with potential application for new drug and pesticide discovery. One cyclodepsipeptide, beauvericin, was firstly isolated from the fermentation broth of Fusarium oxysporum 5-19 endophytic on Edgeworthia chrysantha Linn. Its chemical structure was unambiguously identified by a combination of spectroscopic methods, such as HRESI-MS and 1H and 13C NMR. ESI-MS/MS was successfully used to elucidate the splitting decomposition route of the positive molecule ion of beauvericin. Antimicrobial results showed that this cyclodepsipeptide had inhibitory effect on three human pathogenic microbes, Candida albicans, Escherichia coli, and Staphylococcus aureus. In particular, beauvericin exhibited the strongest antimicrobial activity against S. aureus with MIC values of 3.91 μM, which had similar effect with that of the positive control amoxicillin. PMID:27413733

Scanning Tunneling Microscopy Study on Dirac Nodal-line Semimetal ZrSiS

NASA Astrophysics Data System (ADS)

Su, Chih-Chuan; Guan, Syu-You; Wang, Tzu-Cheng; Sankar, Raman; Guo, Guang-Yu; Chou, Fangcheng; Chang, Chia-Seng; Chuang, Tien-Ming

The discovery of 3D Dirac nodal-line protected by non-symmophic symmetry in ZrSiS family has been reported by angle resolved photoemission spectroscopy (ARPES) and quantum oscillation measurements. ZrSiS also exhibits a butterfly shaped titanic angular magnetoresistance and strong Zeeman splitting in quantum oscillation. These observations with its layered crystal structure make the ZrSiS family an interesting candidate to understand the novel properties of the nodal-line semimetals. Here, we study the electronic structures of the single crystal ZrSiS by using spectroscopic-imaging scanning tunneling microscope at T= 4.2K. Our quasiparticle scattering interference imaging reveals the characteristic wave vectors with linear dispersion from Dirac line nodes in the bulk and its surface states. Our results are in excellent agreement with the first principle calculation, and also in consistent with ARPES and quantum oscillation measurements.

Landau quantization of Dirac fermions in graphene and its multilayers

NASA Astrophysics Data System (ADS)

Yin, Long-Jing; Bai, Ke-Ke; Wang, Wen-Xiao; Li, Si-Yu; Zhang, Yu; He, Lin

2017-08-01

When electrons are confined in a two-dimensional (2D) system, typical quantum-mechanical phenomena such as Landau quantization can be detected. Graphene systems, including the single atomic layer and few-layer stacked crystals, are ideal 2D materials for studying a variety of quantum-mechanical problems. In this article, we review the experimental progress in the unusual Landau quantized behaviors of Dirac fermions in monolayer and multilayer graphene by using scanning tunneling microscopy (STM) and scanning tunneling spectroscopy (STS). Through STS measurement of the strong magnetic fields, distinct Landau-level spectra and rich level-splitting phenomena are observed in different graphene layers. These unique properties provide an effective method for identifying the number of layers, as well as the stacking orders, and investigating the fundamentally physical phenomena of graphene. Moreover, in the presence of a strain and charged defects, the Landau quantization of graphene can be significantly modified, leading to unusual spectroscopic and electronic properties.

Is there a stable B2Π state for the CNO molecule?

NASA Astrophysics Data System (ADS)

Marian, Christel; Hess, Bernd A.; Schöttke, Sigrid; Buenker, Robert J.

1987-07-01

We report MRD-CI calculations on the ground state X2Π and the excited states A2Σ + and B2Π of the CNO molecule in linear geometry. The surfaces for oxygen and carbon extraction are calculated using a limited CI expansion of 47 configuration state functions; in the vicinity of the minima obtained with this procedure large-scale CI calculations are carried out including deter-mination of the spin-orbit splitting of the 2Π states of the minima. We find that the B2Π state will be difficult to detect spectroscopically due to an avoided crossing just at the equilibrium geometry of the ground state at RCN = 2.25 a.u., RNO = 2.30 a.u. Accordingly we find two shallow minima for B2Π at RCN = 2.33 a.u., RNO = 2.91 a.u. and RCN = 2.78 a.u., RNO = 2.28 a.u., respectively.

Band gap of corundumlike α -Ga2O3 determined by absorption and ellipsometry

NASA Astrophysics Data System (ADS)

Segura, A.; Artús, L.; Cuscó, R.; Goldhahn, R.; Feneberg, M.

2017-07-01

The electronic structure near the band gap of the corundumlike α phase of Ga2O3 has been investigated by means of optical absorption and spectroscopic ellipsometry measurements in the ultraviolet (UV) range (400-190 nm). The absorption coefficient in the UV region and the imaginary part of the dielectric function exhibit two prominent absorption thresholds with wide but well-defined structures at 5.6 and 6.3 eV which have been ascribed to allowed direct transitions from crystal-field split valence bands to the conduction band. Excitonic effects with large Gaussian broadening are taken into account through the Elliott-Toyozawa model, which yields an exciton binding energy of 110 meV and direct band gaps of 5.61 and 6.44 eV. The large broadening of the absorption onset is related to the slightly indirect character of the material.

Revised model core potentials for third-row transition-metal atoms from Lu to Hg

NASA Astrophysics Data System (ADS)

Mori, Hirotoshi; Ueno-Noto, Kaori; Osanai, You; Noro, Takeshi; Fujiwara, Takayuki; Klobukowski, Mariusz; Miyoshi, Eisaku

2009-07-01

We have produced new relativistic model core potentials (spdsMCPs) for the third-row transition-metal atoms from Lu to Hg explicitly treating explicitly 5s and 5p electrons in addition to 5d and 6s electrons in the same manner for the first- and second-row transition-metal atoms given in the previous Letters [Y. Osanai, M.S. Mon, T. Noro, H. Mori, H. Nakashima, M. Klobukowski, E. Miyoshi, Chem. Phys. Lett. 452 (2008) 210; Y. Osanai, E. Soejima, T. Noro, H. Mori, M.S. Mon, M. Klobukowski, E. Miyoshi, Chem. Phys. Lett. 463 (2008) 230]. Using suitable correlating functions with the split-valence MCP functions, we demonstrate that the present MCP basis sets show reasonable performance in describing the electronic structures of atoms and molecules, bringing about accurate excitation energies for atoms and proper spectroscopic constants for Au 2, Hg 2, and AuH.

Effect of relativity on the ionization spectra of the xenon fluorides XeFn (n=2, 4, 6).

PubMed

Pernpointner, Markus; Cederbaum, Lorenz S

2005-06-01

Noble gas compounds exhibit special chemical bonding situations and have been investigated by various spectroscopic and theoretical techniques. In this work we calculate the ionization spectra of the xenon fluorides (XeF2,XeF4, and XeF6) in the valence and subvalence (down to Xe 4d) areas by application of the recently developed Dirac-Hartree-Fock one-particle propagator technique. In this technique, the relativistic (four-component) and electron correlation effects are computed simultaneously. The xenon compounds show considerable spin-orbit splitting strongly influencing the photoelectron spectrum not reproducible in prior calculations. Comparison to one-component methods is made and the occurring satellite structures are interpreted. The satellite structures can be attributed either to the breakdown of the one-particle picture or to a reflection of intra-atomic and interatomic Auger decay processes within the molecule.

An ultraviolet and visible spectroscopic study of a pulsational cycle of RY Sagittarii

NASA Technical Reports Server (NTRS)

Clayton, Geoffrey C.; Lawson, W. A.; Cottrell, P. L.; Whitney, Barbara A.; Stanford, S. Adam; De Ruyter, Frank

1994-01-01

High-dispersion visible and ultraviolet spectra and UBVRI photometry, covering a complete pulsation of the R Coronae Borealis star RY Sgr, have been obtained. The UV spectra were the first high-dispersion data ever obtained for the star. Together these observations comprise the most complete data set covering an RCB star pulsation cycle. The cycle observed was somewhat anomalous as it was affected by a second 55 day pulsation period as well as the primary 38 day period. However, the visible spectra showed the typical line splitting and radial velocity variations which have been observed previously. The simultaneous UV spectra showed much smaller, and phase-shifted, velocity variations than those seen in the visible. No evidence was seen of shock-induced emission at Mg II. These observations provide some support for the models of pulsating hydrogen deficient stars developed by Saio & Wheeler.

Combined experimental and computational study of high-pressure behavior of triphenylene

PubMed Central

Zhao, Xiao-Miao; Zhong, Guo-Hua; Zhang, Jiang; Huang, Qiao-Wei; Goncharov, Alexander F.; Lin, Hai-Qing; Chen, Xiao-Jia

2016-01-01

We have performed measurements of Raman scattering, synchrotron x-ray diffraction, and visible transmission spectroscopy combined with density functional theory calculations to study the pressure effect on solid triphenylene. The spectroscopic results demonstrate substantial change of the molecular configuration at 1.4 GPa from the abrupt change of splitting, disappearance, and appearance of some modes. The structure of triphenylene is found be to stable at high pressures without any evidence of structural transition from the x-ray diffraction patterns. The obtained lattice parameters show a good agreement between experiments and calculations. The obtained band gap systematically decreases with increasing pressure. With the application of pressure, the molecular planes become more and more parallel relative to each other. The theoretical calculations indicate that this organic compound becomes metallic at 180 GPa, fueling the hope for the possible realization of superconductivity at high pressure. PMID:27161429

Lamb dip CRDS of highly saturated transitions of water near 1.4 μm

NASA Astrophysics Data System (ADS)

Kassi, S.; Stoltmann, T.; Casado, M.; Daëron, M.; Campargue, A.

2018-02-01

Doppler-free saturated-absorption Lamb dips were measured at sub-Pa pressures on rovibrational lines of H216O near 7180 cm-1, using optical feedback frequency stabilized cavity ring-down spectroscopy. The saturation of the considered lines is so high that at the early stage of the ring down, the cavity loss rate remains unaffected by the absorption. By referencing the laser source to an optical frequency comb, transition frequencies are determined down to 100 Hz precision and kHz accuracy. The developed setup allows resolving highly K-type blended doublets separated by about 10 MHz (to be compared to a HWHM Doppler width on the order of 300 MHz). A comparison with the most recent spectroscopic databases is discussed. The determined K-type splittings are found to be very well predicted by the most recent variational calculations.

Exciton coupling in molecular crystals

NASA Technical Reports Server (NTRS)

Ake, R. L.

1976-01-01

The implications of perfect exciton coupling and molecular vibrations were investigated, as well as the effect they have on the lifetime of singlet and triplet excitons coupled in a limiting geometry. Crystalline bibenzyl, Cl4Hl4, provided a situation in which these mechanisms involving exciton coupling can be studied in the limit of perfect coupling between units due to the crystal's geometry. This geometry leads to a coupling between the two halves of the molecule resulting in a splitting of the molecular excited states. The study reported involves an experimental spectroscopic approach and begins with the purification of the bibenzyl. The principal experimental apparatus was an emission spectrometer. A closed cycle cryogenic system was used to vary the temperature of the sample between 20 K and 300 K. The desired results are the temperature-dependent emission spectra of the bibenzyl; in addition, the lifetimes and quantum yields measured at each temperature reveal the effect of competing radiationless processes.

Transient electronic anisotropy in overdoped NaF e1 -xC oxAs superconductors

NASA Astrophysics Data System (ADS)

Liu, Shenghua; Zhang, Chunfeng; Deng, Qiang; Wen, Hai-hu; Li, Jian-xin; Chia, Elbert E. M.; Wang, Xiaoyong; Xiao, Min

2018-01-01

By combining polarized pump-probe spectroscopic and Laue x-ray diffraction measurements, we have observed nonequivalent transient optical responses with the probe beam polarized along the x and y axes in overdoped NaF e1 -xC oxAs superconductors. Such transient anisotropic behavior has been uncovered in the tetragonal phase with the doping level and temperature range far from the borders of static nematic phases. The measured transient anisotropy can be well explained as a result of nematic fluctuation driven by an orbital order with energy splitting of the dx z- and dy z-dominant bands. In addition, the doping level dependence and the pressure effect of the crossover temperature show significant differences between the transient nematic fluctuation and static nematic phase, implying spin and orbital orders may play different roles in static and transient nematic behaviors.

Longitudinal Factor Structure of Posttraumatic Stress Symptoms Related to Intimate Partner Violence

ERIC Educational Resources Information Center

Krause, Elizabeth D.; Kaltman, Stacey; Goodman, Lisa A.; Dutton, Mary Ann

2007-01-01

Confirmatory factor analysis (CFA) studies have suggested that a model of posttraumatic stress disorder (PTSD) that is characterized by 4 factors is preferable to competing models. However, the composition of these 4 factors has varied across studies, with 1 model splitting avoidance and numbing symptoms (e.g., D. W. King, G. A. Leskin, L. A.…

Positive Pacing Strategies Are Utilized by Elite Male and Female Para-cyclists in Short Time Trials in the Velodrome.

PubMed

Wright, Rachel L

2015-01-01

In para-cycling, competitors are classed based on functional impairment resulting in cyclists with neurological and locomotor impairments competing against each other. In Paralympic competition, classes are combined by using a factoring adjustment to race times to produce the overall medallists. Pacing in short-duration track cycling events is proposed to utilize an "all-out" strategy in able-bodied competition. However, pacing in para-cycling may vary depending on the level of impairment. Analysis of the pacing strategies employed by different classification groups may offer scope for optimal performance; therefore, this study investigated the pacing strategy adopted during the 1-km time trial (TT) and 500-m TT in elite C1 to C3 para-cyclists and able-bodied cyclists. Total times and intermediate split times (125-m intervals; measured to 0.001 s) were obtained from the C1-C3 men's 1-km TT (n = 28) and women's 500-m TT (n = 9) from the 2012 Paralympic Games and the men's 1-km TT (n = 19) and women's 500-m TT (n = 12) from the 2013 UCI World Track Championships from publically available video. Split times were expressed as actual time, factored time (for the para-cyclists) and as a percentage of total time. A two-way analysis of variance was used to investigate differences in split times between the different classifications and the able-bodied cyclists in the men's 1-km TT and between the para-cyclists and able-bodied cyclists in the women's 500-m TT. The importance of position at the first split was investigated with Kendall's Tau-b correlation. The first 125-m split time was the slowest for all cyclists, representing the acceleration phase from a standing start. C2 cyclists were slowest at this 125-m split, probably due to a combination of remaining seated in this acceleration phase and a high proportion of cyclists in this group being trans-femoral amputees. Not all cyclists used aero-bars, preferring to use drop, flat or bullhorn handlebars. Split times increased in the later stages of the race, demonstrating a positive pacing strategy. In the shorter women's 500-m TT, rank at the first split was more strongly correlated with final position than in the longer men's 1-km TT. In conclusion, a positive pacing strategy was adopted by the different para-cycling classes.

Positive Pacing Strategies Are Utilized by Elite Male and Female Para-cyclists in Short Time Trials in the Velodrome

PubMed Central

Wright, Rachel L.

2016-01-01

In para-cycling, competitors are classed based on functional impairment resulting in cyclists with neurological and locomotor impairments competing against each other. In Paralympic competition, classes are combined by using a factoring adjustment to race times to produce the overall medallists. Pacing in short-duration track cycling events is proposed to utilize an “all-out” strategy in able-bodied competition. However, pacing in para-cycling may vary depending on the level of impairment. Analysis of the pacing strategies employed by different classification groups may offer scope for optimal performance; therefore, this study investigated the pacing strategy adopted during the 1-km time trial (TT) and 500-m TT in elite C1 to C3 para-cyclists and able-bodied cyclists. Total times and intermediate split times (125-m intervals; measured to 0.001 s) were obtained from the C1-C3 men's 1-km TT (n = 28) and women's 500-m TT (n = 9) from the 2012 Paralympic Games and the men's 1-km TT (n = 19) and women's 500-m TT (n = 12) from the 2013 UCI World Track Championships from publically available video. Split times were expressed as actual time, factored time (for the para-cyclists) and as a percentage of total time. A two-way analysis of variance was used to investigate differences in split times between the different classifications and the able-bodied cyclists in the men's 1-km TT and between the para-cyclists and able-bodied cyclists in the women's 500-m TT. The importance of position at the first split was investigated with Kendall's Tau-b correlation. The first 125-m split time was the slowest for all cyclists, representing the acceleration phase from a standing start. C2 cyclists were slowest at this 125-m split, probably due to a combination of remaining seated in this acceleration phase and a high proportion of cyclists in this group being trans-femoral amputees. Not all cyclists used aero-bars, preferring to use drop, flat or bullhorn handlebars. Split times increased in the later stages of the race, demonstrating a positive pacing strategy. In the shorter women's 500-m TT, rank at the first split was more strongly correlated with final position than in the longer men's 1-km TT. In conclusion, a positive pacing strategy was adopted by the different para-cycling classes. PMID:26834643

Alpha-like resonances in nuclei

NASA Astrophysics Data System (ADS)

Baran, V. V.; Delion, D. S.

2018-03-01

We investigate normal dipole oscillations in a system of protons, neutrons and α-particles within the Brink approach. We introduce an effective mass of α-clusters in terms of the spectroscopic factor. The Pauli exclusion principle is taken into account by using the Wildermuth rule. The ratio between alpha and giant resonance energy weighted sum rule (EWSR) is investigated for N = Z and N> Z systems. In both cases we notice an unexpected decrease of this ratio versus the increase of the spectroscopic factor. Due to this fact the possibility to experimentally detect α-like oscillations is enhanced in nuclei above 100Sn. The occurrence of the pygmy mode in N> Z systems decreases the EWSR for the α-like oscillations.

A split-cavity design for the incorporation of a DC bias in a 3D microwave cavity

NASA Astrophysics Data System (ADS)

Cohen, Martijn A.; Yuan, Mingyun; de Jong, Bas W. A.; Beukers, Ewout; Bosman, Sal J.; Steele, Gary A.

2017-04-01

We report on a technique for applying a DC bias in a 3D microwave cavity. We achieve this by isolating the two halves of the cavity with a dielectric and directly using them as DC electrodes. As a proof of concept, we embed a variable capacitance diode in the cavity and tune the resonant frequency with a DC voltage, demonstrating the incorporation of a DC bias into the 3D cavity with no measurable change in its quality factor at room temperature. We also characterize the architecture at millikelvin temperatures and show that the split cavity design maintains a quality factor Qi ˜ 8.8 × 105, making it promising for future quantum applications.

Hadronic vacuum polarization in true muonium

NASA Astrophysics Data System (ADS)

Lamm, Henry

2017-01-01

In order to reduce the theoretical uncertainty in the prediction, the leading-order hadronic vacuum polarization contribution to the hyperfine splitting of true muonium is reevaluated in two ways. A more complex pionic form factor and better estimates of the perturbative QCD contributions are used to study the model dependence of the previous calculation. The second, more accurate method directly integrates the Drell ratio R (s ) to obtain C1 ,HVP=-0.04874 (9 ) . This corresponds to an energy shift in the hyperfine splitting (HFS) of Δ EHFS,HVP μ=-8202 (16 ) MHz and represents a factor-of-50 reduction in the theoretical uncertainty from hadronic sources. We also compute the contribution in positronium, which is too small at present to detect.

Charge tuning of nonresonant magnetoexciton phonon interactions in graphene.

PubMed

Rémi, Sebastian; Goldberg, Bennett B; Swan, Anna K

2014-02-07

Far from resonance, the coupling of the G-band phonon to magnetoexcitons in single layer graphene displays kinks and splittings versus filling factor that are well described by Pauli blocking and unblocking of inter- and intra-Landau level transitions. We explore the nonresonant electron-phonon coupling by high-magnetic field Raman scattering while electrostatic tuning of the carrier density controls the filling factor. We show qualitative and quantitative agreement between spectra and a linearized model of electron-phonon interactions in magnetic fields. The splitting is caused by dichroism of left- and right-handed circular polarized light due to lifting of the G-band phonon degeneracy, and the piecewise linear slopes are caused by the linear occupancy of sequential Landau levels versus ν.

Modelling nonlinearity in superconducting split ring resonator and its effects on metamaterial structures

NASA Astrophysics Data System (ADS)

Mazdouri, Behnam; Mohammad Hassan Javadzadeh, S.

2017-09-01

Superconducting materials are intrinsically nonlinear, because of nonlinear Meissner effect (NLME). Considering nonlinear behaviors, such as harmonic generation and intermodulation distortion (IMD) in superconducting structures, are very important. In this paper, we proposed distributed nonlinear circuit model for superconducting split ring resonators (SSRRs). This model can be analyzed by using Harmonic Balance method (HB) as a nonlinear solver. Thereafter, we considered a superconducting metamaterial filter which was based on split ring resonators and we calculated fundamental and third-order IMD signals. There are good agreement between nonlinear results from proposed model and measured ones. Additionally, based on the proposed nonlinear model and by using a novel method, we considered nonlinear effects on main parameters in the superconducting metamaterial structures such as phase constant (β) and attenuation factor (α).

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

Dernotte, Jeremie; Dec, John E.; Ji, Chunsheng

A detailed understanding of the various factors affecting the trends in gross-indicated thermal efficiency with changes in key operating parameters has been carried out, applied to a one-liter displacement single-cylinder boosted Low-Temperature Gasoline Combustion (LTGC) engine. This work systematically investigates how the supplied fuel energy splits into the following four energy pathways: gross-indicated thermal efficiency, combustion inefficiency, heat transfer and exhaust losses, and how this split changes with operating conditions. Additional analysis is performed to determine the influence of variations in the ratio of specific heat capacities (γ) and the effective expansion ratio, related to the combustion-phasing retard (CA50), onmore » the energy split. Heat transfer and exhaust losses are computed using multiple standard cycle analysis techniques. Furthermore, the various methods are evaluated in order to validate the trends.« less

Optical splitter design for telecommunication access networks with triple-play services

NASA Astrophysics Data System (ADS)

Agalliu, Rajdi; Burtscher, Catalina; Lucki, Michal; Seyringer, Dana

2018-01-01

In this paper, we present various designs of optical splitters for access networks, such as GPON and XG-PON by ITU-T with triple-play services (ie data, voice and video). The presented designs exhibit a step forward, compared to the solutions recommended by the ITU, in terms of performance in transmission systems using WDM. The quality of performance is represented by the bit error rate and the Q-factor. Besides the standard splitter design, we propose a new length-optimized splitter design with a smaller waveguide core, providing some reduction of non-uniformity of the power split between the output waveguides. The achieved splitting parameters are incorporated in the simulations of passive optical networks. For this purpose, the OptSim tool employing Time Domain Split Step method was used.

Generation and propagation of a sine-azimuthal wavefront modulated Gaussian beam

PubMed Central

Lao, Guanming; Zhang, Zhaohui; Luo, Meilan; Zhao, Daomu

2016-01-01

We introduce a method for modulating the Gaussian beam by means of sine-azimuthal wavefront and carry out the experimental generation. The analytical propagation formula of such a beam passing through a paraxial ABCD optical system is derived, by which the intensity properties of the sine-azimuthal wavefront modulated Gaussian (SWMG) beam are examined both theoretically and experimentally. Both of the experimental and theoretical results show that the SWMG beam goes through the process from beam splitting to a Gaussian-like profile, which is closely determined by the phase factor and the propagation distance. Appropriate phase factor and short distance are helpful for the splitting of beam. However, in the cases of large phase factor and focal plane, the intensity distributions tend to take a Gaussian form. Such unique features may be of importance in particle trapping and medical applications. PMID:27443798

Split liver transplantation: a reliable approach to expand donor pool.

PubMed

Yan, Ji-Qi; Becker, Thomas; Peng, Cheng-Hong; Li, Hong-Wei; Klempnauer, Juergen

2005-08-01

Orthotopic liver transplantation as a successful treatment of end-stage liver disease is hampered by a persistent lack of cadaveric organs. Split liver transplantation, which was first successfully performed by Medical School of Hannover in 1988, has become a mature surgical technique to expand the donor pool. Between 1993 and 1999, split liver transplantation activities have increased in Europe from 1.2% to 10.4% in all performed liver transplantations. Current data have strongly supported that the survival rate of patients after split liver transplantation is not significantly different from that of patients after whole-size orthotopic liver transplantation. The most important step of donor graft selection is surgeon's observation judged by the experience of individual transplant center. The paper aims to provide the guideline of donor selection, hepatic graft splitting, and recipient management as well. Medical School of Hannover has accumulated plentiful experience of split liver transplantation for more than 10 cases ever since 1998. Besides that, we also reviewed a variety of literatures from other famous European and American centers specialized in this field for many years. According to our experience combined with the view points of others, the donor should meet the following criteria as well: (1) age less than 50 years; (2) hemodynamics stable; (3) ICU less than 5 days; (4) Na less than 170 mmol/L or better if less than 150 mmol/L. In 1996 and 1997, the Hamburg group and the UCLA group separately introduced a breakthrough technique performing split liver transplantation in situ. Evidently, the in situ technique has been limited by prolonged time of donor organ procurement, coordination with other organ procurement teams, and even extra burden on donor hospital. Some groups, therefore, have restored the ex situ or bench splitting technique, and fortunately the transplant outcomes of the ex situ technique are equivalent to those of the in situ one. Recently some new techniques have been introduced to split the liver for two adult patients, including the split-cava technique. It is clear that the most important factor for determining the prognosis of the patient is the time of receiving liver transplantation, not the type of liver transplantation. We still need to pay close attention to the graft to recipient weight ratio (GRWR) and the UNOS classification or MELD score before the patient is subjected to split liver transplantation.

Factorization and fitting of molecular scattering information

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

Goldflam, R.; Kouri, D.J.; Green, S.

1977-12-15

The factorization of cross sections of various kinds resulting from the infinite order sudden approximation is considered in detail. Unlike the earlier study of Goldflam, Green, and Kouri, we base the present analysis on the factored IOS T-matrix rather than on the S-matrix. This enables us to obtain somewhat simpler expressions. For example, we show that the factored IOS approximation to the Arthurs--Dalgarno T-matrix involves products of dynamical coefficients T/sup L//sub l/ and Percival--Seaton coefficients f/sub L/(jlvertical-barj/sub 0/l/sub 0/vertical-barJ). It is shown that an optical theorem exists for the T/sub l//sup L/ dynamical coefficients of the T-matrix. The differential scatteringmore » amplitudes are shown to factor into dynamical coefficients q/sub L/(chi) times spectroscopic factors that are independent of the dynamics (potential). Then a generalized form of the Parker--Pack result for ..sigma../sub j/(dsigma/dR)(j/sub 0/..-->..j) is derived. It is also shown that the IOS approximation for (dsigma/dR)(j/sub 0/..-->..j) factors into sums of spectroscopic coefficients times the differential cross sections out of j/sub 0/=0. The IOS integral cross sections factor into spectroscopic coefficients times the integral cross sections out of j/sub 0/=0. The factored IOS general phenomenological cross sections are rederived using the T-matrix approach and are shown to equal sums of Percival--Seaton coefficients timesthe inelastic integral cross section out of initial rotor state j/sub 0/ = 0. This suggests that experimental measurements of line shapes and/or NMR spin--lattice relaxation can be used to directly give inelastic state-to-state degeneracy averaged integral cross sections whenever the IOS is a good approximation. Factored IOS expressions for viscosity and diffusion are derived and shown to potentially yield additional information beyond that contained in line shapes.« less

The Experimental Study of Nuclear Astrophysics Reaction Rate of 93Zr(n,γ)94Zr

NASA Astrophysics Data System (ADS)

Gan, L.; Li, Z. H.; Su, J.; Yan, S. Q.; Guo, B.; Du, X. C.; Wu, Z. D.; Zeng, S.; Jin, S. J.; Wang, Y. B.; Bai, X. X.; Zhang, W. J.; Sun, H. B.; Li, E. T.

The slow neutron capture (s-) process plays a very important role in the nucleosynthesis, which produces about half of the elements heavier than iron. 94Zr is mainly from 93Zr(n,γ)94Zr in the s-process, and the direct component of the 93Zr(n,γ)94Zr capture reaction can be derived from the neutron spectroscopic factor of 94Zr. As the existing neutron spectroscopic factors of 94Zr vary from each other up to 60%, a new work should be adopted to measure it exactly. In the present work, the angular distributions of 94Zr(13C,13C)94Zr, 94Zr(12C,12C)94Zr and 94Zr(12C,13C)93Zr were obtained using the highprecision Q3D magnetic spectrograph. In addition, distorted-wave Born approximation (DWBA) calculations of the transfer differential cross sections were performed. The calculated result displays a good agreement with the experiment data, and a value of 2.60±0.20 for the neutron spectroscopic factor of 94Zr was extracted, and the direct capture cross section versus neutron energy of 93Zr(n,γ)94Zr for the ground state of 94Zr was obtained too.

Dimensions of temperament: an analysis.

PubMed

Lorr, M; Stefic, E C

1976-01-01

The TDOT recast into a single stimulus format was administered to 150 college Ss. A factor analysis of the items followed by an analysis of item clusters that define each factor indicated the presence of 14 dimensions. Of the 10 bipolar scales of the TDOT, 3 were confirmed as independent dimensions, and 5 were confirmed in part or split into unipolar factors.

Experimental study of the 66Ni(d ,p ) 67Ni one-neutron transfer reaction

NASA Astrophysics Data System (ADS)

Diriken, J.; Patronis, N.; Andreyev, A.; Antalic, S.; Bildstein, V.; Blazhev, A.; Darby, I. G.; De Witte, H.; Eberth, J.; Elseviers, J.; Fedosseev, V. N.; Flavigny, F.; Fransen, Ch.; Georgiev, G.; Gernhauser, R.; Hess, H.; Huyse, M.; Jolie, J.; Kröll, Th.; Krücken, R.; Lutter, R.; Marsh, B. A.; Mertzimekis, T.; Muecher, D.; Orlandi, R.; Pakou, A.; Raabe, R.; Randisi, G.; Reiter, P.; Roger, T.; Seidlitz, M.; Seliverstov, M.; Sotty, C.; Tornqvist, H.; Van De Walle, J.; Van Duppen, P.; Voulot, D.; Warr, N.; Wenander, F.; Wimmer, K.

2015-05-01

The quasi-SU(3) sequence of the positive parity ν g9 /2,d5 /2,s1 /2 orbitals above the N =40 shell gap are assumed to induce strong quadrupole collectivity in the neutron-rich Fe (Z =26 ) and Cr (Z =24 ) isotopes below the nickel region. In this paper the position and strength of these single-particle orbitals are characterized in the neighborhood of 68Ni (Z =28 ,N =40 ) through the 66Ni(d ,p )67Ni one-neutron transfer reaction at 2.95 MeV/nucleon in inverse kinematics, performed at the REX-ISOLDE facility in CERN. A combination of the Miniball γ -array and T-REX particle-detection setup was used and a delayed coincidence technique was employed to investigate the 13.3-μ s isomer at 1007 keV in 67Ni. Excited states up to an excitation energy of 5.8 MeV have been populated. Feeding of the ν g9 /2 (1007 keV) and ν d5 /2 (2207 keV and 3277 keV) positive-parity neutron states and negative parity (ν p f ) states have been observed at low excitation energy. The extracted relative spectroscopic factors, based on a distorted-wave Born approximation analysis, show that the ν d5 /2 single-particle strength is mostly split over these two excited states. The results are also compared to the distribution of the proton single-particle strength in the 90Zr region (Z =40 ,N =50 ) .

Structural, (197)Au Mössbauer and solid state (31)P CP/MAS NMR studies on bis (cis-bis(diphenylphosphino)ethylene) gold(I) complexes [Au(dppey)(2)]X for X = PF(6), I.

PubMed

Healy, Peter C; Loughrey, Bradley T; Bowmaker, Graham A; Hanna, John V

2008-07-28

(197)Au Mössbauer spectra for the d(10) gold(i) phosphine complexes, [Au(dppey)(2)]X (X = PF(6), I; dppey = (cis-bis(diphenylphosphino)ethylene), and the single crystal X-ray structure and solid state (31)P CPMAS NMR spectrum of [Au(dppey)(2)]I are reported here. In [Au(dppey)(2)]I the AuP(4) coordination geometry is distorted from the approximately D(2) symmetry observed for the PF(6)(-) complex with Au-P bond lengths 2.380(2)-2.426(2) A and inter-ligand P-Au-P angles 110.63(5)-137.71(8) degrees . Quadrupole splitting parameters derived from the Mössbauer spectra are consistent with the increased distortion of the AuP(4) coordination sphere with values of 1.22 and 1.46 mm s(-1) for the PF(6)(-) and I(-) complexes respectively. In the solid state (31)P CP MAS NMR spectrum of [Au(dppey)(2)]I, signals for each of the four crystallographically independent phosphorus nuclei are observed, with the magnitude of the (197)Au quadrupole coupling being sufficiently large to produce a collapse of (1)J(Au-P) splitting from quartets to doublets. The results highlight the important role played by the counter anion in the determination of the structural and spectroscopic properties of these sterically crowded d(10) complexes.

Titanium alloy vs. stainless steel miniscrews: an in vivo split-mouth study.

PubMed

Bollero, P; Di Fazio, V; Pavoni, C; Cordaro, M; Cozza, P; Lione, R

2018-04-01

To compare in vivo Titanium Alloy (TiA) with Stainless Steel (SS) miniscrews Temporary Anchorage Devices (TADs) using removal torque and Scanning Electron Microscopic (SEM) analysis. 15 subjects (6 males and 9 females) who required maximum anchorage were recruited. For each patient, a TiA TAD and a SS TAD with same length and width were implanted following a randomized split-mouth study design. Retraction was carried out with nickel-titanium spring ligated directly from the anterior hooks of the archwire to the TADs to produce 90 to 100 g of force. When no further anchorage supplementation was needed, the TADs were removed. The removal torque values were registered with a digital screwdriver. After removal, the TADs were collected in a fixed solution and examined using SEM and X-ray microanalysis. All TADs remained intact, with a 100% success rate. There was no difference in removal torque between TiA and SS miniscrews (4.4 ± 1.3 N-cm and 5.1 ± 0.7 N-cm, respectively). All specimens' loss of gloss with signs of biological contaminations resulted in a dull implant surface. SEM photomicrographs of TiA miniscrews showed predominantly blood cells while SS miniscrews showed the precipitation of an amorphous layer with low cellular component. There was no difference in spectroscopic analysis between TiA and SS miniscrews. TiA and SS miniscrews had comparable removal torque values. SEM photomicrographs showed no evidence of osseointegration with both TADs having similar biological responses.

Probing hydrogen bond potentials via combination band spectroscopy: A near infrared study of the geared bend/van der Waals stretch intermolecular modes in (HF)2

NASA Astrophysics Data System (ADS)

Anderson, David T.; Davis, Scott; Nesbitt, David J.

1996-04-01

High resolution near infrared spectra of the two lowest frequency intermolecular modes in HF-stretch excited states of (HF)2 have been characterized using a slit-jet infrared spectrometer. In the spectral region surveyed, ten vibration-rotation-tunneling (VRT) bands are observed and assigned to the low frequency ``van der Waals stretch'' (ν4) and ``geared bend'' (ν5) intermolecular modes, in combination with either the hydrogen bond acceptor (ν1) or donor (ν2) high-frequency intramolecular HF stretches. Analysis of the rotationally resolved spectra provide intermolecular frequencies, rotational constants, tunneling splittings, and predissociation rates for the ν4/ν5 intermolecular excited states. The intermolecular vibrational frequencies in the combination states display a systematic dependence on intramolecular redshift that allows far-IR intermolecular frequencies to be reliably extrapolated from the near-IR data. Approximately tenfold increases in the hydrogen bond interconversion tunneling splittings with either ν4 or ν5 excitation indicate that both intermolecular modes correlate strongly to the tunneling coordinate. The high resolution VRT line shapes reveal mode specific predissociation broadening sensitive predominantly to intramolecular excitation, with weaker but significant additional effects due to low frequency intermolecular excitation. Analysis of the high resolution spectroscopic data for these ν4 and ν5 combination bands suggests strong state mixing between what has previously been considered van der Waals stretch and geared bend degrees of freedom.

Development of a split-flow system for high precision variable sample introduction in supercritical fluid chromatography.

PubMed

Sakai, Miho; Hayakawa, Yoshihiro; Funada, Yasuhiro; Ando, Takashi; Fukusaki, Eiichiro; Bamba, Takeshi

2017-09-15

In this study, we propose a novel variable sample injection system based on full-loop injection, named the split-flow sample introduction system, for application in supercritical fluid chromatography (SFC). In this system, the mobile phase is split by the differential pressure between two back pressure regulators (BPRs) after full-loop injection suitable for SFC, and this differential pressure determines the introduction rate. Nine compounds with a wide range of characteristics were introduced with high reproducibility and universality, confirming that a robust variable sample injection system was achieved. We also investigated the control factors of our proposed system. Sample introduction was controlled by the ratio between the column-side pressure drops in splitless and split flow, ΔP columnsideinsplitless and ΔP columnsideinsplit , respectively, where ΔP columnsideinsplitless is related to the mobile phase flow rate and composition and the column resistance. When all other conditions are kept constant, increasing the make-up flow induces an additional pressure drop on the column side of the system, which leads to a reduced column-side flow rate, and hence decreased the amount of sample injected, even when the net pressure drop on the column side remains the same. Thus, sample introduction could be highly controlled at low sample introduction rate, regardless of the introduction conditions. This feature is advantageous because, as a control factor, the solvent in the make-up pump is independent of the column-side pressure drop. Copyright © 2017. Published by Elsevier B.V.

Rapid and continuous magnetic separation in droplet microfluidic devices

DOE PAGES

Brouzes, Eric; Kruse, Travis; Kimmerling, Robert; ...

2014-12-03

Here, we present a droplet microfluidic method to extract molecules of interest from a droplet in a rapid and continuous fashion. We accomplish this by first marginalizing functionalized super-paramagnetic beads within the droplet using a magnetic field, and then splitting the droplet into one droplet containing the majority of magnetic beads and one droplet containing the minority fraction. We quantitatively analysed the factors which affect the efficiency of marginalization and droplet splitting to optimize the enrichment of magnetic beads. We first characterized the interplay between the droplet velocity and the strength of the magnetic field and its effect on marginalization.more » We found that marginalization is optimal at the midline of the magnet and that marginalization is a good predictor of bead enrichment through splitting at low to moderate droplet velocities. Finally, we focused our efforts on manipulating the splitting profile to improve the enrichment provided by asymmetric splitting. We designed asymmetric splitting forks that employ capillary effects to preferentially extract the bead-rich regions of the droplets. Our strategy represents a framework to optimize magnetic bead enrichment methods tailored to the requirements of specific droplet-based applications. We anticipate that our separation technology is well suited for applications in single-cell genomics and proteomics. In particular, our method could be used to separate mRNA bound to poly-dT functionalized magnetic microparticles from single cell lysates to prepare single-cell cDNA libraries.« less

Attitude Toward Ambiguity: Empirically Robust Factors in Self-Report Personality Scales.

PubMed

Lauriola, Marco; Foschi, Renato; Mosca, Oriana; Weller, Joshua

2016-06-01

Two studies were conducted to examine the factor structure of attitude toward ambiguity, a broad personality construct that refers to personal reactions to perceived ambiguous stimuli in a variety of context and situations. Using samples from two countries, Study 1 mapped the hierarchical structure of 133 items from seven tolerance-intolerance of ambiguity scales (N = 360, Italy; N = 306, United States). Three major factors-Discomfort with Ambiguity, Moral Absolutism/Splitting, and Need for Complexity and Novelty-were recovered in each country with high replicability coefficients across samples. In Study 2 (N = 405, Italian community sample; N =366, English native speakers sample), we carried out a confirmatory analysis on selected factor markers. A bifactor model had an acceptable fit for each sample and reached the construct-level invariance for general and group factors. Convergent validity with related traits was assessed in both studies. We conclude that attitude toward ambiguity can be best represented a multidimensional construct involving affective (Discomfort with Ambiguity), cognitive (Moral Absolutism/Splitting), and epistemic (Need for Complexity and Novelty) components. © The Author(s) 2015.

Factor structure and psychometric properties of a Spanish translation of the Body Appreciation Scale-2 (BAS-2).

PubMed

Swami, Viren; García, Antonio Alías; Barron, David

2017-09-01

We examined the psychometric properties of a Spanish translation of the Body Appreciation Scale-2 (BAS-2) in a community sample of 411 women and 389 men in Almería, Spain. Participants completed the 10-item BAS-2 along with measures of appearance evaluation, body areas satisfaction, self-esteem, life satisfaction, and self-reported body mass index (BMI). Exploratory factor analyses with one split-half subsample revealed that BAS-2 scores had a one-dimensional factor structure in women and men. Confirmatory factor analysis with a second split-half subsample showed the one-dimensional factor structure had acceptable fit and was invariant across sex. There were no significant sex differences in BAS-2 scores. BAS-2 scores were significantly and positively correlated with appearance evaluation, body areas satisfaction, self-esteem, and life satisfaction. Body appreciation was significantly and negatively correlated with BMI in men, but associations in women were only significant in the second subsample. Results suggest that the Spanish BAS-2 has adequate psychometric properties. Copyright © 2017 Elsevier Ltd. All rights reserved.

Experimental Study On The Effect Of Micro-Cracks On Brazilian Tensile Strength

NASA Astrophysics Data System (ADS)

Wang, Xiangyu

2015-12-01

For coal mine ground control issues, it is necessary to propose a failure criteria accounting for the transversely isotropic behaviors of rocks. Hence, it is very helpful to provide experimental data for the validation of the failure criteria. In this paper, the method for preparing transversely isotropic specimens and the scheme of the Brazilian tensile strength test are presented. Results obtained from Brazilian split tests under dry and water-saturated conditions reflect the effect of the development direction β of the structural plane, such as the bedding fissure, on the tensile strength, ultimate displacement, failure mode, and the whole splitting process. The results show that the tensile strength decreases linearly with increasing β. The softening coefficient of the tensile strength shows a sinusoidal function. The values of the slope and inflection point for the curve vary at the different stages of the Brazilian test. The failure mode of the rock specimen presented in this paper generally coincides with the standard Brazilian splitting failure mode. Based on the test results, the major influencing factors for the Brazilian splitting strength are analyzed and a mathematical model for solving the Brazilian splitting strength is proposed. The findings in this paper would greatly benefit the coal mine ground control studies when the surrounding rocks of interest show severe transversely isotropic behaviors.

Quantum oscillation signatures of spin-orbit interactions controlling the residual nodal bilayer-splitting in underdoped high-Tc cuprates

NASA Astrophysics Data System (ADS)

Harrison, Neil; Shekhter, Arkady

2015-03-01

We investigate the origin of the small residual nodal bilayer-splitting in the underdoped high-Tc superconductor YBa2Cu3O6+x using the results of recently published angle-resolved quantum oscillation data [Sebastian et al., Nature 511, 61 (2014)]. A crucial clue to the origin of the residual bilayer-splitting is found to be provided by the anomalously small Zeeman-splitting of some of the observed cyclotron orbits. We show that such an anomalously Zeeman-splitting (or small effective g-factor) for a subset of orbits can be explained by spin-orbit interactions, which become significant in the nodal regions as a result of the vanishing bilayer coupling. The primary effect of spin-orbit interactions is to cause quasiparticles traversing the nodal region of the Brillouin zone to undergo a spin flip. We suggest that the Rashba-like spin-orbit interactions, naturally present in bilayer systems, have the right symmetry and magnitude to give rise to a network of coupled orbits consistent with experimental observations in underdoped YBa2Cu3O6+x. This work is supported by the DOEm BES proposal LANLF100, while the magnet lab is supported by the NSF and Florida State.

Functional characterization of Kv11.1 (hERG) potassium channels split in the voltage-sensing domain.

PubMed

de la Peña, Pilar; Domínguez, Pedro; Barros, Francisco

2018-03-23

Voltage-dependent KCNH family potassium channel functionality can be reconstructed using non-covalently linked voltage-sensing domain (VSD) and pore modules (split channels). However, the necessity of a covalent continuity for channel function has not been evaluated at other points within the two functionally independent channel modules. We find here that by cutting Kv11.1 (hERG, KCNH2) channels at the different loops linking the transmembrane spans of the channel core, not only channels split at the S4-S5 linker level, but also those split at the intracellular S2-S3 and the extracellular S3-S4 loops, yield fully functional channel proteins. Our data indicate that albeit less markedly, channels split after residue 482 in the S2-S3 linker resemble the uncoupled gating phenotype of those split at the C-terminal end of the VSD S4 transmembrane segment. Channels split after residues 514 and 518 in the S3-S4 linker show gating characteristics similar to those of the continuous wild-type channel. However, breaking the covalent link at this level strongly accelerates the voltage-dependent accessibility of a membrane impermeable methanethiosulfonate reagent to an engineered cysteine at the N-terminal region of the S4 transmembrane helix. Thus, besides that of the S4-S5 linker, structural integrity of the intracellular S2-S3 linker seems to constitute an important factor for proper transduction of VSD rearrangements to opening and closing the cytoplasmic gate. Furthermore, our data suggest that the short and probably rigid characteristics of the extracellular S3-S4 linker are not an essential component of the Kv11.1 voltage sensing machinery.

Tantalum-based semiconductors for solar water splitting.

PubMed

Zhang, Peng; Zhang, Jijie; Gong, Jinlong

2014-07-07

Solar energy utilization is one of the most promising solutions for the energy crises. Among all the possible means to make use of solar energy, solar water splitting is remarkable since it can accomplish the conversion of solar energy into chemical energy. The produced hydrogen is clean and sustainable which could be used in various areas. For the past decades, numerous efforts have been put into this research area with many important achievements. Improving the overall efficiency and stability of semiconductor photocatalysts are the research focuses for the solar water splitting. Tantalum-based semiconductors, including tantalum oxide, tantalate and tantalum (oxy)nitride, are among the most important photocatalysts. Tantalum oxide has the band gap energy that is suitable for the overall solar water splitting. The more negative conduction band minimum of tantalum oxide provides photogenerated electrons with higher potential for the hydrogen generation reaction. Tantalates, with tunable compositions, show high activities owning to their layered perovskite structure. (Oxy)nitrides, especially TaON and Ta3N5, have small band gaps to respond to visible-light, whereas they can still realize overall solar water splitting with the proper positions of conduction band minimum and valence band maximum. This review describes recent progress regarding the improvement of photocatalytic activities of tantalum-based semiconductors. Basic concepts and principles of solar water splitting will be discussed in the introduction section, followed by the three main categories regarding to the different types of tantalum-based semiconductors. In each category, synthetic methodologies, influencing factors on the photocatalytic activities, strategies to enhance the efficiencies of photocatalysts and morphology control of tantalum-based materials will be discussed in detail. Future directions to further explore the research area of tantalum-based semiconductors for solar water splitting are also discussed.

Spectroscopic characterisation of Er-doped LuVO4 single crystals

NASA Astrophysics Data System (ADS)

Lisiecki, R.; Dominiak-Dzik, G.; Solarz, P.; Strzęp, A.; Ryba-Romanowski, W.; Łukasiewicz, T.

2010-12-01

The LuVO4:Er single crystals were grown by the Czochralski technique. The crystal-field split energy levels of Er3+ ion were derived experimentally employing absorption and emission spectra measured at T=10 K. The Judd-Ofelt phenomenological method was used to estimate intensity parameters, radiative lifetimes and branching ratios of luminescence. The excited state dynamics of the LuVO4:Er systems was investigated and experimental lifetimes of emitting levels were measured. The emission cross section of the 4I13/2→4I15/2 transition in the infrared was calculated by the Füchtbauer-Ladenburg method. The gain cross section, estimated for several inverse-population parameters, allowed us to evaluate a potential laser activity of the LuVO4:Er system at 1.6 μm. Also, the potential range of the optical pumping was assessed based on absorption spectra achieved at the room temperature. The optical losses related to the green up-converted emission, encountered under the 978 nm excitation between 300 and 670 K were indicated and discussed. Spectroscopic peculiarities of the Er3+-doped LuVO4 crystal were discussed in relation to optical properties of the YVO4:Er and GdVO4:Er crystals. Taking into account the high quantum efficiency of the 4I13/2 level, and satisfactory absorption and emission features, the LuVO4:Er crystal can be considered as a promising active material for laser operation near 1.6 μm.

Galaxy And Mass Assembly (GAMA): end of survey report and data release 2

NASA Astrophysics Data System (ADS)

Liske, J.; Baldry, I. K.; Driver, S. P.; Tuffs, R. J.; Alpaslan, M.; Andrae, E.; Brough, S.; Cluver, M. E.; Grootes, M. W.; Gunawardhana, M. L. P.; Kelvin, L. S.; Loveday, J.; Robotham, A. S. G.; Taylor, E. N.; Bamford, S. P.; Bland-Hawthorn, J.; Brown, M. J. I.; Drinkwater, M. J.; Hopkins, A. M.; Meyer, M. J.; Norberg, P.; Peacock, J. A.; Agius, N. K.; Andrews, S. K.; Bauer, A. E.; Ching, J. H. Y.; Colless, M.; Conselice, C. J.; Croom, S. M.; Davies, L. J. M.; De Propris, R.; Dunne, L.; Eardley, E. M.; Ellis, S.; Foster, C.; Frenk, C. S.; Häußler, B.; Holwerda, B. W.; Howlett, C.; Ibarra, H.; Jarvis, M. J.; Jones, D. H.; Kafle, P. R.; Lacey, C. G.; Lange, R.; Lara-López, M. A.; López-Sánchez, Á. R.; Maddox, S.; Madore, B. F.; McNaught-Roberts, T.; Moffett, A. J.; Nichol, R. C.; Owers, M. S.; Palamara, D.; Penny, S. J.; Phillipps, S.; Pimbblet, K. A.; Popescu, C. C.; Prescott, M.; Proctor, R.; Sadler, E. M.; Sansom, A. E.; Seibert, M.; Sharp, R.; Sutherland, W.; Vázquez-Mata, J. A.; van Kampen, E.; Wilkins, S. M.; Williams, R.; Wright, A. H.

2015-09-01

The Galaxy And Mass Assembly (GAMA) survey is one of the largest contemporary spectroscopic surveys of low redshift galaxies. Covering an area of ˜286 deg2 (split among five survey regions) down to a limiting magnitude of r < 19.8 mag, we have collected spectra and reliable redshifts for 238 000 objects using the AAOmega spectrograph on the Anglo-Australian Telescope. In addition, we have assembled imaging data from a number of independent surveys in order to generate photometry spanning the wavelength range 1 nm-1 m. Here, we report on the recently completed spectroscopic survey and present a series of diagnostics to assess its final state and the quality of the redshift data. We also describe a number of survey aspects and procedures, or updates thereof, including changes to the input catalogue, redshifting and re-redshifting, and the derivation of ultraviolet, optical and near-infrared photometry. Finally, we present the second public release of GAMA data. In this release, we provide input catalogue and targeting information, spectra, redshifts, ultraviolet, optical and near-infrared photometry, single-component Sérsic fits, stellar masses, Hα-derived star formation rates, environment information, and group properties for all galaxies with r < 19.0 mag in two of our survey regions, and for all galaxies with r < 19.4 mag in a third region (72 225 objects in total). The data base serving these data is available at http://www.gama-survey.org/.

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

Argondizzo, Adam; Cui, Xuefeng; Wang, Cong

We investigate the spectroscopy and photoinduced electron dynamics within the conduction band of reduced rutile TiO2(110) surface by multiphoton photoemission (mPP) spectroscopy with wavelength tunable ultrafast (!20 fs) laser pulse excitation. Tuning the mPP photon excitation energy between 2.9 and 4.6 eV reveals a nearly degenerate pair of new unoccupied states located at 2.73 ± 0.05 and 2.85 ± 0.05 eV above the Fermi level, which can be analyzed through the polarization and sample azimuthal orientation dependence of the mPP spectra. Based on the calculated electronic structure and optical transition moments, as well as related spectroscopic evidence, we assign thesemore » resonances to transitions between Ti 3d bands of nominally t2g and eg symmetry, which are split by crystal field. The initial states for the optical transition are the reduced Ti3+ states of t2g symmetry populated by formation oxygen vacancy defects, which exist within the band gap of TiO2. Furthermore,we studied the electron dynamics within the conduction band of TiO2 by three-dimensional time-resolved pump-probe interferometric mPP measurements. The spectroscopic and time-resolved studies reveal competition between 2PP and 3PP processes where the t2g-eg transitions in the 2PP process saturate, and are overtaken by the 3PP process initiated by the band-gap excitation from the valence band of TiO2.« less

A rational approach towards enhancing solar water splitting: a case study of Au-RGO/N-RGO-TiO2.

PubMed

Bharad, Pradnya A; Sivaranjani, Kumarsrinivasan; Gopinath, Chinnakonda S

2015-07-07

A rational approach was employed to enhance the solar water splitting (SWS) efficiency by systematically combining various important factors that helps to increase the photocatalytic activity. The rational approach includes four important parameters, namely, charge generation through simulated sunlight absorption, charge separation and diffusion, charge utilization through redox reaction, and the electronic integration of all of the above three factors. The complexity of the TiO2 based catalyst and its SWS activity was increased systematically by adding reduced graphene oxide (RGO) or N-doped RGO and/or nanogold. Au-N-RGO-TiO2 shows the maximum apparent quantum yield (AQY) of 2.46% with a H2 yield (525 μmol g(-1) h(-1)) from aqueous methanol, and overall water splitting activity (22 μmol g(-1) h(-1); AQY = 0.1%) without any sacrificial agent under one sun conditions. This exercise helps to understand the factors which help to enhance the SWS activity. Activity enhancement was observed when there is synergy among the components, especially the simulated sunlight absorption (or one sun conditions), charge separation/conduction and charge utilization. Electronic integration among the components provides the synergy for efficient solar light harvesting. In our opinion, the above synergy helps to increase the overall utilization of charge carriers towards the higher activity.

The NASA Ames PAH IR Spectroscopic Database: Computational Version 3.00 with Updated Content and the Introduction of Multiple Scaling Factors

NASA Astrophysics Data System (ADS)

Bauschlicher, Charles W., Jr.; Ricca, A.; Boersma, C.; Allamandola, L. J.

2018-02-01

Version 3.00 of the library of computed spectra in the NASA Ames PAH IR Spectroscopic Database (PAHdb) is described. Version 3.00 introduces the use of multiple scale factors, instead of the single scaling factor used previously, to align the theoretical harmonic frequencies with the experimental fundamentals. The use of multiple scale factors permits the use of a variety of basis sets; this allows new PAH species to be included in the database, such as those containing oxygen, and yields an improved treatment of strained species and those containing nitrogen. In addition, the computed spectra of 2439 new PAH species have been added. The impact of these changes on the analysis of an astronomical spectrum through database-fitting is considered and compared with a fit using Version 2.00 of the library of computed spectra. Finally, astronomical constraints are defined for the PAH spectral libraries in PAHdb.

The LPM effect in sequential bremsstrahlung 2: factorization

DOE PAGES

Arnold, Peter; Chang, Han-Chih; Iqbal, Shahin

2016-09-13

The splitting processes of bremsstrahlung and pair production in a medium are coherent over large distances in the very high energy limit, which leads to a suppression known as the Landau-Pomeranchuk-Migdal (LPM) effect. In this paper, we continue analysis of the case when the coherence lengths of two consecutive splitting processes overlap (which is important for understanding corrections to standard treatments of the LPM effect in QCD), avoiding soft-gluon approximations. In particular, this paper analyzes the subtle problem of how to precisely separate overlapping double splitting (e.g. overlapping double bremsstrahlung) from the case of consecutive, independent bremsstrahlung (which is themore » case that would be implemented in a Monte Carlo simulation based solely on single splitting rates). As an example of the method, we consider the rate of real double gluon bremsstrahlung from an initial gluon with various simplifying assumptions (thick media; q approximation; large N c; and neglect for the moment of processes involving 4-gluon ver-tices) and explicitly compute the correction Δ dΓ/dx dy due to overlapping formation times.« less

Dynamic splitting of Gaussian pencil beams in heterogeneity-correction algorithms for radiotherapy with heavy charged particles.

PubMed

Kanematsu, Nobuyuki; Komori, Masataka; Yonai, Shunsuke; Ishizaki, Azusa

2009-04-07

The pencil-beam algorithm is valid only when elementary Gaussian beams are small enough compared to the lateral heterogeneity of a medium, which is not always true in actual radiotherapy with protons and ions. This work addresses a solution for the problem. We found approximate self-similarity of Gaussian distributions, with which Gaussian beams can split into narrower and deflecting daughter beams when their sizes have overreached lateral heterogeneity in the beam-transport calculation. The effectiveness was assessed in a carbon-ion beam experiment in the presence of steep range compensation, where the splitting calculation reproduced a detour effect amounting to about 10% in dose or as large as the lateral particle disequilibrium effect. The efficiency was analyzed in calculations for carbon-ion and proton radiations with a heterogeneous phantom model, where the beam splitting increased computing times by factors of 4.7 and 3.2. The present method generally improves the accuracy of the pencil-beam algorithm without severe inefficiency. It will therefore be useful for treatment planning and potentially other demanding applications.

Thermalization dynamics of two correlated bosonic quantum wires after a split

NASA Astrophysics Data System (ADS)

Huber, Sebastian; Buchhold, Michael; Schmiedmayer, Jörg; Diehl, Sebastian

2018-04-01

Cherently splitting a one-dimensional Bose gas provides an attractive, experimentally established platform to investigate many-body quantum dynamics. At short enough times, the dynamics is dominated by the dephasing of single quasiparticles, and well described by the relaxation towards a generalized Gibbs ensemble corresponding to the free Luttinger theory. At later times on the other hand, the approach to a thermal Gibbs ensemble is expected for a generic, interacting quantum system. Here, we go one step beyond the quadratic Luttinger theory and include the leading phonon-phonon interactions. By applying kinetic theory and nonequilibrium Dyson-Schwinger equations, we analyze the full relaxation dynamics beyond dephasing and determine the asymptotic thermalization process in the two-wire system for a symmetric splitting protocol. The major observables are the different phonon occupation functions and the experimentally accessible coherence factor, as well as the phase correlations between the two wires. We demonstrate that, depending on the splitting protocol, the presence of phonon collisions can have significant influence on the asymptotic evolution of these observables, which makes the corresponding thermalization dynamics experimentally accessible.

Platelet-rich plasma-containing fragmin-protamine micro-nanoparticles promote epithelialization and angiogenesis in split-thickness skin graft donor sites.

PubMed

Takabayashi, Yuki; Ishihara, Masayuki; Sumi, Yuki; Takikawa, Makoto; Nakamura, Shingo; Kiyosawa, Tomoharu

2015-01-01

Platelet-rich plasma (PRP) contains multiple growth factors, and fragmin-protamine micro-nanoparticles (F-P M-NPs) significantly enhance and stabilize growth factors. The purpose of this study was to evaluate the effects of PRP-containing F-P M-NPs (PRP&F-P M-NPs) on wound repair in split-thickness skin graft (STSG-) donor sites (DS). A total of 56 inbred male rats were anesthetized and split-thickness skin graft donor site (STSG-DS) were created with a Padgett dermatome. PRP&F-P M-NPs, F-P M-NPs, PRP, and saline (control) were then intradermally injected evenly into the STSG-DSs. On 3, 4, 5, 7, and 10 d after creation of STSG-DS, skin sample sections were stained with hematoxylin and eosin to evaluate reepithelialization and angiogenesis. Treatment of STSG-DS with PRP&F-P M-NPs effectively promoted epithelialization and new vessel formation compared with those treated with PRP, F-P M-NPs, and control (saline). The intradermal injection of PRP&F-P M-NPs promotes epithelialization and angiogenesis in STSG-DS wounds. Copyright © 2015 Elsevier Inc. All rights reserved.

The Rhizobium sp. strain NGR234 systemically suppresses arbuscular mycorrhizal root colonization in a split-root system of barley (Hordeum vulgare).

PubMed

Khaosaad, Thanasan; Staehelin, Christian; Steinkellner, Siegrid; Hage-Ahmed, Karin; Ocampo, Juan Antonio; Garcia-Garrido, Jose Manuel; Vierheilig, Horst

2010-11-01

Nitrogen-fixing bacteria (rhizobia) form a nodule symbiosis with legumes, but also induce certain effects on non-host plants. Here, we used a split-root system of barley to examine whether inoculation with Rhizobium sp. strain NGR234 on one side of a split-root system systemically affects arbuscular mycorrhizal (AM) root colonization on the other side. Mutant strains of NGR234 deficient in Nod factor production (strain NGRΔnodABC), perception of flavonoids (strain NGRΔnodD1) and secretion of type 3 effector proteins (strain NGRΩrhcN) were included in this study. Inoculation resulted in a systemic reduction of AM root colonization with all tested strains. However, the suppressive effect of strain NGRΩrhcN was less pronounced. Moreover, levels of salicylic acid, an endogenous molecule related to plant defense, were increased in roots challenged with rhizobia. These data indicate that barley roots perceived NGR234 and that a systemic regulatory mechanism of AM root colonization was activated. The suppressive effect appears to be Nod factor independent, but enhanced by type 3 effector proteins of NGR234. Copyright © Physiologia Plantarum 2010.

Rolled-up TiO₂ optical microcavities for telecom and visible photonics.

PubMed

Madani, Abbas; Böttner, Stefan; Jorgensen, Matthew R; Schmidt, Oliver G

2014-01-15

The fabrication of high-quality-factor polycrystalline TiO₂ vertically rolled-up microcavities (VRUMs) by the controlled release of differentially strained TiO₂ bilayered nanomembranes, operating at both telecom and visible wavelengths, is reported. Optical characterization of these resonators reveals quality factors as high as 3.8×10³ in the telecom wavelength range (1520-1570 nm) by interfacing a TiO₂ VRUMs with a tapered optical fiber. In addition, a splitting in the fundamental modes is experimentally observed due to the broken rotational symmetry in our resonators. This mode splitting indicates coupling between clockwise and counterclockwise traveling whispering gallery modes of the VRUMs. Moreover, we show that our biocompatible rolled-up TiO₂ resonators function at several positions along the tube, making them promising candidates for multiplexing and biosensing applications.

Crack propagation of brittle rock under high geostress

NASA Astrophysics Data System (ADS)

Liu, Ning; Chu, Weijiang; Chen, Pingzhi

2018-03-01

Based on fracture mechanics and numerical methods, the characteristics and failure criterions of wall rock cracks including initiation, propagation, and coalescence are analyzed systematically under different conditions. In order to consider the interaction among cracks, adopt the sliding model of multi-cracks to simulate the splitting failure of rock in axial compress. The reinforcement of bolts and shotcrete supporting to rock mass can control the cracks propagation well. Adopt both theory analysis and simulation method to study the mechanism of controlling the propagation. The best fixed angle of bolts is calculated. Then use ansys to simulate the crack arrest function of bolt to crack. Analyze the influence of different factors on stress intensity factor. The method offer more scientific and rational criterion to evaluate the splitting failure of underground engineering under high geostress.

Factor Structure of the Psychopathic Personality Inventory (PPI): Findings from a Large Incarcerated Sample

PubMed Central

Neumann, Craig S.; Malterer, Melanie B.; Newman, Joseph P.

2010-01-01

Recent exploratory factor analysis (EFA) of the Psychopathic Personality Inventory (PPI; Lilienfeld, 1990) with a community sample suggested that the PPI subscales may be comprised of two higher-order factors (Benning et al., 2003). However, little research has examined the PPI structure in offenders. The current study attempted to replicate the Benning et al. two-factor solution using a large (N=1224) incarcerated male sample. Confirmatory factor analysis (CFA) of this model with the full sample resulted in poor model fit. Next, to identify a factor solution that would summarize the offender data, EFA was conducted using a split-half of the total sample, followed by an attempt to replicate the EFA solution via CFA with the other split-half sample. Using the recommendations of Prooijen and van der Kloot (2001) for recovering EFA solutions, model fit results provided some evidence that the EFA solution could be recovered via CFA. However, this model involved extensive cross-loadings of the subscales across three factors, suggesting item overlap across PPI subscales. In sum, the two-factor solution reported by Benning et al. (2003) was not a viable model for the current sample of offenders, and additional research is needed to elucidate the latent structure of the PPI. PMID:18557694

Triple system HD 201433 with a SPB star component seen by BRITE - Constellation: Pulsation, differential rotation, and angular momentum transfer

NASA Astrophysics Data System (ADS)

Kallinger, T.; Weiss, W. W.; Beck, P. G.; Pigulski, A.; Kuschnig, R.; Tkachenko, A.; Pakhomov, Y.; Ryabchikova, T.; Lüftinger, T.; Palle, , P. L.; Semenko, E.; Handler, G.; Koudelka, O.; Matthews, J. M.; Moffat, A. F. J.; Pablo, H.; Popowicz, A.; Rucinski, S.; Wade, G. A.; Zwintz, K.

2017-07-01

Context. Stellar rotation affects the transport of chemical elements and angular momentum and is therefore a key process during stellar evolution, which is still not fully understood. This is especially true for massive OB-type stars, which are important for the chemical enrichment of the Universe. It is therefore important to constrain the physical parameters and internal angular momentum distribution of massive OB-type stars to calibrate stellar structure and evolution models. Stellar internal rotation can be probed through asteroseismic studies of rotationally split non radial oscillations but such results are still quite rare, especially for stars more massive than the Sun. The slowly pulsating B9V star HD 201433 is known to be part of a single-lined spectroscopic triple system, with two low-mass companions orbiting with periods of about 3.3 and 154 days. Aims: Our goal is to measure the internal rotation profile of HD 201433 and investigate the tidal interaction with the close companion. Methods: We used probabilistic methods to analyse the BRITE - Constellation photometry and radial velocity measurements, to identify a representative stellar model, and to determine the internal rotation profile of the star. Results: Our results are based on photometric observations made by BRITE - Constellation and the Solar Mass Ejection Imager on board the Coriolis satellite, high-resolution spectroscopy, and more than 96 yr of radial velocity measurements. We identify a sequence of nine frequency doublets in the photometric time series, consistent with rotationally split dipole modes with a period spacing of about 5030 s. We establish that HD 201433 is in principle a solid-body rotator with a very slow rotation period of 297 ± 76 days. Tidal interaction with the inner companion has, however, significantly accelerated the spin of the surface layers by a factor of approximately one hundred. The angular momentum transfer onto the surface of HD 201433 is also reflected by the statistically significant decrease of the orbital period of about 0.9 s during the last 96 yr. Conclusions: Combining the asteroseismic inferences with the spectroscopic measurements and the orbital analysis of the inner binary system, we conclude that tidal interactions between the central SPB star and its inner companion have almost circularised the orbit. They have, however, not yet aligned all spins of the system and have just begun to synchronise rotation. Based on data collected by the BRITE - Constellation satellite mission, built, launched and operated thanks to support from the Austrian Aeronautics and Space Agency and the University of Vienna, the Canadian Space Agency (CSA), and the Foundation for Polish Science & Technology (FNiTP MNiSW) and National Science Centre (NCN), the Hermes spectrograph mounted on the 1.2 m Mercator Telescope at the Spanish Observatorio del Roque de los Muchachos of the Instituto de Astrofísica de Canarias, and the Solar Mass Ejection Imager, which is a joint project of the University of California San Diego, Boston College, the University of Birmingham (UK), and the Air Force Research Laboratory.

The effects of a split sleep-wake schedule on neurobehavioural performance and predictions of performance under conditions of forced desynchrony.

PubMed

Kosmadopoulos, Anastasi; Sargent, Charli; Darwent, David; Zhou, Xuan; Dawson, Drew; Roach, Gregory D

2014-12-01

Extended wakefulness, sleep loss, and circadian misalignment are factors associated with an increased accident risk in shiftwork. Splitting shifts into multiple shorter periods per day may mitigate these risks by alleviating prior wake. However, the effect of splitting the sleep-wake schedule on the homeostatic and circadian contributions to neurobehavioural performance and subjective assessments of one's ability to perform are not known. Twenty-nine male participants lived in a time isolation laboratory for 13 d, assigned to one of two 28-h forced desynchrony (FD) schedules. Depending on the assigned schedule, participants were provided the same total time in bed (TIB) each FD cycle, either consolidated into a single period (9.33 h TIB) or split into two equal halves (2 × 4.67 h TIB). Neurobehavioural performance was regularly assessed with a psychomotor vigilance task (PVT) and subjectively-assessed ability was measured with a prediction of performance on a visual analogue scale. Polysomnography was used to assess sleep, and core body temperature was recorded to assess circadian phase. On average, participants obtained the same amount of sleep in both schedules, but those in the split schedule obtained more slow wave sleep (SWS) on FD days. Mixed-effects ANOVAs indicated no overall difference between the standard and split schedules in neurobehavioural performance or predictions of performance. Main effects of circadian phase and prior wake were present for both schedules, such that performance and subjective ratings of ability were best around the circadian acrophase, worst around the nadir, and declined with increasing prior wake. There was a schedule by circadian phase interaction for all neurobehavioural performance metrics such that performance was better in the split schedule than the standard schedule around the nadir. There was no such interaction for predictions of performance. Performance during the standard schedule was significantly better than the split schedule at 2 h of prior wake, but declined at a steeper rate such that the schedules converged by 4.5-7 h of prior wake. Overall, the results indicate that when the total opportunity for sleep per day is satisfactory, a split sleep-wake schedule is not detrimental to sleep or performance. Indeed, though not reflected in subjective assessments of performance capacity, splitting the schedule may be of some benefit, given its reduction of neurobehavioural impairment at night and its association with increased SWS. Therefore, for some industries that require operations to be sustained around the clock, implementing a split work-rest schedule may be of assistance.

Roles of Bi, M and VO{sub 4} tetrahedron in photocatalytic properties of novel Bi{sub 0.5}M{sub 0.5}VO{sub 4} (M=La, Eu, Sm and Y) solid solutions for overall water splitting

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

Liu Hui; Research Center for Combustion and Environment Technology, Shanghai Jiao Tong University, shanghai 200240; Faculty of Engineering Sciences, Kyushu University, Fukuoka 816-8580

2012-02-15

Novel Bi{sub 0.5}M{sub 0.5}VO{sub 4} (BMV; M=La, Eu, Sm and Y) solid solutions were prepared and studied in this paper. All the samples were proved to produce H{sub 2} and O{sub 2} simultaneously from pure water under the irradiation of UV light. M-O bond lengths were proved to increase with M cations by refining cell parameters and atomic positions. Besides, band gaps, energy gaps and photocatalytic activities of BMV also changed with M cations. Both of M-O and V-O bond lengths were suggested to account for this phenomenon. Inactive A{sub 0.5}Y{sub 0.5}VO{sub 4} (A=La, Ce) for water splitting proved incorporationmore » of Bi rather than distortion of VO{sub 4} tetrahedron was a critical factor for improving efficiency of overall water splitting by facilitating the generation of electron and hole with lighter effective masses. Replacement of Bi by M cations not only gave indirect effect on band structure but also raised position of conduction band minimum to meet requirement of H{sub 2} production. - Graphical abstract: Novel Bi{sub 0.5}M{sub 0.5}VO{sub 4} (M=La, Eu, Sm and Y) solid solutions showed the high and stable photocatalytic activities for overall water splitting with their crystal radii of M elements. Highlights: Black-Right-Pointing-Pointer BMV solid solutions were novel highly efficient V-based photocatalysts for overall water splitting. Black-Right-Pointing-Pointer Photocatalytic activity of BMV solid solution related to the effective ionic radii of M cations. Black-Right-Pointing-Pointer Incorporation of Bi is one of key factors for the highly efficient activity of BMV solid solution. Black-Right-Pointing-Pointer Incorporation of Y is dispensable for H{sub 2} production.« less

TH-E-BRF-01: Exploiting Tumor Shrinkage in Split-Course Radiotherapy

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

Unkelbach, J; Craft, D; Hong, T

2014-06-15

Purpose: In split-course radiotherapy, a patient is treated in several stages separated by weeks or months. This regimen has been motivated by radiobiological considerations. However, using modern image-guidance, it also provides an approach to reduce normal tissue dose by exploiting tumor shrinkage. In this work, we consider the optimal design of split-course treatments, motivated by the clinical management of large liver tumors for which normal liver dose constraints prohibit the administration of an ablative radiation dose in a single treatment. Methods: We introduce a dynamic tumor model that incorporates three factors: radiation induced cell kill, tumor shrinkage, and tumor cellmore » repopulation. The design of splitcourse radiotherapy is formulated as a mathematical optimization problem in which the total dose to the liver is minimized, subject to delivering the prescribed dose to the tumor. Based on the model, we gain insight into the optimal administration of radiation over time, i.e. the optimal treatment gaps and dose levels. Results: We analyze treatments consisting of two stages in detail. The analysis confirms the intuition that the second stage should be delivered just before the tumor size reaches a minimum and repopulation overcompensates shrinking. Furthermore, it was found that, for a large range of model parameters, approximately one third of the dose should be delivered in the first stage. The projected benefit of split-course treatments in terms of liver sparing depends on model assumptions. However, the model predicts large liver dose reductions by more than a factor of two for plausible model parameters. Conclusion: The analysis of the tumor model suggests that substantial reduction in normal tissue dose can be achieved by exploiting tumor shrinkage via an optimal design of multi-stage treatments. This suggests taking a fresh look at split-course radiotherapy for selected disease sites where substantial tumor regression translates into reduced target volumes.« less

Factors determining electrostatic fields in molecular dynamics simulations of the Ras/effector interface.

PubMed

Ensign, Daniel L; Webb, Lauren J

2011-12-01

Using molecular dynamics simulations, we explore geometric and physical factors contributing to calculated electrostatic fields at the binding surface of the GTPase Ras with a spectroscopically labeled variant of a downstream effector, the Ras-binding domain of Ral guanine nucleotide dissociation stimulator (RalGDS). A related system (differing by mutation of one amino acid) has been studied in our group using vibrational Stark effect spectroscopy, a technique sensitive to electrostatic fields. Electrostatic fields were computed using the AMBER 2003 force field and averaged over snapshots from molecular dynamics simulation. We investigate geometric factors by exploring how the orientation of the spectroscopic probe changes on Ras-effector binding. In addition, we explore the physical origin of electrostatic fields at our spectroscopic probe by comparing contributions to the field from discrete components of the system, such as explicit solvent, residues on the Ras surface, and residues on the RalGDS surface. These models support our experimental hypothesis that vibrational Stark shifts are caused by Ras binding to its effector and not the structural rearrangements of the effector surface or probe reorientation on Ras-effector binding, for at least some of our experimental probes. These calculations provide physical insight into the origin, magnitude, and importance of electrostatic fields in protein-protein interactions and suggest new experiments to probe the field's role in protein docking. Copyright © 2011 Wiley-Liss, Inc.

Factors that Affected Functional Outcome After a Delayed Excision and Split-Thickness Skin Graft on the Dorsal Side of Burned Hands.

PubMed

Shichinohe, Ryuji; Yamamoto, Yuhei; Kawashima, Kunihiro; Kimura, Chu; Ono, Kentaro; Horiuchi, Katsumi; Yoshida, Tetsunori; Murao, Naoki; Hayashi, Toshihiko; Funayama, Emi; Oyama, Akihiko; Furukawa, Hiroshi

Early excision and skin grafting is the principle treatment for a burned hand although there are occasions when it cannot be done such as severe general condition, delayed consultation, and the lack of a definitive assessment of burn depth. This study analyzes the factors that affected function after a delayed excision and skin graft for hands with a deep dermal burn. This study retrospectively evaluated 43 burned hands that required a delayed excision and split-thickness skin graft on the dorsal side. Cases were required to only have split-thickness skin grafting from the dorsum of the hand and fingers distally to at least the proximal interphalangeal joint at least 8 days after the injury. The hands were divided into two functional categories: Functional category A, normal or nearly normal joint movements, and functional category B, abnormal joint movements. Demographic data were assessed statistically by a univariate analysis following a multiple regression analysis by a stepwise selection. A significant difference was observed between the groups in the number of days from grafting to complete wound healing of the graft site and with or without an escharotomy in the analysis. These parameters were statistically significant predictors of functional category B. The functional outcome of a burned hand after a delayed excision and split-thickness skin graft on the dorsal side became degraded depending on the number of days from grafting to complete wound healing. Cases that underwent an escharotomy also showed deterioration in function.

Zeeman splitting of 6.7 GHz methanol masers. On the uncertainty of magnetic field strength determinations

NASA Astrophysics Data System (ADS)

Vlemmings, W. H. T.; Torres, R. M.; Dodson, R.

2011-05-01

Context. To properly determine the role of magnetic fields during massive star formation, a statistically significant sample of field measurements probing different densities and regions around massive protostars needs to be established. However, relating Zeeman splitting measurements to magnetic field strengths needs a carefully determined splitting coefficient. Aims: Polarization observations of, in particular, the very abundant 6.7 GHz methanol maser, indicate that these masers appear to be good probes of the large scale magnetic field around massive protostars at number densities up to nH2 ≈ 109 cm-3. We thus investigate the Zeeman splitting of the 6.7 GHz methanol maser transition. Methods: We have observed of a sample of 46 bright northern hemisphere maser sources with the Effelsberg 100-m telescope and an additional 34 bright southern masers with the Parkes 64-m telescope in an attempt to measure their Zeeman splitting. We also revisit the previous calculation of the methanol Zeeman splitting coefficients and show that these were severely overestimated making the determination of magnetic field strengths highly uncertain. Results: In total 44 of the northern masers were detected and significant splitting between the right- and left-circular polarization spectra is determined in >75% of the sources with a flux density >20 Jy beam-1. Assuming the splitting is due to a magnetic field according to the regular Zeeman effect, the average detected Zeeman splitting corrected for field geometry is ~0.6 m s-1. Using an estimate of the 6.7 GHz A-type methanol maser Zeeman splitting coefficient based on old laboratory measurements of 25 GHz E-type methanol transitions this corresponds to a magnetic field of ~120 mG in the methanol maser region. This is significantly higher than expected using the typically assumed relation between magnetic field and density (B∝ n_H_20.47) and potentially indicates the extrapolation of the available laboratory measurements is invalid. The stability of the right- and left-circular calibration of the Parkes observations was insufficient to determine the Zeeman splitting of the Southern sample. Spectra are presented for all sources in both samples. Conclusions: There is no strong indication that the measured splitting between right- and left-circular polarization is due to non-Zeeman effects, although this cannot be ruled out until the Zeeman coefficient is properly determined. However, although the 6.7 GHz methanol masers are still excellent magnetic field morphology probes through linear polarization observations, previous derivations of magnetic fields strength turn out to be highly uncertain. A solution to this problem will require new laboratory measurements of the methanol Landé-factors. Table 2 and Figs. 5-7 are only available in electronic form at http://www.aanda.org

Circularly polarized zero-phonon transitions of vacancies in diamond at high magnetic fields

NASA Astrophysics Data System (ADS)

Braukmann, D.; Glaser, E. R.; Kennedy, T. A.; Bayer, M.; Debus, J.

2018-05-01

We study the circularly polarized photoluminescence of negatively charged (NV-) and neutral (NV0) nitrogen-vacancy ensembles and neutral vacancies (V0) in diamond crystals exposed to magnetic fields of up to 10 T. We determine the orbital and spin Zeeman splitting as well as the energetic ordering of their ground and first-excited states. The spin-triplet and -singlet states of the NV- are described by an orbital Zeeman splitting of about 9 μ eV /T , which corresponds to a positive orbital g -factor of gL=0.164 under application of the magnetic field along the (001) and (111) crystallographic directions, respectively. The zero-phonon line (ZPL) of the NV- singlet is defined as a transition from the 1E' states, which are split by gLμBB , to the 1A1 state. The energies of the zero-phonon triplet transitions show a quadratic dependence on intermediate magnetic field strengths, which we attribute to a mixing of excited states with nonzero orbital angular momentum. Moreover, we identify slightly different spin Zeeman splittings in the ground (gs) and excited (es) triplet states, which can be expressed by a deviation between their spin g -factors: gS ,es=gS ,gs+Δ g with values of Δ g =0.014 and 0.029 in the (001) and (111) geometries, respectively. The degree of circular polarization of the NV- ZPLs depends significantly on the temperature, which is explained by an efficient spin-orbit coupling of the excited states mediated through acoustic phonons. We further demonstrate that the sign of the circular polarization degree is switched under rotation of the diamond crystal. A weak Zeeman splitting similar to Δ g μBB measured for the NV- ZPLs is also obtained for the NV0 zero-phonon lines, from which we conclude that the ground state is composed of two optically active states with compensated orbital contributions and opposite spin-1/2 momentum projections. The zero-phonon lines of the V0 show Zeeman splittings and degrees of the circular polarization with opposite signs. The magnetophotoluminescence data indicate that the electron transition from the T12 states to the 1A ground state defines the zero-phonon emission at 1.674 eV, while the T12→1E transition is responsible for the zero-phonon line at 1.666 eV. The T12 (1E ) states are characterized by an orbital Zeeman splitting with gL=0.071 (0.128).

Mode-splitting for refractive index sensing in fluorescent whispering gallery mode resonators with broken symmetry

NASA Astrophysics Data System (ADS)

Kang, Yvonne Q.; François, Alexandre; Riesen, Nicolas; Monro, Tanya M.

2018-02-01

Whispering Gallery Mode (WGM) biosensors have been widely exploited over the past decade, owing to their unprecedented detection limits and label free capability. WGM based sensing mechanisms, such as resonance frequency shift, linewidth broadening, and splitting of the two counter-propagating WGMs, have been extensively researched and applied for bio-chemical sensing. However, the mode-splitting of the originally degenerate WGMs from different equatorial planes on a fluorescent microsphere has not been fully investigated. In this work, we break the symmetry of the surrounding environment outside the microsphere by partially embedding the sphere into a high-refractive-index medium (i.e. glue), to lift the degeneracy of the modes from different WGM planes. The split-modes from multiple planes of the fluorescent microsphere are indiscriminately collected. It is found that the effective quality factor Q of the WGMs increases non-conventionally as the Refractive Index (RI) of the probing liquid increases up to the point where it is equal to that of the glue. This presents a new methodology for quantifying changes in the probing environment based on the Q spoiling of the resonances as determined by the RI difference between the environment and that of the reference glue. Furthermore, we find that this sensing platform opens the door to simple self-referenced sensing techniques based on the analysis of the spectral positions of subsets of the split modes.

Using a Split-belt Treadmill to Evaluate Generalization of Human Locomotor Adaptation.

PubMed

Vasudevan, Erin V L; Hamzey, Rami J; Kirk, Eileen M

2017-08-23

Understanding the mechanisms underlying locomotor learning helps researchers and clinicians optimize gait retraining as part of motor rehabilitation. However, studying human locomotor learning can be challenging. During infancy and childhood, the neuromuscular system is quite immature, and it is unlikely that locomotor learning during early stages of development is governed by the same mechanisms as in adulthood. By the time humans reach maturity, they are so proficient at walking that it is difficult to come up with a sufficiently novel task to study de novo locomotor learning. The split-belt treadmill, which has two belts that can drive each leg at a different speed, enables the study of both short- (i.e., immediate) and long-term (i.e., over minutes-days; a form of motor learning) gait modifications in response to a novel change in the walking environment. Individuals can easily be screened for previous exposure to the split-belt treadmill, thus ensuring that all experimental participants have no (or equivalent) prior experience. This paper describes a typical split-belt treadmill adaptation protocol that incorporates testing methods to quantify locomotor learning and generalization of this learning to other walking contexts. A discussion of important considerations for designing split-belt treadmill experiments follows, including factors like treadmill belt speeds, rest breaks, and distractors. Additionally, potential but understudied confounding variables (e.g., arm movements, prior experience) are considered in the discussion.

Clinical evaluation of split-crest technique with ultrasonic bone surgery for narrow ridge expansion: status of soft and hard tissues and implant success.

PubMed

Anitua, Eduardo; Begoña, Leire; Orive, Gorka

2013-04-01

The aim of this study was to evaluate the split-crest technique with ultrasonic bone surgery for implant placement in patients with narrow ridges, focusing on the status of soft and hard tissues and on implant success rate, at least 6 months after implant loading. During September 2007 and November 2008, 15 patients received 37 implants (BTI implants) with split-crest surgical procedure using ultrasonic bone surgery. Plasma rich in growth factors (PRGF®) was applied during split crest procedure to promote tissue regeneration. Implant surfaces were humidified with PRGF to accelerate osseointegration. Patients were recalled for a final clinical evaluation at least 6 months after implant loading. Clinical assessment included the status of soft and hard tissues around implants, and implants' success rate. Thirty-seven implants in 15 patients were evaluated between July 2009 and January 2010. The status of soft tissues was very good, showing adequate plaque index, bleeding index, and probing depth values. Success rate of implants at the end of follow-up (between 11 and 28 months after insertion) was 100%. Bone ridge was measured and compared at final examination showing a mean ridge expansion of 3.35 mm (SD: 0.34). Split-crest with ultrasonic bone surgery can be considered an effective and safe procedure for narrow ridge expansion. © 2011 Wiley Periodicals, Inc.

A Decade of Shear-Wave Splitting Observations in Alaska

NASA Astrophysics Data System (ADS)

Bellesiles, A. K.; Christensen, D. H.; Abers, G. A.; Hansen, R. A.; Pavlis, G. L.; Song, X.

2010-12-01

Over the last decade four PASSCAL experiments have been conducted in different regions of Alaska. ARCTIC, BEAAR and MOOS form a north-south transect across the state, from the Arctic Ocean to Price Williams Sound, while the STEEP experiment is currently deployed to the east of that line in the St Elias Mountains of Southeastern Alaska. Shear-wave splitting observations from these networks in addition to several permanent stations of the Alaska Earthquake Information Center were determined in an attempt to understand mantle flow under Alaska in a variety of different geologic settings. Results show two dominant splitting patterns in Alaska, separated by the subducted Pacific Plate. North of the subducted Pacific Plate fast directions are parallel to the trench (along strike of the subducted Pacific Plate) indicating large scale mantle flow in the northeast-southwest direction with higher anisotropy (splitting times) within the mantle wedge. Within or below the Pacific Plate fast directions are normal to the trench in the direction of Pacific Plate convergence. In addition to these two prominent splitting patterns there are several regions that do not match either of these trends. These more complex regions which include the results from STEEP could be due to several factors including effects from the edge of the Pacific Plate. The increase of station coverage that Earthscope will bring to Alaska will aid in developing a more complete model for anisotropy and mantle flow in Alaska.

Volume holographic lens spectrum-splitting photovoltaic system for high energy yield with direct and diffuse solar illumination

NASA Astrophysics Data System (ADS)

Chrysler, Benjamin D.; Wu, Yuechen; Yu, Zhengshan; Kostuk, Raymond K.

2017-08-01

In this paper a prototype spectrum-splitting photovoltaic system based on volume holographic lenses (VHL) is designed, fabricated and tested. In spectrum-splitting systems, incident sunlight is divided in spectral bands for optimal conversion by a set of single-junction PV cells that are laterally separated. The VHL spectrumsplitting system in this paper has a form factor similar to conventional silicon PV modules but with higher efficiencies (>30%). Unlike many other spectrum-splitting systems that have been proposed in the past, the system in this work converts both direct and diffuse sunlight while using inexpensive 1-axis tracking systems. The VHL system uses holographic lenses that focus light at a transition wavelength to the boundary between two PV cells. Longer wavelength light is dispersed to the narrow bandgap cell and shorter wavelength light to the wide bandgap cell. A prototype system is designed with silicon and GaAs PV cells. The holographic lenses are fabricated in Covestro Bayfol HX photopolymer by `stitching' together lens segments through sequential masked exposures. The PV cells and holographic lenses were characterized and the data was used in a raytrace simulation and predicts an improvement in total power output of 15.2% compared to a non-spectrum-splitting reference. A laboratory measurement yielded an improvement in power output of 8.5%.

Chemical factor analysis of skin cancer FTIR-FEW spectroscopic data

NASA Astrophysics Data System (ADS)

Bruch, Reinhard F.; Sukuta, Sydney

2002-03-01

Chemical Factor Analysis (CFA) algorithms were applied to transform complex Fourier transform infrared fiberoptical evanescent wave (FTIR-FEW) normal and malignant skin tissue spectra into factor spaces for analysis and classification. The factor space approach classified melanoma beyond prior pathological classifications related to specific biochemical alterations to health states in cluster diagrams allowing diagnosis with more biochemical specificity, resolving biochemical component spectra and employing health state eigenvector angular configurations as disease state sensors. This study demonstrated a wealth of new information from in vivo FTIR-FEW spectral tissue data, without extensive a priori information or clinically invasive procedures. In particular, we employed a variety of methods used in CFA to select the rank of spectroscopic data sets of normal benign and cancerous skin tissue. We used the Malinowski indicator function (IND), significance level and F-Tests to rank our data matrices. Normal skin tissue, melanoma and benign tumors were modeled by four, two and seven principal abstract factors, respectively. We also showed that the spectrum of the first eigenvalue was equivalent to the mean spectrum. The graphical depiction of angular disparities between the first abstract factors can be adopted as a new way to characterize and diagnose melanoma cancer.

Metabolic networks in epilepsy by MR spectroscopic imaging.

PubMed

Pan, J W; Spencer, D D; Kuzniecky, R; Duckrow, R B; Hetherington, H; Spencer, S S

2012-12-01

The concept of an epileptic network has long been suggested from both animal and human studies of epilepsy. Based on the common observation that the MR spectroscopic imaging measure of NAA/Cr is sensitive to neuronal function and injury, we use this parameter to assess for the presence of a metabolic network in mesial temporal lobe epilepsy (MTLE) patients. A multivariate factor analysis is performed with controls and MTLE patients, using NAA/Cr measures from 12 loci: the bilateral hippocampi, thalami, basal ganglia, and insula. The factor analysis determines which and to what extent these loci are metabolically covarying. We extract two independent factors that explain the data's variability in control and MTLE patients. In controls, these factors characterize a 'thalamic' and 'dominant subcortical' function. The MTLE patients also exhibit a 'thalamic' factor, in addition to a second factor involving the ipsilateral insula and bilateral basal ganglia. These data suggest that MTLE patients demonstrate a metabolic network that involves the thalami, also seen in controls. The MTLE patients also display a second set of metabolically covarying regions that may be a manifestation of the epileptic network that characterizes limbic seizure propagation. © 2012 John Wiley & Sons A/S.

Investigations of Spectroscopic Factors and Sum Rules from the Single Neutron Transfer Reaction 111Cd(overrightarrow {{d}} ,p)112Cd

NASA Astrophysics Data System (ADS)

Jamieson, D. S.; Garrett, P. E.; Ball, G. C.; Demand, G. A.; Faestermann, T.; Finlay, P.; Green, K. L.; Hertenberger, R.; Krücken, R.; Leach, K. G.; Phillips, A. A.; Sumithrarachchi, C. S.; Triambak, S.; Wirth, H.-F.

2014-03-01

Cadmium isotopes have been presented for decades as excellent examples of vibrational nuclei, with low-lying levels interpreted as multi-phonon quadrupole, octupole, and mixed-symmetry states. A large amount of spectroscopic data has been obtained through various experimental studies of cadmiumisotopes. In the present work, the 111Cd(overrightarrow {{d}} ,p)112Cd reaction was used to investigate the single-particle structure of the 112Cd nucleus. A 22 MeV beam of polarized deuterons was obtained at the Maier-Leibnitz laboratory in Garching, Germany. The reaction ejectiles were momentum analyzed using a Q3D spectrograph, and 130 levels have been identified up to 4.2 MeV of excitation energy. Using DWBA analysis with optical model calculations, spin-parity assignments have been made for observed levels, and spectroscopic factors have been extracted from the experimental angular distributions of differential cross section and analyzing power. In this high energy resolution investigation, many additional levels have been observed compared with the previous (d,p) study using 8 MeV deuterons [1]. There were a total of 44 new levels observed, and the parity assignments of 34 levels were improved.

Chemistry-split techniques for viscous reactive blunt body flow computations

NASA Technical Reports Server (NTRS)

Li, C. P.

1987-01-01

The weak-coupling structure between the fluid and species equations has been exploited and resulted in three, closely related, time-iterative implicit techniques. While the primitive variables are solved in two separated groups and each by an Alternating Direction Implicit (ADI) factorization scheme, the rate-species Jacobian can be treated in either full or diagonal matrix form, or simply ignored. The latter two versions render the split technique to solving for species as scalar rather than vector variables. The solution is completed at the end of each iteration after determining temperature and pressure from the flow density, energy and species concentrations. Numerical experimentation has shown that the split scalar technique, using partial rate Jacobian, yields the best overall stability and consistency. Satisfactory viscous solutions were obtained for an ellipsoidal body of axis ratio 3:1 at Mach 35 and an angle of attack of 20 degrees.

Energy distribution analysis in boosted HCCI-like / LTGC engines – Understanding the trade-offs to maximize the thermal efficiency

DOE PAGES

Dernotte, Jeremie; Dec, John E.; Ji, Chunsheng

2015-04-14

A detailed understanding of the various factors affecting the trends in gross-indicated thermal efficiency with changes in key operating parameters has been carried out, applied to a one-liter displacement single-cylinder boosted Low-Temperature Gasoline Combustion (LTGC) engine. This work systematically investigates how the supplied fuel energy splits into the following four energy pathways: gross-indicated thermal efficiency, combustion inefficiency, heat transfer and exhaust losses, and how this split changes with operating conditions. Additional analysis is performed to determine the influence of variations in the ratio of specific heat capacities (γ) and the effective expansion ratio, related to the combustion-phasing retard (CA50), onmore » the energy split. Heat transfer and exhaust losses are computed using multiple standard cycle analysis techniques. Furthermore, the various methods are evaluated in order to validate the trends.« less

Advanced photonic filters based on cascaded Sagnac loop reflector resonators in silicon-on-insulator nanowires

NASA Astrophysics Data System (ADS)

Wu, Jiayang; Moein, Tania; Xu, Xingyuan; Moss, David J.

2018-04-01

We demonstrate advanced integrated photonic filters in silicon-on-insulator (SOI) nanowires implemented by cascaded Sagnac loop reflector (CSLR) resonators. We investigate mode splitting in these standing-wave (SW) resonators and demonstrate its use for engineering the spectral profile of on-chip photonic filters. By changing the reflectivity of the Sagnac loop reflectors (SLRs) and the phase shifts along the connecting waveguides, we tailor mode splitting in the CSLR resonators to achieve a wide range of filter shapes for diverse applications including enhanced light trapping, flat-top filtering, Q factor enhancement, and signal reshaping. We present the theoretical designs and compare the CSLR resonators with three, four, and eight SLRs fabricated in SOI. We achieve versatile filter shapes in the measured transmission spectra via diverse mode splitting that agree well with theory. This work confirms the effectiveness of using CSLR resonators as integrated multi-functional SW filters for flexible spectral engineering.

Repression of HNF1α-mediated transcription by amino-terminal enhancer of split (AES).

PubMed

Han, Eun Hee; Gorman, Amanda A; Singh, Puja; Chi, Young-In

HNF1α (Hepatocyte Nuclear Factor 1α) is one of the master regulators in pancreatic beta-cell development and function, and the mutations in Hnf1α are the most common monogenic causes of diabetes mellitus. As a member of the POU transcription factor family, HNF1α exerts its gene regulatory function through various molecular interactions; however, there is a paucity of knowledge in their functional complex formation. In this study, we identified the Groucho protein AES (Amino-terminal Enhancer of Split) as a HNF1α-specific physical binding partner and functional repressor of HNF1α-mediated transcription, which has a direct link to glucose-stimulated insulin secretion in beta-cells that is impaired in the HNF1α mutation-driven diabetes. Copyright © 2015 Elsevier Inc. All rights reserved.

Space Shuttle redesign status

NASA Technical Reports Server (NTRS)

Brand, Vance D.

1986-01-01

NASA has conducted an extensive redesign effort for the Space Shutle in the aftermath of the STS 51-L Challenger accident, encompassing not only Shuttle vehicle and booster design but also such system-wide factors as organizational structure, management procedures, flight safety, flight operations, sustainable flight rate, and maintenance safeguards. Attention is presently given to Solid Rocket Booster redesign features, the Shuttle Main Engine's redesigned high pressure fuel and oxidizer turbopumps, the Shuttle Orbiter's braking and rollout (landing gear) system, the entry control mode of the flight control system, a 'split-S' abort maneuver for the Orbiter, and crew escape capsule proposals.

Crystalline sulfur dioxide: Crystal field splittings, absolute band intensities and complex refractive indices derived from infrared spectra

NASA Technical Reports Server (NTRS)

Khanna, R. K.; Zhao, Guizhi

1986-01-01

The infrared absorption spectra of thin crystalline films of sulfur dioxide at 90 K are reported in the 2700 to 450/cm region. The observed multiplicity of the spectral features in the regions of fundamentals is attributed to factor group splittings of the modes in a biaxial crystal lattice and the naturally present minor S-34, S-36, and O-18 isotopic species. Complex refractive indices determined by an iterative Kramers-Kronig analysis of the extinction data, and absolute band strengths derived from them, are also reported in this region.

Spin-orbit configuration interaction calculation of the potential energy curves of iodine oxide

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

Roszak, S.; Krauss, M.; Alekseyev, A.B.

2000-04-06

An ab initio configuration interaction (CI) study including spin-orbit coupling is carried out for the ground and excited states of the IO radical by employing relativistic effective core potentials. The computed spectroscopic constants are in good agreement with available experimental data, with some tendency to underestimate the strength of bonding. The first excited state, a{sup 4}{Sigma}{sup {minus}}, which has not yet been observed experimentally, is predicted to be bound by 30.1 kJ/mol and to have a significantly larger equilibrium distance than the ground state. It is split by spin-orbit interaction into 1/2 and 3/2 components, with the 1/2 component beingmore » the lower one with a calculated spin-orbit splitting of 210 cm{sup {minus}1}. The most interesting state in the low-energy IO spectrum, A{sub 1}{sup 2}{Pi}{sub 3/2}, is shown to be predissociated due to interaction with a number of repulsive electronic states. Predissociation of the A{sup 1}, {nu}{prime} = 0, 1 vibrational levels is attributed to a fairly weak spin-orbit coupling with the {sup 2}{Delta}{sub 3/2} state, while rotationally dependent predissociation of the {nu}{prime} = 2 level is explained by the coupling with the 1/2(III) state having mainly {sup 2}{Sigma}{sup {minus}} character. Strong predissociation of the {nu}{prime} {ge} 4 levels is attributed to interaction with the higher-lying {Omega} = 3/2 states, with predominantly {sup 4}{Sigma}{sup +} and {sup 4}{Delta} origin.« less

Sub-Doppler infrared spectroscopy of CH2OH radical in a slit supersonic jet: Vibration-rotation-tunneling dynamics in the symmetric CH stretch manifold

PubMed Central

Schuder, Michael D.; Wang, Fang; Chang, Chih-Hsuan; Nesbitt, David J.

2017-01-01

The sub-Doppler CH-symmetric stretch (ν3) infrared absorption spectrum of a hydroxymethyl (CH2OH) radical is observed and analyzed with the radical formed in a slit-jet supersonic discharge expansion (Trot = 18 K) via Cl atom mediated H atom abstraction from methanol. The high sensitivity of the spectrometer and reduced spectral congestion associated with the cooled expansion enable first infrared spectroscopic observation of hydroxymethyl transitions from both ± symmetry tunneling states resulting from large amplitude COH torsional motion. Nuclear spin statistics due to exchange of the two methyl H-atoms aid in unambiguous rovibrational assignment of two A-type Ka = 0 ← 0 and Ka = 1 ← 1 bands out of each ± tunneling state, with additional spectral information obtained from spin-rotation splittings in P, Q, and R branch Ka = 1 ← 1 transitions that become resolved at low N. A high level ab initio potential surface (CCSD(T)-f12b/cc-pvnzf12 (n = 2,3)/CBS) is calculated in the large amplitude COH torsional and CH2 wag coordinates, which in the adiabatic approximation and with zero point correction predicts ground state tunneling splittings in good qualitative agreement with experiment. Of particular astrochemical interest, a combined fit of the present infrared ground state combination differences with recently reported millimeter-wave frequencies permits the determination of improved accuracy rotational constants for the ground vibrational state, which will facilitate ongoing millimeter/microwave searches for a hydroxymethyl radical in the interstellar medium. PMID:28527463

MIP models and hybrid algorithms for simultaneous job splitting and scheduling on unrelated parallel machines.

PubMed

Eroglu, Duygu Yilmaz; Ozmutlu, H Cenk

2014-01-01

We developed mixed integer programming (MIP) models and hybrid genetic-local search algorithms for the scheduling problem of unrelated parallel machines with job sequence and machine-dependent setup times and with job splitting property. The first contribution of this paper is to introduce novel algorithms which make splitting and scheduling simultaneously with variable number of subjobs. We proposed simple chromosome structure which is constituted by random key numbers in hybrid genetic-local search algorithm (GAspLA). Random key numbers are used frequently in genetic algorithms, but it creates additional difficulty when hybrid factors in local search are implemented. We developed algorithms that satisfy the adaptation of results of local search into the genetic algorithms with minimum relocation operation of genes' random key numbers. This is the second contribution of the paper. The third contribution of this paper is three developed new MIP models which are making splitting and scheduling simultaneously. The fourth contribution of this paper is implementation of the GAspLAMIP. This implementation let us verify the optimality of GAspLA for the studied combinations. The proposed methods are tested on a set of problems taken from the literature and the results validate the effectiveness of the proposed algorithms.

Fundamental metallurgical aspects of axial splitting in zircaloy cladding

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

Chung, H. M.

Fundamental metallurgical aspects of axial splitting in irradiated Zircaloy cladding have been investigated by microstructural characterization and analytical modeling, with emphasis on application of the results to understand high-burnup fuel failure under RIA situations. Optical microscopy, SEM, and TEM were conducted on BWR and PWR fuel cladding tubes that were irradiated to fluence levels of 3.3 x 10{sup 21} n cm{sup {minus}2} to 5.9 x 10{sup 21} n cm{sup {minus}2} (E > 1 MeV) and tested in hot cell at 292--325 C in Ar. The morphology, distribution, and habit planes of macroscopic and microscopic hydrides in as-irradiated and posttest claddingmore » were determined by stereo-TEM. The type and magnitude of the residual stress produced in association with oxide-layer growth and dense hydride precipitation, and several synergistic factors that strongly influence axial-splitting behavior were analyzed. The results of the microstructural characterization and stress analyses were then correlated with axial-splitting behavior of high-burnup PWR cladding reported for simulated-RIA conditions. The effects of key test procedures and their implications for the interpretation of RIA test results are discussed.« less

Split exponential track length estimator for Monte-Carlo simulations of small-animal radiation therapy

NASA Astrophysics Data System (ADS)

Smekens, F.; Létang, J. M.; Noblet, C.; Chiavassa, S.; Delpon, G.; Freud, N.; Rit, S.; Sarrut, D.

2014-12-01

We propose the split exponential track length estimator (seTLE), a new kerma-based method combining the exponential variant of the TLE and a splitting strategy to speed up Monte Carlo (MC) dose computation for low energy photon beams. The splitting strategy is applied to both the primary and the secondary emitted photons, triggered by either the MC events generator for primaries or the photon interactions generator for secondaries. Split photons are replaced by virtual particles for fast dose calculation using the exponential TLE. Virtual particles are propagated by ray-tracing in voxelized volumes and by conventional MC navigation elsewhere. Hence, the contribution of volumes such as collimators, treatment couch and holding devices can be taken into account in the dose calculation. We evaluated and analysed the seTLE method for two realistic small animal radiotherapy treatment plans. The effect of the kerma approximation, i.e. the complete deactivation of electron transport, was investigated. The efficiency of seTLE against splitting multiplicities was also studied. A benchmark with analog MC and TLE was carried out in terms of dose convergence and efficiency. The results showed that the deactivation of electrons impacts the dose at the water/bone interface in high dose regions. The maximum and mean dose differences normalized to the dose at the isocenter were, respectively of 14% and 2% . Optimal splitting multiplicities were found to be around 300. In all situations, discrepancies in integral dose were below 0.5% and 99.8% of the voxels fulfilled a 1%/0.3 mm gamma index criterion. Efficiency gains of seTLE varied from 3.2 × 105 to 7.7 × 105 compared to analog MC and from 13 to 15 compared to conventional TLE. In conclusion, seTLE provides results similar to the TLE while increasing the efficiency by a factor between 13 and 15, which makes it particularly well-suited to typical small animal radiation therapy applications.

Theoretical study on the low-lying excited states of the phosphorus monoiodide (PI) including the spin-orbit coupling

NASA Astrophysics Data System (ADS)

Zhang, Xiaomei; Liu, Xiaoting; Liang, Guiying; Li, Rui; Xu, Haifeng; Yan, Bing

2016-01-01

The potential energy curves (PECs) of the 22 Λ-S states of the phosphorus monoiodide (PI) molecule have been calculated at the level of MRCI+Q method with correlation-consistent quadruple-ζ quality basis set. The spectroscopic constants of the bound states are determined, which well reproduce the available measurements. The metastable a1Δ state has been reported for the first time, which lies between the X3Σ- and b1Σ+ states and have much deeper well than the ground state. The R-dependent spin-orbit (SO) matrix elements are calculated with the full-electron Breit-Pauli operator. Based on the SO matrix elements, the perturbations that the 23Π state may suffer from are analyzed in detail. The SOC effect makes the original Λ-S states split into 51 Ω states. In the zero-field splitting of the ground state X3Σ-, the spin-spin coupling contribution (2.23 cm-1) is found to be much smaller compared to the spin-orbit coupling contribution (50 cm-1). The avoided crossings between the Ω states lead to much shallower potential wells and the change of dissociation relationships of the states. The Ω-state wavefunctions are analyzed depending on their Λ-S compositions, showing the strong interactions among several quasidegenerate Λ-S states of the same total SO symmetry. The transition properties including electric dipole (E1), magnetic dipole (M1), and electric quadrupole (E2) transition moments (TMs), the Franck-Condon factors, the transition probabilities and the radiative lifetimes are computed for the transitions between Ω components of a1Δ and b1Σ+ states and ground state. The transition probabilities induced by the E1, E2, and M1 transitions are evaluated. The E2 makes little effect on transition probabilities. In contrast, the E1 transition makes the main contribution to the transition probability and the M1 transition also brings the influence that cannot be neglected. Finally, the radiative lifetimes are determined with the transition moments including E1 and M1. The lifetime of transition (2)0+-X10+ is evaluated at the level of millisecond, much smaller than that of the transition (2)0+-X21.

Precision Laser Spectroscopic Measurement of Helium -4(1S2S S(3) to 1S2P P(3)) Lamb Shift and Fine Structure

NASA Astrophysics Data System (ADS)

Dixson, Ronald Gene

This thesis is a presentation of the results of a precise measurement of the absolute wavelength and fine structure splitting of the 1s2s ^3S to 1s2p ^3P transition of the ^4He atom. The experiment described in this thesis is the first one in which laser spectroscopy has been done on the 2 ^3S to 2^3 P transition in a metastable atomic beam. The energy interval between the 2^3S and the 2^3P state is precisely determined by comparison of the absolute wavelength of the transition with our standard laser (an iodine stabilized He-Ne laser with an accuracy of 1.6 parts in 10^{10 }) in a Fabry-Perot interferometer. The experimental Lamb shift of the transition is determined by subtracting from the measured frequency the precisely known non-quantum electrodynamic contributions to the theoretical value of the interval. From our measurements of the absolute wavelength, the following weighted (2J + 1) average for the 2^3S to 2^3P transition frequency and experimental Lamb Shift are obtained:eqalign{& rm f_{2S{-}2P} = 276 736 495.59 (5) rm MHz.cr& {bf L}[ 2^3Sto2 ^3P] = 5311.26 (5) rm MHz.cr} Our value for the Lamb Shift is in agreement with the best previous measurement but a factor of 60 more precise. It is also two orders of magnitude more precise than the present theoretical calculation, presenting quite a challenge to theorists. Nevertheless, this work is very timely since it is anticipated (DRA94) (MOR94) that the theory will reach this level in the near future. The measured fine structure splittings of the 2^3P level are: eqalign{rm 2^3P_0to rm2^3P_2 &: 31908.135 (3) rm MHzcrrm 2^3P_1to rm2^3P_2 &: sk{5}2291.173 (3) rm MHz}These results are more precise than previous microwave measurements and in significant disagreement with them, a situation which is especially timely and interesting since new theoretical calculations of these fine structure intervals (DRA94) at this level of precision are nearing completion.

Strain Measurements within Fibreboard. Part III: Analyzing the Process Zone at the Crack Tip of Medium Density Fiberboards (MDF) Double Cantilever I-Beam Specimens

PubMed Central

Rathke, Jörn; Müller, Ulrich; Konnerth, Johannes; Sinn, Gerhard

2012-01-01

This paper is the third part of a study dealing with the mechanical and fracture mechanical characterization of Medium Density Fiberboards (MDF). In the first part, an analysis of internal bond strength testing was performed and in the second part MDF was analyzed by means of the wedge splitting experiment; this part deals with the double cantilever I beam test, which is designed for measuring the fracture energy as well as stress intensity factor in Mode I. For a comparison of isotropic and orthotropic material behavior, finite element modeling was performed. In addition to the calculation of fracture energy the stress intensity factor was analyzed by means of finite elements simulation and calculation. In order to analyze strain deformations and the process zone, electronic speckle pattern interferometry measurements were performed. The results revealed an elongated process zone and lower results for KIC if compared to the wedge splitting experiment. The Gf numbers are higher compared to the wedge splitting results and can be explained by the thicker process zone formed during the crack propagation. The process zone width on its part is influenced by the stiff reinforcements and yields a similar crack surface as with the internal bond test.

[Testing reliability and validity of reduced substitutes for leadership scales(rd-SLS)].

PubMed

Kim, Jeong-Hee

2005-10-01

This paper was conducted to test the reliability and validity of rd-SLS, developed by Podsakoff, et al. (1993) which measured 'substitutes for leadership'. The subjects were 345 nurses in 5 general hospitals. Cronbach's and the Guttman split-half coefficient were used to test the reliability of rd-SLS. Factor analysis, and the correlations of the rv-SLS and SLS with rd-SLS were used for convergent and discriminant validity. Cronbach's data was 0.76 and the Guttman split-half coefficient was 0.52. Twelve factors evolved by factor analysis, which explained 70.4% of the total variance. This result was similar to previous study results. However, 'Indifference toward organizational rewards'-related items were classified two factors. It was not clear t hat the rd-SLS consisted of 13 concepts(factors). The correlations of the rv-SLS and SLS with the rd-SLS were 0.93 and 0.87 respectively. The rd-SLS showed a moderate degree of validity and reliability. Thus, it is recommended to use the rd-SLS in general nursing organizations for screening for leadership substitutes. In addition, it is necessary to clarify the concept of organizational rewards. In a further study, the factor structure of the rd-SLS may be considered.

How specific Raman spectroscopic models are: a comparative study between different cancers

NASA Astrophysics Data System (ADS)

Singh, S. P.; Kumar, K. Kalyan; Chowdary, M. V. P.; Maheedhar, K.; Krishna, C. Murali

2010-02-01

Optical spectroscopic methods are being contemplated as adjunct/ alternative to existing 'Gold standard' of cancer diagnosis, histopathological examination. Several groups are actively pursuing diagnostic applications of Ramanspectroscopy in cancers. We have developed Raman spectroscopic models for diagnosis of breast, oral, stomach, colon and larynx cancers. So far, specificity and applicability of spectral- models has been limited to particular tissue origin. In this study we have evaluated explicitly of spectroscopic-models by analyzing spectra from already developed spectralmodels representing normal and malignant tissues of breast (46), cervix (52), colon (25), larynx (53), and oral (47). Spectral data was analyzed by Principal Component Analysis (PCA) using scores of factor, Mahalanobis distance and Spectral residuals as discriminating parameters. Multiparametric limit test approach was also explored. The preliminary unsupervised PCA of pooled data indicates that normal tissue types were always exclusive from their malignant counterparts. But when we consider tissue of different origin, large overlap among clusters was found. Supervised analysis by Mahalanobis distance and spectral residuals gave similar results. The 'limit test' approach where classification is based on match / mis-match of the given spectrum against all the available spectra has revealed that spectral models are very exclusive and specific. For example breast normal spectral model show matches only with breast normal spectra and mismatch to rest of the spectra. Same pattern was seen for most of spectral models. Therefore, results of the study indicate the exclusiveness and efficacy of Raman spectroscopic-models. Prospectively, these findings might open new application of Raman spectroscopic models in identifying a tumor as primary or metastatic.

Factor Structure of the Revised TOEIC[R] Test: A Multiple-Sample Analysis

ERIC Educational Resources Information Center

In'nami, Yo; Koizumi, Rie

2012-01-01

This study examined the factor structure of the listening and reading sections of the revised Test of English for International Communication (TOEIC[R]) test. The data from the TOEIC IP (institutional program) test taken by 569 English learners were randomly split into two samples (n = 285 vs. 284). Four models (higher-order, correlated,…

Testing the Feasibility of Developmental Asset Measures on College Students to Guide Health Promotion Efforts

ERIC Educational Resources Information Center

Zullig, Keith J.; Ward, Rose Marie; King, Keith A.; Patton, Jon M.; Murray, Karen A.

2009-01-01

The purpose of this investigation was to assess the reliability and validity of eight developmental asset measures among a stratified, random sample (N = 540) of college students to guide health promotion efforts. The sample was randomly split to produce exploratory and confirmatory samples for factor analysis using principal axis factoring and…

Loblolly pine growth response to mid-rotational treatments in an Eastern Texas plantation

Treesearch

Mohammad M. Bataineh; Amanda L. Bataineh; Brian P. Oswald; Kenneth W. Farrish; Hans M. Williams

2006-01-01

The effects of mid-rotational treatments (herbicide, prescribed burn, combination of herbicide and burn, and fertilization) on growth of loblolly pine were evaluated. Five replicates were established in a split-plot experimental design with fertilizer treatments as the whole-plot factor and competition control treatments as the sub-plot factor. Growth response was...

A photometric study of globular clusters observed by the APOGEE survey

NASA Astrophysics Data System (ADS)

Mészáros, Szabolcs; García-Hernández, D. A.; Cassisi, Santi; Monelli, Matteo; Szigeti, László; Dell'Agli, Flavia; Derekas, Alíz; Masseron, Thomas; Shetrone, Matthew; Stetson, Peter; Zamora, Olga

2018-04-01

In this paper, we describe the photometric and spectroscopic properties of multiple populations in seven northern globular clusters. In this study, we employ precise ground-based photometry from the private collection of Stetson, space photometry from the Hubble Space Telescope (HST), literature abundances of Na and O, and Apache Point Observatory Galactic Evolution Experiment (APOGEE) survey abundances for Mg, Al, C, and N. Multiple populations are identified by their position in the CU, B, I -Vpseudo colour-magnitude diagram (pseudo-CMD) and confirmed with their chemical composition determined using abundances. We confirm the expectation from previous studies that the red giant branches (RGBs) in all seven clusters are split and the different branches have different chemical compositions. The Mg-Al anticorrelations were well explored by the APOGEE and Gaia-ESO surveys for most globular clusters, some clusters showing bimodal distributions, while others continuous distributions. Even though the structure (i.e. bimodal versus continuous) of Mg-Al can greatly vary, the Al-rich and Al-poor populations do not seem to have very different photometric properties, agreeing with theoretical calculations. There is no one-to-one correspondence between the Mg-Al anticorrelation shape (bimodal versus continuous) and the structure of the RGB seen in the HST pseudo-CMDs, with the HST photometric information usually implying more complex formation/evolution histories than the spectroscopic ones. We report on finding two second-generation horizontal branch (HB) stars in M5, and five second-generation asymptotic giant branch (AGB) stars in M92, which is the most metal-poor cluster to date in which second-generation AGB stars have been observed.

Interactions of C+(2PJ) with rare gas atoms: incipient chemical interactions, potentials and transport coefficients

NASA Astrophysics Data System (ADS)

Tuttle, William D.; Thorington, Rebecca L.; Viehland, Larry A.; Breckenridge, W. H.; Wright, Timothy G.

2018-03-01

Accurate interatomic potentials were calculated for the interaction of a singly charged carbon cation, C+, with a single rare gas atom, RG (RG = Ne-Xe). The RCCSD(T) method and basis sets of quadruple-ζ and quintuple-ζ quality were employed; each interaction energy was counterpoise corrected and extrapolated to the basis set limit. The lowest C+(2P) electronic term of the carbon cation was considered, and the interatomic potentials calculated for the diatomic terms that arise from these: 2Π and 2Σ+. Additionally, the interatomic potentials for the respective spin-orbit levels were calculated, and the effect on the spectroscopic parameters was examined. In doing this, anomalously large spin-orbit splittings for RG = Ar-Xe were found, and this was investigated using multi-reference configuration interaction calculations. The latter indicated a small amount of RG → C+ electron transfer and this was used to rationalize the observations. This is taken as evidence of an incipient chemical interaction, which was also examined via contour plots, Birge-Sponer plots and various population analyses across the C+-RG series (RG = He-Xe), with the latter showing unexpected results. Trends in several spectroscopic parameters were examined as a function of the increasing atomic number of the RG atom. Finally, each set of RCCSD(T) potentials was employed, including spin-orbit coupling to calculate the transport coefficients for C+ in RG, and the results were compared with the limited available data. This article is part of the theme issue `Modern theoretical chemistry'.

The [O III] Profiles of Infrared-selected Active Galactic Nuclei: More Powerful Outflows in the Obscured Population

NASA Astrophysics Data System (ADS)

DiPompeo, M. A.; Hickox, R. C.; Carroll, C. M.; Runnoe, J. C.; Mullaney, J. R.; Fischer, T. C.

2018-03-01

We explore the kinematics of ionized gas via the [O III] λ5007 emission lines in active galactic nuclei (AGNs) selected on the basis of their mid-infrared (IR) emission, and split into obscured and unobscured populations based on their optical‑IR colors. After correcting for differences in redshift distributions, we provide composite spectra of spectroscopically and photometrically defined obscured/Type 2 and unobscured/Type 1 AGNs from 3500 to 7000 Å. The IR-selected obscured sources contain a mixture of narrow-lined Type 2 AGNs and intermediate sources that have broad Hα emission and significantly narrower Hβ. Using both [O III] luminosities and AGN luminosities derived from optical‑IR spectral energy distribution fitting, we find evidence for enhanced large-scale obscuration in the obscured sources. In matched bins of luminosity we find that the obscured population typically has broader, more blueshifted [O III] emission than in the unobscured sample, suggestive of more powerful AGN-driven outflows. This trend is not seen in spectroscopically classified samples, and is unlikely to be entirely explained by orientation effects. In addition, outflow velocities increase from small to moderate AGN E(B ‑ V) values, before flattening out (as traced by FWHM) and even decreasing (as traced by blueshift). While difficult to fully interpret in a single physical model, due to both the averaging over populations and the spatially averaged spectra, these results agree with previous findings that simple geometric unification models are insufficient for the IR-selected AGN population, and may fit into an evolutionary model for obscured and unobscured AGNs.

Spectroscopic Properties of B2O3-PbO-Nd2O3 Glasses

NASA Astrophysics Data System (ADS)

Simon, V.; Ardelean, I.; Milea, I.; Peteanu, M.; Simon, S.

Samples belonging to xNd2O3(100-x) [2B2O3·PbO] glass system, with 0≤ x≤ 40 mol%, are investigated by IR and UV-VIS spectroscopies in order to obtain evidence for the influence of Nd2O3 on the local order from 2B2O3·PbO glass matrix. Besides the IR absorption bands characteristic to lead and boron arrangements, typical absorption lines of Nd3+ ions around 4000 cm-1 and 6000 cm-1 are recorded. The 6000 cm-1 band appears only for the samples with x≥25 mol% Nd2O3. The split of some UV-VIS absorption bands arising from transitions of neodymium ions in doublet lines as well as the shift of the absorption bands as the Nd2O3 content increases denote the influence of the lead-borate matrix on the radiative transitions of the lanthanide ion.

Analysis of the A ∼ - X ∼ bands of the ethynyl radical near 1.48 μ m and re-evaluation of X ∼ state energies

NASA Astrophysics Data System (ADS)

Le, A. T.; Gross, Eisen C.; Hall, Gregory E.; Sears, Trevor J.

2018-07-01

We report the observation and analysis of spectra in part of the near-infrared spectrum of C2H, originating in rotational levels in the ground and lowest two excited bending vibrational levels of the ground X ˜ 2Σ+ state. In the analysis, we have combined present and previously reported high resolution spectroscopic data for the lower levels involved in the transitions to determine significantly improved molecular constants to describe the fine and hyperfine split rotational levels of the radical in the zero point, v2 = 1 and the 2Σ+ component of v2 = 2 . Two of the upper state vibronic levels involved had not been observed previously. The data and analysis indicate the electronic wavefunction character changes with bending vibrational excitation in the ground state and provide avenues for future measurements of reactivity of the radical as a function of vibrational excitation.

Study of the impact of resonant magnetic perturbation fields on gross tungsten erosion using DiMES samples in DIII-D

NASA Astrophysics Data System (ADS)

Hinson, E. T.; Schmitz, O.; Frerichs, H.; Abrams, T.; Briesemeister, A.; Rudakov, D. L.; Unterberg, E. A.; Wampler, W. R.; Watkins, J. G.; Wang, H. Q.

2017-12-01

An experiment was conducted in DIII-D to compare gross tungsten (W) erosion on samples exposed to outer strike point (OSP) sweeps in L-mode plasmas for three conditions. These included two phases of resonant magnetic perturbations (RMPs), and a set with no perturbations. Upon RMP application, lobe structures indicative of strike point splitting of the OSP were evident in divertor camera data and on Langmuir probes. Gross W erosion flux, {{{Γ }}}{{W}}, inferred spectroscopically using the S/XB method applied to the 400.9 nm W-I line, was generally in the range {{{Γ }}}{{W}}/{{{Γ }}}{{D}+,\\perp }=2× {10}-4 referenced to incident deuterium ion flux {{{Γ }}}{{D}+,\\perp }, and was increased in the RMP cases by no more than 30% of the level observed in unperturbed discharges. A large reduction in gross erosion (50%) was observed in the private flux region at the W sample for one specific toroidal phase of the RMP field.

Electronic structure of the alkyne-bridged dicobalt hexacarbonyl complex Co(2) micro-C(2)H(2) (CO)(6): evidence for singlet diradical character and implications for metal-metal bonding.

PubMed

Platts, James A; Evans, Gareth J S; Coogan, Michael P; Overgaard, Jacob

2007-08-06

A series of ab initio calculations are presented on the alkyne-bridged dicobalt hexacarbonyl cluster Co2 micro-C2H2 (CO)6, indicating that this compound has substantial multireference character, which we interpret as evidence of singlet diradical behavior. As a result, standard theoretical methods such as restricted Hartree-Fock (RHF) or Kohn-Sham (RKS) density functional theory cannot properly describe this compound. We have therefore used complete active space (CAS) methods to explore the bonding in and spectroscopic properties of Co2 micro-C2H2 (CO)6. CAS methods identify significant population of a Co-Co antibonding orbital, along with Co-pi* back-bonding, and a relatively large singlet-triplet energy splitting. Analysis of the electron density and related quantities, such as energy densities and atomic overlaps, indicates a small but significant amount of covalent bonding between cobalt centers.

A structural route to tuning the orbital structure of nickelates

NASA Astrophysics Data System (ADS)

Kumah, Divine; Disa, Ankit; Malashevich, Andrei; Chen, Hanghui; Ismail-Beigi, Sohrab; Walker, Fred; Ahn, Charles

2014-03-01

The rare-earth nickelates display a range of interesting magnetic and electronic phenomena arising from the strong coupling of the atomic-scale structural properties of these systems to the charge and orbital degrees of freedom. We report on modifying the orbital polarization in nickelate based heterostructures, motivated by the goal of emulating high-Tc cuprate behavior in the nickelates. Using a combination of synchrotron diffraction structural and spectroscopic characterization and first principles theory, we show how the design of a structure that splits the relative electronic occupation of Ni d x2-y2 and Ni d 3z2-r2 orbitals, is achieved in three-component heterostructures. These structures are comprised of LaTiO3/LaNiO3/LaAlO3 and are grown using molecular beam epitaxy. The key features of the theoretically proposed structure, including an internal polar field, a electron transfer from Ti to Ni, and a orbital polarization of the Ni-eg states, are experimentally studied.

Structural and spectroscopic characterization of various isotopologues of 2-hydroxyacetonitrile using highly correlated ab initio methods

NASA Astrophysics Data System (ADS)

Dalbouha, Samira; Domínguez-Gómez, Rosa M.; Senent, Maria Luisa

2017-06-01

Various isotopologues of 2-hydroxyacetonitrile (OHCH2CN), a detectable astrophysical molecule, are characterized using explicitly correlated coupled cluster theory (CCSD(T)-F12/AVTZ-F12). Rovibrational parameters and far infrared transitions are computed to help the interpretation of the rotational spectra and radioastronomical observations. OHCH2CN displays non-rigid properties. The OH internal rotation intertransforms two conformers, gauche and trans, whose energy separation reaches 1.41 kcal/mol. The process is restricted by energy barriers of V t = 645 cm-1 and V g → g = 425 cm-1. Isotopic effects on the rotational constants and on the torsional energy levels are evaluated for isotopic varieties containing the most abundant cosmological isotopes (13C, 18C, 15N and D). Effects are relevant for ODCH2CN where the ground vibrational state splits in two components separated by 0.51 cm-1. This gap has been evaluated to be 3.20 cm-1 for the main isotopologue.

Extraordinary attributes of 2-dimensional MoS2 nanosheets

NASA Astrophysics Data System (ADS)

Rao, C. N. R.; Maitra, Urmimala; Waghmare, Umesh V.

2014-08-01

The discovery of the amazing properties of graphene has stimulated exploration of single- and few-layer structures of layered inorganic materials. Of all the inorganic 2D nanosheet structures, those of MoS2 have attracted great attention because of their novel properties such as the presence of a direct bandgap, good field-effect transistor characteristics, large spin-orbit splitting, intense photoluminescence, catalytic properties, magnetism, superconductivity, ferroelectricity and several other properties with potential applications in electronics, optoelectronics, energy devices and spintronics. MoS2 nanosheets have been used in lithium batteries, supercapacitors and to generate hydrogen. Highlights of the impressive properties of MoS2 nanosheets, along with their structural and spectroscopic features are presented in this Letter. MoS2 typifies the family of metal dichalcogenides such as MoSe2 and WS2 and there is much to be done on nanosheets of these materials. Linus Pauling would have been pleased to see how molybdenite whose structure he studied in 1923 has become so important today.

The millimeter wave spectrum of methyl cyanate: a laboratory study and astronomical search in space^.

PubMed

Kolesniková, L; Alonso, J L; Bermúdez, C; Alonso, E R; Tercero, B; Cernicharo, J; Guillemin, J-C

2016-07-01

The recent discovery of methyl isocyanate (CH 3 NCO) in Sgr B2(N) and Orion KL makes methyl cyanate (CH 3 OCN) a potential molecule in the interstellar medium. The aim of this work is to fulfill the first requirement for its unequivocal identification in space, i.e. the availability of transition frequencies with high accuracy. The room-temperature rotational spectrum of methyl cyanate was recorded in the millimeter wave domain from 130 to 350 GHz. All rotational transitions revealed A - E splitting owing to methyl internal rotation and were globally analyzed using the ERHAM program. The data set for the ground torsional state of methyl cyanate exceeds 700 transitions within J″ = 10 - 35 and [Formula: see text] and newly derived spectroscopic constants reproduce the spectrum close to the experimental uncertainty. Spectral features of methyl cyanate were then searched for in Orion KL, Sgr B2(N), B1-b, and TMC-1 molecular clouds. Upper limits to the column density of methyl cyanate are provided.

Fourier transform microwave spectroscopy of Ac-Ser-NH2: the role of side chain interactions in peptide folding.

PubMed

Cabezas, Carlos; Robben, Martinus A T; Rijs, Anouk M; Peña, Isabel; Alonso, J L

2015-08-21

Serine capped dipeptide N-acetyl-l-serinamide (Ac-Ser-NH2) has been investigated using Fourier transform microwave spectroscopic techniques combined with laser ablation sources. Spectral signatures originating from one dominant species have been detected in the supersonic expansion. Rotational and nuclear quadrupole coupling constants of the two (14)N nuclei have been used in the characterization of a C/γ-turn structure, which is stabilized by a CO∙∙∙HN intramolecular hydrogen bond closing a seven-membered ring. Two extra hydrogen bonds involving the polar side chain (-CH2OH) further stabilize the structure. The non-observation of C5 species, attributed to the presence of the polar side chain, is in contrast with the previous gas phase observation of the related dipeptides containing glycine or alanine residues. The A-E splitting pattern arising from the internal rotation of the methyl group has been analyzed and the internal rotation barrier has been determined.

Effect of temperature on the complexation of NpO 2 + with benzoic acid: Spectrophotometric and calorimetric studies

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

Yang, Yanqiu; Zhang, Zhicheng; Liu, Guokui

The equilibrium constants of the 1:1 NpO2+/benzoate complex were determined by spectrophotometric titrations at variable temperatures (T = 283 to 343 K) and the ionic strength of 1.05 mol · kg-1. The enthalpy of complexation at T = 298 K was determined by microcalorimetric titrations. Similar to other monocarboxylates, benzoate forms a weak complex with NpO2+ and the complexation is strengthened as the temperature is increased. The complexation is endothermic and is entropy-driven. The enhancement of the complexation at elevated temperatures is primarily attributed to the increasingly larger entropy gain when the water molecules are released from the highly-ordered solvationmore » spheres of NpO2+ and benzoate to the bulk solvent where the degree of disorder is higher at higher temperatures. The spectroscopic features of the Np(V)/benzoate system, including the effect of temperature on the absorption bands, are discussed in terms of ligand field splitting and a thermal expansion mechanism.« less

Ultrafast dynamics of an unoccupied surface resonance state in B i2T e2Se

NASA Astrophysics Data System (ADS)

Munisa, Nurmamat; Krasovskii, E. E.; Ishida, Y.; Sumida, K.; Chen, Jiahua; Yoshikawa, T.; Chulkov, E. V.; Kokh, K. A.; Tereshchenko, O. E.; Shin, S.; Kimura, Akio

2018-03-01

Electronic structure and electron dynamics in the ternary topological insulator B i2T e2Se are studied with time- and angle-resolved photoemission spectroscopy using optical pumping. An unoccupied surface resonance split off from the bulk conduction band previously indirectly observed in scanning tunneling measurements is spectroscopically identified. Furthermore, an unoccupied topological surface state (TSS) is found, which is serendipitously located at about 1.5 eV above the occupied TSS, thereby facilitating direct optical transitions between the two surface states at ℏ ω =1.5 eV in an n -type topological insulator. An appreciable nonequilibrium population of the bottom of the bulk conduction band is observed for longer than 15 ps after the pump pulse. This leads to a long recovery time of the lower TSS, which is constantly populated by the electrons coming from the bulk conduction band. Our results demonstrate B i2T e2Se to be an ideal platform for designing future optoelectronic devices based on topological insulators.

Spectroscopic ellipsometry and band structure of Si{sub 1{minus}y}C{sub y} alloys grown pseudomorphically on Si (001)

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

Zollner, S.; Herzinger, C.M.; Woollam, J.A.

1995-10-01

The authors have measured the dielectric functions of three Si{sub 1{minus}y}C{sub y} alloys layers (y {le} 1.4%) grown pseudomorphically on Si (001) substrates using molecular beam epitaxy at low temperatures. From the numerical derivatives of the measured spectra, they determine the critical point energies E{sub 0}{prime} and E{sub 1} as a function of y (y {le} 1.4%) using a comparison with analytical line shapes and analyze these energies in terms of the expected shifts and splittings due to negative hydrostatic pressure, shear stress, and alloying. Their data agree well with the calculated shifts for E{sub 1}, but the E{sub 0}{prime}more » energies are lower than expected. They discuss their results in comparison with recent tight-binding molecular dynamics simulations by Demkov and Sankey predicting a total breakdown of the virtual-crystal approximation for such alloys.« less

Analysis of the $$\\tilde{A}$$ - $$\\tilde{X}$$ bands of the Ethynyl Radical near 1.48 μ-m and Re-evaluation of ~X State Energies

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

Le, A T.; Gross, Eisen C.; Hall, Gregory E.

Here, we report the observation and analysis of spectra in part of the near-infrared spectrum of C 2H, originating in rotational levels in the ground and lowest two excited bending vibrational levels of the groundmore » $$\\tilde{X}$$ 2Σ+ state. In the analysis, we have combined present and previously reported high resolution spectroscopic data for the lower levels involved in the transitions to determine significantly improved molecular constants to describe the fine and hyperfine split rotational levels of the radical in the zero point, v 2 = 1 and the 2Σ+ component of v 2 = 2. Two of the upper state vibronic levels involved had not been observed previously. The data and analysis indicate the electronic wavefunction character changes with bending vibrational excitation in the ground state and provide avenues for future measurements of reactivity of the radical as a function of vibrational excitation.« less

Molecular formation in the stagnation region of colliding laser-produced plasmas

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

Al-Shboul, K. F.; Hassan, S. M.; Harilal, S. S.

2016-10-27

The laser-produced colliding plasmas have numerous attractive applications and stagnation layer formed during collisions between plasmas is a useful system for understanding particle collisions and molecular formation in a controlled way. In this article, we explore carbon dimer formation and its evolutionary paths in a stagnation layer formed during the interaction of two laser-produced plasmas. Colliding laser produced plasmas are generated by splitting a laser beam into two sub-beams and then focus them into either a single flat (laterally colliding plasmas) or a V-shaped graphite targets (orthogonally colliding plasmas). The C2 formation in the stagnation region of both colliding plasmamore » schemes is investigated using optical spectroscopic means and compared with emission features from single seed plasma. Our results show that the collisions among the plasmas followed by the stagnation layer formation lead to rapid cooling causing enhanced carbon dimer formation. In addition, plasma electron temperature, density and C2 molecular temperature were measured for the stagnation zone and compared with seed plasma.« less

Frequency-agile dual-comb spectroscopy

NASA Astrophysics Data System (ADS)

Millot, Guy; Pitois, Stéphane; Yan, Ming; Hovhannisyan, Tatevik; Bendahmane, Abdelkrim; Hänsch, Theodor W.; Picqué, Nathalie

2016-01-01

Spectroscopic gas sensing and its applications to, for example, trace detection or chemical kinetics, require ever more demanding measurement times, acquisition rates, sensitivities, precisions and broad tuning ranges. Here, we propose a new approach to near-infrared molecular spectroscopy, utilizing advanced concepts of optical telecommunications and supercontinuum photonics. We generate, without mode-locked lasers, two frequency combs of slightly different repetition frequencies and moderate, but rapidly tunable, spectral span. The output of a frequency-agile continuous-wave laser is split and sent into two electro-optic intensity modulators. Flat-top low-noise frequency combs are produced by wave-breaking in a nonlinear optical fibre of normal dispersion. With a dual-comb spectrometer, we record Doppler-limited spectra spanning 60 GHz within 13 μs and an 80 kHz refresh rate, at a tuning speed of 10 nm s-1. The sensitivity for weak absorption is enhanced by a long gas-filled hollow-core fibre. New opportunities for real-time diagnostics may be opened up, even outside the laboratory.

Efficient Light-Driven Water Oxidation Catalysis by Dinuclear Ruthenium Complexes.

PubMed

Berardi, Serena; Francàs, Laia; Neudeck, Sven; Maji, Somnath; Benet-Buchholz, Jordi; Meyer, Franc; Llobet, Antoni

2015-11-01

Mastering the light-induced four-electron oxidation of water to molecular oxygen is a key step towards the achievement of overall water splitting to produce alternative solar fuels. In this work, we report two rugged molecular pyrazolate-based diruthenium complexes that efficiently catalyze visible-light-driven water oxidation. These complexes were fully characterized both in the solid state (by X-ray diffraction analysis) and in solution (spectroscopically and electrochemically). Benchmark performances for homogeneous oxygen production have been obtained for both catalysts in the presence of a photosensitizer and a sacrificial electron acceptor at pH 7, and a turnover frequency of up to 11.1 s(-1) and a turnover number of 5300 were obtained after three successive catalytic runs. Under the same experimental conditions with the same setup, the pyrazolate-based diruthenium complexes outperform other well-known water oxidation catalysts owing to both electrochemical and mechanistic aspects. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Photonic confinement in laterally structured metal-organic microcavities

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

Mischok, Andreas, E-mail: andreas.mischok@iapp.de; Brückner, Robert; Sudzius, Markas

2014-08-04

We investigate the formation of optical modes in organic microcavities with an incorporated perforated silver layer. The metal leads to a formation of Tamm-plasmon-polaritons and thus separates the sample into metal-free or metal-containing areas, supporting different resonances. This mode splitting is exploited to confine photons in elliptic holes and triangular cuts, forming distinctive standing wave patterns showing the strong lateral confinement. A comparison with a Maxwell-Bloch based rate equation model clearly shows the nonlinear transition into the lasing regime. The concentration of the electric field density and inhibition of lateral loss channels in turn decreases the lasing threshold by upmore » to one order of magnitude, to 0.1 nJ. By spectroscopic investigation of such a triangular wedge, we observe the transition from the unperturbed cavity state to a strongly confined complex transversal mode. Such a structured silver layer can be utilized in future for charge carrier injection in an electrically driven organic solid state laser.« less

Spectroscopic and crystal-field analysis of new Yb-doped laser materials

NASA Astrophysics Data System (ADS)

Haumesser, Paul-Henri; Gaumé, Romain; Viana, Bruno; Antic-Fidancev, Elisabeth; Vivien, Daniel

2001-06-01

Crystal-field effects are very important as far as laser performances of Yb-doped materials are concerned. In order to simplify the interpretation of low-temperature spectra, two tools derived from a careful examination of crystal-field interaction are presented. Both approaches are successfully applied in the case of new Yb-doped materials, namely Ca3Y2(BO3)4 (CYB), Ca3Gd2(BO3)4 (CaGB), Sr3Y(BO3)3 (SrYBO), Ba3Lu(BO3)3 (BLuB), Y2SiO5 (YSO), Ca2Al2SiO7 (CAS) and SrY4(SiO4)3O (SYS). The 2F7/2 splitting is particularly large in these materials and favourable to a quasi-three-level laser operating scheme. Calculations performed using the point charge electrostatic model for these compounds and using a consistent set of effective atomic charges confirm the experimental results. This should permit to use this model in a predictive approach.

Analysis of the $$\\tilde{A}$$ - $$\\tilde{X}$$ bands of the Ethynyl Radical near 1.48 μ-m and Re-evaluation of ~X State Energies

DOE PAGES

Le, A T.; Gross, Eisen C.; Hall, Gregory E.; ...

2018-05-15

Here, we report the observation and analysis of spectra in part of the near-infrared spectrum of C 2H, originating in rotational levels in the ground and lowest two excited bending vibrational levels of the groundmore » $$\\tilde{X}$$ 2Σ+ state. In the analysis, we have combined present and previously reported high resolution spectroscopic data for the lower levels involved in the transitions to determine significantly improved molecular constants to describe the fine and hyperfine split rotational levels of the radical in the zero point, v 2 = 1 and the 2Σ+ component of v 2 = 2. Two of the upper state vibronic levels involved had not been observed previously. The data and analysis indicate the electronic wavefunction character changes with bending vibrational excitation in the ground state and provide avenues for future measurements of reactivity of the radical as a function of vibrational excitation.« less

Direct observation of anisotropic small-hole polarons in an orthorhombic structure of BiV O4 films

NASA Astrophysics Data System (ADS)

Chaudhuri, A.; Mandal, L.; Chi, X.; Yang, M.; Scott, M. C.; Motapothula, M.; Yu, X. J.; Yang, P.; Shao-Horn, Y.; Venkatesan, T.; Wee, A. T. S.; Rusydi, A.

2018-05-01

Here, we report an anisotropic small-hole polaron in an orthorhombic structure of BiV O4 films grown by pulsed-laser deposition on yttrium-doped zirconium oxide substrate. The polaronic state and electronic structure of BiV O4 films are revealed using a combination of polarization-dependent x-ray absorption spectroscopy at V L3 ,2 edges, spectroscopic ellipsometry, x-ray photoemission spectroscopies, and high-resolution x-ray diffraction with the support of first-principles calculations. We find that in the orthorhombic phase, which is slightly different from the conventional pucherite structure, the unoccupied V 3d orbitals and charge inhomogeneities lead to an anisotropic small-hole polaron state. Our result shows the importance of the interplay of charge and lattice for the formation of a hole polaronic state, which has a significant impact in the electrical conductivity of BiV O4 , hence its potential use as a photoanode for water splitting.

Spectroscopic studies and crystal-field analyses of Am{sup 3+}: LiYF{sub 4}

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

Cavellec, R.; Hubert, S.; Simoni, E.

1997-03-01

Fluorescence and laser selective excitation spectroscopy have been used to investigate the electronic energy level structure of the actinide Am{sup 3+} (5{line_integral}{sup 6}) in LiYF{sub 4}. From the analysis of the fluorescence in the visible and infrared spectra obtained at 10K, 29 crystal-field levels have been assigned in the D{sub 2d} approximation. Zeeman splitting observation permits one to index some doubly degenerated {Gamma}{sub 5} levels. The phenomenological crystal-field parameters have been calculated in the D{sub 2d} approximation. A least-square adjustment yields a mean error of 38 cm{sup {minus}1} with the following values (in cm{sup {minus}1}) of the B{sub q}{sup k}more » parameters: B{sub O}{sup 2} = 473, B{sub 0}{sup 4} = -1776, B{sub 4}{sup 4}=2253, B{sub 0}{sup 6} = 80, and B{sub 4}{sup 6} = -2222.« less

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

Ogilvie, Jennifer P.

Photosystem II (PSII) is the only known natural enzyme that uses solar energy to split water, making the elucidation of its design principles critical for our fundamental understanding of photosynthesis and for our ability to mimic PSII’s remarkable properties. This report discusses progress towards addressing key open questions about the PSII RC. It describes new spectroscopic methods that were developed to answer these questions, and summarizes the outcomes of applying these methods to study the PSII RC. Using 2D electronic spectroscopy and 2D electronic Stark spectroscopy, models for the PSII RC were tested and refined. Work is ongoing to usemore » the collected data to elucidate the charge separation mechanism in the PSII RC. Coherent dynamics were also observed in the PSII RC for the first time. Through extensive characterization and modeling we have assigned these coherences as vibronic in nature, and believe that they reflect resonances between key vibrational pigment modes and electronic energy gaps that may facilitate charge separation. Work is ongoing to definitively test the functional relevance of electronic-vibrational resonances.« less

Millimeter and submillimeter wave spectroscopy of propanal

NASA Astrophysics Data System (ADS)

Zingsheim, Oliver; Müller, Holger S. P.; Lewen, Frank; Jørgensen, Jes K.; Schlemmer, Stephan

2017-12-01

The rotational spectra of the two stable conformers syn- and gauche-propanal (CH3CH2CHO) were studied in the millimeter and submillimeter wave regions from 75 to 500 GHz with the Cologne (Sub-)Millimeter wave Spectrometer. Furthermore, the first excited states associated with the aldehyde torsion and with the methyl torsion, respectively, of the syn-conformer were analyzed. The newly obtained spectroscopic parameters yield better predictions, thus fulfill sensitivity and resolution requirements in new astronomical observations in order to unambiguously assign pure rotational transitions of propanal. This is demonstrated on a radio astronomical spectrum from the Atacama Large Millimeter/submillimeter Array Protostellar Interferometric Line Survey (ALMA-PILS). In particular, an accurate description of observed splittings, caused by internal rotation of the methyl group in the syn-conformer and by tunneling rotation interaction from two stable degenerate gauche-conformers, is reported. The rotational spectrum of propanal is of additional interest because of its two large amplitude motions pertaining to the methyl and the aldehyde group, respectively.

Optimizing Spectroscopic and Photometric Galaxy Surveys: Same-Sky Benefits for Dark Energy and Modified Gravity

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

Kirk, Donnacha; Lahav, Ofer; Bridle, Sarah

The combination of multiple cosmological probes can produce measurements of cosmological parameters much more stringent than those possible with any individual probe. We examine the combination of two highly correlated probes of late-time structure growth: (i) weak gravitational lensing from a survey with photometric redshifts and (ii) galaxy clustering and redshift space distortions from a survey with spectroscopic redshifts. We choose generic survey designs so that our results are applicable to a range of current and future photometric redshift (e.g. KiDS, DES, HSC, Euclid) and spectroscopic redshift (e.g. DESI, 4MOST, Sumire) surveys. Combining the surveys greatly improves their power tomore » measure both dark energy and modified gravity. An independent, non-overlapping combination sees a dark energy figure of merit more than 4 times larger than that produced by either survey alone. The powerful synergies between the surveys are strongest for modified gravity, where their constraints are orthogonal, producing a non-overlapping joint figure of merit nearly 2 orders of magnitude larger than either alone. Our projected angular power spectrum formalism makes it easy to model the cross-correlation observable when the surveys overlap on the sky, producing a joint data vector and full covariance matrix. We calculate a same-sky improvement factor, from the inclusion of these cross-correlations, relative to non-overlapping surveys. We find nearly a factor of 4 for dark energy and more than a factor of 2 for modified gravity. The exact forecast figures of merit and same-sky benefits can be radically affected by a range of forecasts assumption, which we explore methodically in a sensitivity analysis. We show that that our fiducial assumptions produce robust results which give a good average picture of the science return from combining photometric and spectroscopic surveys.« less

Accurate potential energy curves, spectroscopic parameters, transition dipole moments, and transition probabilities of 21 low-lying states of the CO+ cation

NASA Astrophysics Data System (ADS)

Xing, Wei; Shi, Deheng; Zhang, Jicai; Sun, Jinfeng; Zhu, Zunlue

2018-05-01

This paper calculates the potential energy curves of 21 Λ-S and 42 Ω states, which arise from the first two dissociation asymptotes of the CO+ cation. The calculations are conducted using the complete active space self-consistent field method, which is followed by the valence internally contracted multireference configuration interaction approach with the Davidson correction. To improve the reliability and accuracy of the potential energy curves, core-valence correlation and scalar relativistic corrections, as well as the extrapolation of potential energies to the complete basis set limit are taken into account. The spectroscopic parameters and vibrational levels are determined. The spin-orbit coupling effect on the spectroscopic parameters and vibrational levels is evaluated. To better study the transition probabilities, the transition dipole moments are computed. The Franck-Condon factors and Einstein coefficients of some emissions are calculated. The radiative lifetimes are determined for a number of vibrational levels of several states. The transitions between different Λ-S states are evaluated. Spectroscopic routines for observing these states are proposed. The spectroscopic parameters, vibrational levels, transition dipole moments, and transition probabilities reported in this paper can be considered to be very reliable and can be used as guidelines for detecting these states in an appropriate spectroscopy experiment, especially for the states that were very difficult to observe or were not detected in previous experiments.

Construct validity test of evaluation tool for professional behaviors of entry-level occupational therapy students in the United States.

PubMed

Yuen, Hon K; Azuero, Andres; Lackey, Kaitlin W; Brown, Nicole S; Shrestha, Sangita

2016-01-01

This study aimed to test the construct validity of an instrument to measure student professional behaviors in entry-level occupational therapy (OT) students in the academic setting. A total of 718 students from 37 OT programs across the United States answered a self-assessment survey of professional behavior that we developed. The survey consisted of ranking 28 attributes, each on a 5-point Likert scale. A split-sample approach was used for exploratory and then confirmatory factor analysis. A three-factor solution with nine items was extracted using exploratory factor analysis [EFA] (n=430, 60%). The factors were 'Commitment to Learning' (2 items), 'Skills for Learning' (4 items), and 'Cultural Competence' (3 items). Confirmatory factor analysis (CFA) on the validation split (n=288, 40%) indicated fair fit for this three-factor model (fit indices: CFI=0.96, RMSEA=0.06, and SRMR=0.05). Internal consistency reliability estimates of each factor and the instrument ranged from 0.63 to 0.79. Results of the CFA in a separate validation dataset provided robust measures of goodness-of-fit for the three-factor solution developed in the EFA, and indicated that the three-factor model fitted the data well enough. Therefore, we can conclude that this student professional behavior evaluation instrument is a structurally validated tool to measure professional behaviors reported by entry-level OT students. The internal consistency reliability of each individual factor and the whole instrument was considered to be adequate to good.

Detection of the spectroscopic signatures of explosives and their degradation products

NASA Astrophysics Data System (ADS)

Florian, Vivian; Cabanzo, Andrea; Baez, Bibiana; Correa, Sandra; Irrazabal, Maik; Briano, Julio G.; Castro, Miguel E.; Hernandez-Rivera, Samuel P.

2005-06-01

Detection and removal of antipersonnel and antitank landmines is a great challenge and a worldwide enviromental and humanitarian problem. Sensors tuned on the spectroscopic signature of the chemicals released from mines are a potential solution. Enviromental factors (temperature, relative humidity, rainfall precipitation, wind, sun irradiation, pressure, etc.) as well as soil characteristics (water content, compaction, porosity, chemical composition, particle size distribution, topography, vegetation, etc), have a direct impact on the fate and transport of the chemicals released from landmines. Chemicals such as TNT, DNT and their degradation products, are semi-volatile, and somewhat soluble in water. Also, they may adsorb strongly to soil particles, and are susceptible to degradation by microorganisms, light, or chemical agents. Here we show an experimental procedure to quantify the effect of the above variables on the spectroscopic signature. A number of soil tanks under controlled conditions are used to study the effect of temperature, water content, relative humidity and light radiation.

FACTORS AFFECTING THE CHAIN LENGTH OF GROUP A STREPTOCOCCI

PubMed Central

Ekstedt, Richard D.; Stollerman, Gene H.

1960-01-01

Group A streptococci which grew in long chains in the presence of homologous anti-M antibody were split into their original length by the addition of an excess of homologous M protein to the culture. The chain-splitting reaction showed temperature and pH optima (37°C., 7.5) and was completely inhibited at 0°C. or by heat-killing the long chains at 56°C. prior to the addition of M protein. Addition of sublethal doses of HgCl2, or of penicillin, inhibited the chain-splitting reaction. Pneumococci behaved in entirely comparable fashion to streptococci in similar experiments. Virulent strains of streptococci formed the shortest chains when broth media was enriched with serum. The chain-shortening effect of serum enrichment of the media was most apparent with encapsulated strains and under cultural conditions that favored capsule formation. Loss of capsules by mutation or by unfavorable growth conditions resulted in increase in chain length. The activity of the chain-splitting mechanism seemed to be independent of M protein, however, since encapsulated M-negative variants also formed very short chain in serum-enriched media. The physical presence of the capsule was not essential for chain shortening since enzymatic removal of the capsule with hyaluronidase during growth did not affect chain length. These results strongly suggest that chain-splitting of streptococci and pneumococci occurs by an active metabolic mechanism, presumably enzymatic, which is inhibited by the union of surface antigens with specific antibody. PMID:13726267

First-order symmetry-adapted perturbation theory for multiplet splittings.

PubMed

Patkowski, Konrad; Żuchowski, Piotr S; Smith, Daniel G A

2018-04-28

We present a symmetry-adapted perturbation theory (SAPT) for the interaction of two high-spin open-shell molecules (described by their restricted open-shell Hartree-Fock determinants) resulting in low-spin states of the complex. The previously available SAPT formalisms, except for some system-specific studies for few-electron complexes, were restricted to the high-spin state of the interacting system. Thus, the new approach provides, for the first time, a SAPT-based estimate of the splittings between different spin states of the complex. We have derived and implemented the lowest-order SAPT term responsible for these splittings, that is, the first-order exchange energy. We show that within the so-called S 2 approximation commonly used in SAPT (neglecting effects that vanish as fourth or higher powers of intermolecular overlap integrals), the first-order exchange energies for all multiplets are linear combinations of two matrix elements: a diagonal exchange term that determines the spin-averaged effect and a spin-flip term responsible for the splittings between the states. The numerical factors in this linear combination are determined solely by the Clebsch-Gordan coefficients: accordingly, the S 2 approximation implies a Heisenberg Hamiltonian picture with a single coupling strength parameter determining all the splittings. The new approach is cast into both molecular-orbital and atomic-orbital expressions: the latter enable an efficient density-fitted implementation. We test the newly developed formalism on several open-shell complexes ranging from diatomic systems (Li⋯H, Mn⋯Mn, …) to the phenalenyl dimer.

First-order symmetry-adapted perturbation theory for multiplet splittings

NASA Astrophysics Data System (ADS)

Patkowski, Konrad; Żuchowski, Piotr S.; Smith, Daniel G. A.

2018-04-01

We present a symmetry-adapted perturbation theory (SAPT) for the interaction of two high-spin open-shell molecules (described by their restricted open-shell Hartree-Fock determinants) resulting in low-spin states of the complex. The previously available SAPT formalisms, except for some system-specific studies for few-electron complexes, were restricted to the high-spin state of the interacting system. Thus, the new approach provides, for the first time, a SAPT-based estimate of the splittings between different spin states of the complex. We have derived and implemented the lowest-order SAPT term responsible for these splittings, that is, the first-order exchange energy. We show that within the so-called S2 approximation commonly used in SAPT (neglecting effects that vanish as fourth or higher powers of intermolecular overlap integrals), the first-order exchange energies for all multiplets are linear combinations of two matrix elements: a diagonal exchange term that determines the spin-averaged effect and a spin-flip term responsible for the splittings between the states. The numerical factors in this linear combination are determined solely by the Clebsch-Gordan coefficients: accordingly, the S2 approximation implies a Heisenberg Hamiltonian picture with a single coupling strength parameter determining all the splittings. The new approach is cast into both molecular-orbital and atomic-orbital expressions: the latter enable an efficient density-fitted implementation. We test the newly developed formalism on several open-shell complexes ranging from diatomic systems (Li⋯H, Mn⋯Mn, …) to the phenalenyl dimer.

Theoretical spectroscopic characterization at low temperatures of detectable sulfur-organic compounds: Ethyl mercaptan and dimethyl sulfide

NASA Astrophysics Data System (ADS)

Senent, M. L.; Puzzarini, C.; Domínguez-Gómez, R.; Carvajal, M.; Hochlaf, M.

2014-03-01

Highly correlated ab initio methods are used for the spectroscopic characterization of ethyl mercaptan (CH3CH232SH, ETSH) and dimethyl sulfide (CH332SCH3, DMS), considering them on the vibrational ground and excited torsional states. Since both molecules show non-rigid properties, torsional energy barriers and splittings are provided. Equilibrium geometries and the corresponding rotational constants are calculated by means of a composite scheme based on CCSD(T) calculations that accounts for the extrapolation to the complete basis set limit and core-correlation effects. The ground and excited states rotational constants are then determined using vibrational corrections obtained from CCSD/cc-pVTZ force-field calculations, which are also employed to determine anharmonic frequencies for all vibrational modes. CCSD(T) and CCSD force fields are employed to predict quartic and sextic centrifugal-distortion constants, respectively. Equilibrium rotational constants are also calculated using CCSD(T)-F12. The full-dimensional anharmonic analysis does not predict displacements of the lowest torsional excited states due to Fermi resonances with the remaining vibrational modes. Thus, very accurate torsional transitions are calculated by solving variationally two-dimensional Hamiltonians depending on the CH3 and SH torsional coordinates of ethyl mercaptan or on the two methyl groups torsions of dimethyl-sulfide. For this purpose, vibrationally corrected potential energy surfaces are computed at the CCSD(T)/aug-cc-pVTZ level of theory. For ethyl mercaptan, calculations show large differences between the gauche (g) and trans (t) conformer spectral features. Interactions between rotating groups are responsible for the displacements of the g-bands with respect to the t-bands that cannot therefore be described with one-dimensional models. For DMS, the CCSD(T) potential energy surface has been semi-empirically adjusted to reproduce experimental data. New assignments are suggested for the methyl torsion bands of ETSH and a reassignment is proposed for the infrared bands of DMS (0 3 → 0 4 and 1 0 → 1 1). Our accurate spectroscopic data should be useful for the analysis of the microwave and far infrared spectra of ETSH and DMS recorded, at low temperatures, either in laboratory or in the interstellar medium.

A model for the spectroscopic variations of the peculiar symbiotic star MWC 560

NASA Technical Reports Server (NTRS)

Shore, Steven N.; Aufdenberg, Jason P.; Michalitsianos, A. G.

1994-01-01

In this note, we show that the ultraviolet and optical spectroscopic variability of this unique symbiotic star can be understood in terms of a time variable collimated stellar wind with a rapid acceleration near the source. Using the radial velocities observed during the ultraviolet bright phase, we find that a variation in the mass loss rate of a factor of ten can explain the ultraviolet spectral changes. The acceleration is far faster than normally observed in radiatively driven stellar winds and may be due to mechanical driving of the outflow from the disk.

Longitudinal vector form factors in weak decays of nuclei

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

Šimkovic, F.; Department of Nuclear Physics and Biophysics, Comenius University, Mlynská dolina F1 SK–842 48 Bratislava; Kovalenko, S.

2015-10-28

The longitudinal form factors of the weak vector current of particles with spin J = 1/2 and isospin I = 1/2 are determined by the mass difference and the charge radii of members of the isotopic doublets. The most promising reactions to measure these form factors are the reactions with large momentum transfers involving the spin-1/2 isotopic doublets with a maximum mass splitting. Numerical estimates of longitudinal form factors are given for nucleons and eight nuclear spin-1/2 isotopic doublets.

Spectroscopic imaging of biomaterials and biological systems with FTIR microscopy or with quantum cascade lasers.

PubMed

Kimber, James A; Kazarian, Sergei G

2017-10-01

Spectroscopic imaging of biomaterials and biological systems has received increased interest within the last decade because of its potential to aid in the detection of disease using biomaterials/biopsy samples and to probe the states of live cells in a label-free manner. The factors behind this increased attention include the availability of improved infrared microscopes and systems that do not require the use of a synchrotron as a light source, as well as the decreasing costs of these systems. This article highlights the current technical challenges and future directions of mid-infrared spectroscopic imaging within this field. Specifically, these are improvements in spatial resolution and spectral quality through the use of novel added lenses and computational algorithms, as well as quantum cascade laser imaging systems, which offer advantages over traditional Fourier transform infrared systems with respect to the speed of acquisition and field of view. Overcoming these challenges will push forward spectroscopic imaging as a viable tool for disease diagnostics and medical research. Graphical abstract Absorbance images of a biopsy obtained using an FTIR imaging microscope with and without an added lens, and also using a QCL microscope with high-NA objective.

Slip and Slide Method of Factoring Trinomials with Integer Coefficients over the Integers

ERIC Educational Resources Information Center

Donnell, William A.

2012-01-01

In intermediate and college algebra courses there are a number of methods for factoring quadratic trinomials with integer coefficients over the integers. Some of these methods have been given names, such as trial and error, reversing FOIL, AC method, middle term splitting method and slip and slide method. The purpose of this article is to discuss…

On Bi-Grid Local Mode Analysis of Solution Techniques for 3-D Euler and Navier-Stokes Equations

NASA Technical Reports Server (NTRS)

Ibraheem, S. O.; Demuren, A. O.

1994-01-01

A procedure is presented for utilizing a bi-grid stability analysis as a practical tool for predicting multigrid performance in a range of numerical methods for solving Euler and Navier-Stokes equations. Model problems based on the convection, diffusion and Burger's equation are used to illustrate the superiority of the bi-grid analysis as a predictive tool for multigrid performance in comparison to the smoothing factor derived from conventional von Neumann analysis. For the Euler equations, bi-grid analysis is presented for three upwind difference based factorizations, namely Spatial, Eigenvalue and Combination splits, and two central difference based factorizations, namely LU and ADI methods. In the former, both the Steger-Warming and van Leer flux-vector splitting methods are considered. For the Navier-Stokes equations, only the Beam-Warming (ADI) central difference scheme is considered. In each case, estimates of multigrid convergence rates from the bi-grid analysis are compared to smoothing factors obtained from single-grid stability analysis. Effects of grid aspect ratio and flow skewness are examined. Both predictions are compared with practical multigrid convergence rates for 2-D Euler and Navier-Stokes solutions based on the Beam-Warming central scheme.

Outcomes of left split graft transplantation in Europe: report from the European Liver Transplant Registry.

PubMed

Angelico, Roberta; Nardi, Alessandra; Adam, René; Nadalin, Silvio; Polak, Wojciech G; Karam, Vincent; Troisi, Roberto I; Muiesan, Paolo

2018-07-01

Split liver transplantation (SLT) has been widely adopted across Europe, resulting in remarkable reduction in the paediatric waiting-list mortality. Left split graft (LSG) is commonly used for paediatric recipients; however, deceased donor criteria selection are not universal. The aim of this study was to analyse the LSG outcome from the European Liver Transplant Registry and to identify risk factors for graft failure. Data from 1500 children transplanted in 2006-2014 with LSG from deceased donors were retrospectively analysed. Overall, graft losses were 343(22.9%) after 5 years from transplantation, 240(70.0%) occurred within the first 3 months. Estimated patient survival was 89.1% at 3 months and 82.9% at 5 years from SLT. Re-transplantation rate was 11.5%. At multivariable analysis, significant risk factors for graft failure at 3 months included the following: urgent SLT (HR = 1.73, P = 0.0012), recipient body weight ≤6 kg (HR = 1.91, P = 0.0029), donor age >50 years (HR = 1.87, P = 0.0039), and cold ischaemic time (CIT) [HR = 1.07 per hour, P = 0.0227]. LSG has good outcomes and SLT is excellent option for paediatric recipients in the current organ shortage era. We identified practical guidelines for LSG donor and recipient selection criteria: donor age may be safely extended up to 50 years in the absence of additional risk factors; thus, children <6 kg and urgent transplantation need CIT <6 h and appropriate graft/recipient size-matching to achieve good outcomes. © 2018 Steunstichting ESOT.

Modal split model considering carpool mode

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

Lyles, R.W.

1979-03-01

Modal split remains a primary concern of transportation planners as the state-of-the art has developed from diversion curves to behavioral models. The approach taken here is to formulate the mode-choice decision for the work trip as a linear combination of real and perceived characteristics of the modes considered. The logit formulation is used with three modes being considered: two automobile modes (drive-alone and carpool) and a public transit mode (bus). The final model provides insight into which factors are important in travel decisions among these three modes and the importance of examining traveler's perceptions of the differences among modes relativemore » to actual measurable differences.« less

Computationally efficient method for Fourier transform of highly chirped pulses for laser and parametric amplifier modeling.

PubMed

Andrianov, Alexey; Szabo, Aron; Sergeev, Alexander; Kim, Arkady; Chvykov, Vladimir; Kalashnikov, Mikhail

2016-11-14

We developed an improved approach to calculate the Fourier transform of signals with arbitrary large quadratic phase which can be efficiently implemented in numerical simulations utilizing Fast Fourier transform. The proposed algorithm significantly reduces the computational cost of Fourier transform of a highly chirped and stretched pulse by splitting it into two separate transforms of almost transform limited pulses, thereby reducing the required grid size roughly by a factor of the pulse stretching. The application of our improved Fourier transform algorithm in the split-step method for numerical modeling of CPA and OPCPA shows excellent agreement with standard algorithms.

Holographic spectrum-splitting optical systems for solar photovoltaics

NASA Astrophysics Data System (ADS)

Zhang, Deming

Solar energy is the most abundant source of renewable energy available. The relatively high cost prevents solar photovoltaic (PV) from replacing fossil fuel on a larger scale. In solar PV power generation the cost is reduced with more efficient PV technologies. In this dissertation, methods to improve PV conversion efficiency with holographic optical components are discussed. The tandem multiple-junction approach has achieved very high conversion efficiency. However it is impossible to manufacture tandem PV cells at a low cost due to stringent fabrication standards and limited material types that satisfy lattice compatibility. Current produced by the tandem multi-junction PV cell is limited by the lowest junction due to series connection. Spectrum-splitting is a lateral multi-junction concept that is free of lattice and current matching constraints. Each PV cell can be optimized towards full absorption of a spectral band with tailored light-trapping schemes. Holographic optical components are designed to achieve spectrum-splitting PV energy conversion. The incident solar spectrum is separated onto multiple PV cells that are matched to the corresponding spectral band. Holographic spectrum-splitting can take advantage of existing and future low-cost technologies that produces high efficiency thin-film solar cells. Spectrum-splitting optical systems are designed and analyzed with both transmission and reflection holographic optical components. Prototype holograms are fabricated and high optical efficiency is achieved. Light-trapping in PV cells increases the effective optical path-length in the semiconductor material leading to improved absorption and conversion efficiency. It has been shown that the effective optical path length can be increased by a factor of 4n2 using diffusive surfaces. Ultra-light-trapping can be achieved with optical filters that limit the escape angle of the diffused light. Holographic reflection gratings have been shown to act as angle-wavelength selective filters that can function as ultra-light-trapping filters. Results from an experimental reflection hologram are used to model the absorption enhancement factor for a silicon solar cell and light-trapping filter. The result shows a significant improvement in current generation for thin-film silicon solar cells under typical operating conditions.

Automated parton-shower variations in PYTHIA 8

DOE PAGES

Mrenna, S.; Skands, P.

2016-10-03

In the era of precision physics measurements at the LHC, efficient and exhaustive estimations of theoretical uncertainties play an increasingly crucial role. In the context of Monte Carlo (MC) event generators, the estimation of such uncertainties traditionally requires independent MC runs for each variation, for a linear increase in total run time. In this work, we report on an automated evaluation of the dominant (renormalization-scale and nonsingular) perturbative uncertainties in the pythia 8 event generator, with only a modest computational overhead. Each generated event is accompanied by a vector of alternative weights (one for each uncertainty variation), with each set separatelymore » preserving the total cross section. Explicit scale-compensating terms can be included, reflecting known coefficients of higher-order splitting terms and reducing the effect of the variations. In conclusion, the formalism also allows for the enhancement of rare partonic splittings, such as g→bb¯ and q→qγ, to obtain weighted samples enriched in these splittings while preserving the correct physical Sudakov factors.« less

Strongly enhanced Rashba splittings in an oxide heterostructure: A tantalate monolayer on BaHfO 3

DOE PAGES

Kim, Minsung; Ihm, Jisoon; Chung, Suk Bum

2016-09-22

In the two-dimensional electron gas emerging at the transition metal oxide surface and interface, various exotic electronic ordering and topological phases can become experimentally more accessible with the stronger Rashba spin-orbit interaction. Here, we present a promising route to realize significant Rashba-type band splitting using a thin film heterostructure. Based on first-principles methods and analytic model analyses, a tantalate monolayer on BaHfO 3 is shown to host two-dimensional bands originating from Ta t 2g states with strong Rashba spin splittings, nearly 10% of the bandwidth, at both the band minima and saddle points. An important factor in this enhanced splittingmore » is the significant t 2g–e g interband coupling, which can generically arise when the inversion symmetry is maximally broken due to the strong confinement of the 2DEG on a transition metal oxide surface. Here, our results could be useful in realizing topological superconductivity at oxide surfaces.« less

MIP Models and Hybrid Algorithms for Simultaneous Job Splitting and Scheduling on Unrelated Parallel Machines

PubMed Central

Ozmutlu, H. Cenk

2014-01-01

We developed mixed integer programming (MIP) models and hybrid genetic-local search algorithms for the scheduling problem of unrelated parallel machines with job sequence and machine-dependent setup times and with job splitting property. The first contribution of this paper is to introduce novel algorithms which make splitting and scheduling simultaneously with variable number of subjobs. We proposed simple chromosome structure which is constituted by random key numbers in hybrid genetic-local search algorithm (GAspLA). Random key numbers are used frequently in genetic algorithms, but it creates additional difficulty when hybrid factors in local search are implemented. We developed algorithms that satisfy the adaptation of results of local search into the genetic algorithms with minimum relocation operation of genes' random key numbers. This is the second contribution of the paper. The third contribution of this paper is three developed new MIP models which are making splitting and scheduling simultaneously. The fourth contribution of this paper is implementation of the GAspLAMIP. This implementation let us verify the optimality of GAspLA for the studied combinations. The proposed methods are tested on a set of problems taken from the literature and the results validate the effectiveness of the proposed algorithms. PMID:24977204

Spectroscopic Factors From the Single Neutron Pickup Reaction ^64Zn(d,t)

NASA Astrophysics Data System (ADS)

Leach, Kyle; Garrett, P. E.; Demand, G. A.; Finlay, P.; Green, K. L.; Phillips, A. A.; Sumithrarachchi, C. S.; Svensson, C. E.; Triambak, S.; Ball, G. C.; Faestermann, T.; Krücken, R.; Wirth, H.-F.; Herten-Berger, R.

2008-10-01

A great deal of attention has recently been paid towards high precision superallowed β-decay Ft values. With the availability of extremely high precision (<0.1%) experimental data, the precision on Ft is now limited by the ˜1% theoretical corrections.ootnotetextI.S. Towner and J.C. Hardy, Phys. Rev. C 77, 025501 (2008). This limitation is most evident in heavier superallowed nuclei (e.g. ^62Ga) where the isospin-symmetry-breaking correction calculations become more difficult due to the truncated model space. Experimental data is needed to help constrain input parameters for these calculations, and thus experimental spectroscopic factors for these nuclei are important. Preliminary results from the single-nucleon-transfer reaction ^64Zn(d,t)^63Zn will be presented, and the implications for calculations of isospin-symmetry breaking in the superallowed &+circ; decay of ^62Ga will be discussed.

Extracting Spectroscopic Factors of Argon Isotopes from Transfer Reactions

NASA Astrophysics Data System (ADS)

Manfredi, Juan; Tsang, M. B.; Lynch, W. G.; Brown, K. W.; Cerizza, G.; Barney, J.; Estee, J.; Loelius, C.; Sweany, S.; Anderson, C.; Setiawan, H.; Winkelbauer, J.; Smith, K.; Lee, J.; Xu, Z.; Rogers, A.; Pruitt, C.; Chajecki, Z.; Chen, G.; Langer, C.; Xiao, Z.; Li, Z.; Niu, C.

2017-09-01

A spectroscopic factor (SF) quantifies the single particle structure of a given state in a nucleus. There is a discrepancy in extracted SF's between studies that use transfer reactions and those that use knockout reactions. Resolving this discrepancy is important both for understanding reaction probes as well as constraining nuclear structure theory. Kinematically complete measurements of the transfer reactions 34Ar(p,d) and 46Ar(p,d) were performed at the National Superconducting Cyclotron Laboratory. The same beam energy (70 MeV/u) was used as in a previous knockout measurement to account for energy dependence in the relevant optical potentials. Preliminary results will be presented. In addition, findings from measurement of the two-neutron transfer reactions 34Ar(p,t) and 4 6 Ar(p,t) will be discussed. This work was supported by the NSF (PHY 1565546) and the DOE NNSA Stewardship Science Graduate Fellowship.

[A strategy for assessing environmental influence on airway allergy using a regression binary tree-based method].

PubMed

Yoshioka, Fumi; Azuma, Emiko; Nakajima, Takae; Hashimoto, Masafumi; Toyoshima, Kyoichiro; Komachi, Yoshio

2004-08-01

To clarify the living environment factors that increase the risk of allergic sensitization to house dust mites, we applied a regression binary tree-based method (CART, Classification & Regression Trees) to an epidemiological study on airway allergy. The utility of the tree map in personal sanitary guidance for preventing allergic sensitization was examined with respect to feasibility and validity. A questionnaire was given to 386 healthy adult women, asking them about their individual living environments. Also, blood samples were collected to measure Dermatophagoides pteronyssinus (Dp)-specific IgE, the presence/absence of Dp-sensitization being expressed as positive/negative. The questionnaire consisted of nine items on (1) home ventilation by keeping windows open, (2) personal or family smoking habits, (3) use of air conditioners in hot weather, (4) type of flooring (tatami/wooden/carpet) in the living room, (5) visible mold proliferation in the kitchen, (6) type of housing (concrete/wooden), (7) residential area (heavy or light traffic area) (8) heating system (use of unventilated combustion appliances), and (9) frequency of cleaning (every day or less often). There also were queries on the past history of airway allergic diseases, such as bronchial asthma and allergic rhinitis. CART and a multivariate logistic regression analysis (MLRA) were performed. The subjects were first classified into two groups, with and without a history of airway allergic diseases (Groups WPH and WOPH). In each group, the involvement of living environment factors in Dp-sensitization was examined using CART and MLRA. In the MLRA study, individual living environment factors showed promotional or suppressive effects on Dp-sensitization with differences between the two groups. With respect to the CART results, the two groups were first split by the factor that had the most significant odds ratio for MLRA. In Group WPH, which had a Dp-sensitization risk of 19.5%, the first split was by the factor of visible mold proliferation in the kitchen into the factor-present group with a risk value of 45.5% and the factor-absent group with 13.5%. The mold proliferation group was split with reference to frequent cleaning, and the risk rose to 75% in the factor-absent group and to 100% when family smoking habits were reported. Group WOPH (the risk: 10.8%) was first split into two groups according to the use of air conditioners in hot weather for more than 6 hours a day or less, which showed risk values of 16.7% and 6.9%, respectively. The risk of the group that intensively used air conditioners fell to 8.3% with tatami as flooring in the living room, and, if others, rose to 20.8%. The risk of the factor-lacking group fell to 4.0% without wooden flooring. CART analysis enables us to express complex relationships between living environment factors and Dp-sensitization simply by a binary regression tree, pointing to preventive strategies that can be flexibly changed according to the individual living environments of the subjects.

Effects of Isotropic and Anisotropic Structure in the Lowermost Mantle on High-Frequency Body Waveforms

NASA Astrophysics Data System (ADS)

Parisi, L.; Ferreira, A. M. G.; Ritsema, J.

2015-12-01

It has been observed that vertically (SV) and horizontally (SH) polarised S waves crossing the lowermost mantle sometimes are split by a few seconds The splitting of such waves is often interpreted in terms of seismic anisotropy in the D" region. Here we investigate systematically the effects of elastic, anelastic, isotropic and anisotropic structure on shear-wave splitting, including 3-D variations in some of these physical properties. Taking advantage of accurate waveform modeling techniques such as Gemini and the Spectral Element Method we generate three-component theoretical waveforms in a wide set of 1-D and 3-D, isotropic and radially anisotropic earth models, accurate down to a wave period of T~5.6s. Our numerical simulations in isotropic earth models show that the contamination of S waves by other phases can generate an apparent splitting between SH and SV waves. In particular, in the case of very shallow sources, the sS phase can interfere with the direct S phase, resulting in split SH and SV pulses when the SH and SV (or sSH and sSV) waves have different polarity or a substantial amplitude difference. In the case of deep earthquake sources, a positive shear velocity jump at the top of the D" can cause the triplication of S waves and the ScSH and ScSV phases can have different polarity. Thus, when the triplicated S wave is combined with the ScS phase, the resulting SH-ScSH and SV-ScSV phases may seem split. On the other hand, in the absence of a sharp vertical variation in the shear wave velocity, the difference in polarity between ScSH and ScSV can make the SH pulse larger than SV and thus also lead to apparent splitting between these phases. This effect depends on the thickness of the D" and the Vs gradient within it. S waveforms simulated in radially anisotropic models reveal that a radial anisotropy of ξ=1.07 in the D" seems to be necessary to explain the 2-3s of splitting observed in waveforms recorded in Tanzania from an event in the Banda Sea. However, our analysis also shows that other factors such as sharp vertical variations at the top of D" and gradients of Vs and η within the D'' may also affect the observed waveforms. This study suggests that caution should be taken when interpreting SH-SV splitting of deep mantle body waves exclusively in terms of anisotropy in the lowermost mantle.

Development of novel types of plastid transformation vectors and evaluation of factors controlling expression.

PubMed

Herz, Stefan; Füssl, Monika; Steiger, Sandra; Koop, Hans-Ulrich

2005-12-01

Two new vector types for plastid transformation were developed and uidA reporter gene expression was compared to standard transformation vectors. The first vector type does not contain any plastid promoter, instead it relies on extension of existing plastid operons and was therefore named "operon-extension" vector. When a strongly expressed plastid operon like psbA was extended by the reporter gene with this vector type, the expression level was superior to that of a standard vector under control of the 16S rRNA promoter. Different insertion sites, promoters and 5'-UTRs were analysed for their effect on reporter gene expression with standard and operon-extension vectors. The 5'-UTR of phage 7 gene 10 in combination with a modified N-terminus was found to yield the highest expression levels. Expression levels were also strongly dependent on external factors like plant or leaf age or light intensity. In the second vector type, named "split" plastid transformation vector, modules of the expression cassette were distributed on two separate vectors. Upon co-transformation of plastids with these vectors, the complete expression cassette became inserted into the plastome. This result can be explained by successive co-integration of the split vectors and final loop-out recombination of the duplicated sequences. The split vector concept was validated with different vector pairs.

Fractographic Analysis of a Split Tooth Presenting Radiographically as a Horizontal Root Fracture in an Unrestored Mandibular Second Molar.

PubMed

Krishnan, Unni; Moule, Alex; Michael, Shaji; Swain, Michael

2018-02-01

Spontaneously catastrophic fracture of intact unrestored molar teeth is not common. Nevertheless, cracks do occur that progress apically, resulting in the complete splitting of the tooth and root. This report describes a catastrophic fracture that occurred in an unrestored mandibular second molar resulting in a previously unreported combination of a longitudinal and horizontal root fracture, appearing radiographically as a single horizontal root fracture. Tooth fragments were examined clinically, stereoscopically, and by scanning electron microscopy. Fractographic analysis was used to investigate the dynamics involved in fracture initiation, structural resistances encountered during progression of the fracture, and reasons for direction changes culminating in the unusual radiographic appearance. The uniqueness of this report is that it describes fractographic evidence of factors contributing to the initiation and progression of an in vivo crack. It shows fracture markings that are evidence of the energy dissipation mechanisms. The topographic location of these markings confirmed that cracks occur in vivo in stages with different rates of progression. This analysis helps to explain why split teeth are uncommon and highlights some of the multitude of factors that have to coincide for a tooth to catastrophically fracture. The report describes the mechanism of fracture and should stimulate clinicians and researchers to investigate cracking of teeth by undertaking fractographic analysis of extracted cracked teeth. Copyright © 2017 American Association of Endodontists. All rights reserved.

A Simple Method for Differentiating Complicated Parapneumonic Effusion/Empyema from Parapneumonic Effusion Using the Split Pleura Sign and the Amount of Pleural Effusion on Thoracic CT.

PubMed

Tsujimoto, Naoki; Saraya, Takeshi; Light, Richard W; Tsukahara, Yayoi; Koide, Takashi; Kurai, Daisuke; Ishii, Haruyuki; Kimura, Hirokazu; Goto, Hajime; Takizawa, Hajime

2015-01-01

Pleural separation, the "split pleura" sign, has been reported in patients with empyema. However, the diagnostic yield of the split pleura sign for complicated parapneumonic effusion (CPPE)/empyema and its utility for differentiating CPPE/empyema from parapneumonic effusion (PPE) remains unclear. This differentiation is important because CPPE/empyema patients need thoracic drainage. In this regard, the aim of this study was to develop a simple method to distinguish CPPE/empyema from PPE using computed tomography (CT) focusing on the split pleura sign, fluid attenuation values (HU: Hounsfield units), and amount of fluid collection measured on thoracic CT prior to diagnostic thoracentesis. A total of 83 consecutive patients who underwent chest CT and were diagnosed with CPPE (n=18)/empyema (n=18) or PPE (n=47) based on the diagnostic thoracentesis were retrospectively analyzed. On univariate analysis, the split pleura sign (odds ratio (OR), 12.1; p<0.001), total amount of pleural effusion (≥30 mm) (OR, 6.13; p<0.001), HU value≥10 (OR, 5.94; p=0.001), and the presence of septum (OR, 6.43; p=0.018), atelectasis (OR, 6.83; p=0.002), or air (OR, 9.90; p=0.002) in pleural fluid were significantly higher in the CPPE/empyema group than in the PPE group. On multivariate analysis, only the split pleura sign (hazard ratio (HR), 6.70; 95% confidence interval (CI), 1.91-23.5; p=0.003) and total amount of pleural effusion (≥30 mm) on thoracic CT (HR, 7.48; 95%CI, 1.76-31.8; p=0.006) were risk factors for empyema. Sensitivity, specificity, positive predictive value, and negative predictive value of the presence of both split pleura sign and total amount of pleural effusion (≥30 mm) on thoracic CT for CPPE/empyema were 79.4%, 80.9%, 75%, and 84.4%, respectively, with an area under the curve of 0.801 on receiver operating characteristic curve analysis. This study showed a high diagnostic yield of the split pleura sign and total amount of pleural fluid (≥30 mm) on thoracic CT that is useful and simple for discriminating between CPPE/empyema and PPE prior to diagnostic thoracentesis.

A Simple Method for Differentiating Complicated Parapneumonic Effusion/Empyema from Parapneumonic Effusion Using the Split Pleura Sign and the Amount of Pleural Effusion on Thoracic CT

PubMed Central

Tsujimoto, Naoki; Saraya, Takeshi; Light, Richard W.; Tsukahara, Yayoi; Koide, Takashi; Kurai, Daisuke; Ishii, Haruyuki; Kimura, Hirokazu; Goto, Hajime; Takizawa, Hajime

2015-01-01

Background Pleural separation, the “split pleura” sign, has been reported in patients with empyema. However, the diagnostic yield of the split pleura sign for complicated parapneumonic effusion (CPPE)/empyema and its utility for differentiating CPPE/empyema from parapneumonic effusion (PPE) remains unclear. This differentiation is important because CPPE/empyema patients need thoracic drainage. In this regard, the aim of this study was to develop a simple method to distinguish CPPE/empyema from PPE using computed tomography (CT) focusing on the split pleura sign, fluid attenuation values (HU: Hounsfield units), and amount of fluid collection measured on thoracic CT prior to diagnostic thoracentesis. Methods A total of 83 consecutive patients who underwent chest CT and were diagnosed with CPPE (n=18)/empyema (n=18) or PPE (n=47) based on the diagnostic thoracentesis were retrospectively analyzed. Results On univariate analysis, the split pleura sign (odds ratio (OR), 12.1; p<0.001), total amount of pleural effusion (≥30 mm) (OR, 6.13; p<0.001), HU value≥10 (OR, 5.94; p=0.001), and the presence of septum (OR, 6.43; p=0.018), atelectasis (OR, 6.83; p=0.002), or air (OR, 9.90; p=0.002) in pleural fluid were significantly higher in the CPPE/empyema group than in the PPE group. On multivariate analysis, only the split pleura sign (hazard ratio (HR), 6.70; 95% confidence interval (CI), 1.91-23.5; p=0.003) and total amount of pleural effusion (≥30 mm) on thoracic CT (HR, 7.48; 95%CI, 1.76-31.8; p=0.006) were risk factors for empyema. Sensitivity, specificity, positive predictive value, and negative predictive value of the presence of both split pleura sign and total amount of pleural effusion (≥30 mm) on thoracic CT for CPPE/empyema were 79.4%, 80.9%, 75%, and 84.4%, respectively, with an area under the curve of 0.801 on receiver operating characteristic curve analysis. Conclusion This study showed a high diagnostic yield of the split pleura sign and total amount of pleural fluid (≥30 mm) on thoracic CT that is useful and simple for discriminating between CPPE/empyema and PPE prior to diagnostic thoracentesis. PMID:26076488

Nanostructured hematite for photoelectrochemical water splitting

NASA Astrophysics Data System (ADS)

Ling, Yichuan

Solar water splitting is an environmentally friendly reaction of producing hydrogen gas. Since Honda and Fujishima first demonstrated solar water splitting in 1972 by using semiconductor titanium dioxide (TiO2) as photoanode in a photoelectrochemical (PEC) cell, extensive efforts have been invested into improving the solar-to-hydrogen (STH) conversion efficiency and lower the production cost of photoelectrochemical devices. In the last few years, hematite (alpha-Fe2O3) nanostructures have been extensively studied as photoanodes for PEC water splitting. Although nanostructured hematite can improve its photoelectrochemical water splitting performance to some extent, by increasing active sites for water oxidation and shortening photogenerated hole path length to semiconductor/electrolyte interface, the photoactivity of pristine hematite nanostructures is still limited by a number of factors, such as poor electrical conductivities and slow oxygen evolution reaction kinetics. Previous studies have shown that tin (Sn) as an n-type dopant can substantially enhance the photoactivity of hematite photoanodes by modifying their optical and electrical properties. In this thesis, I will first demonstrate an unintentional Sn-doping method via high temperature annealing of hematite nanowires grown on fluorine-doped tin oxide (FTO) substrate to enhance the donor density. In addition to introducing extrinsic dopants into semiconductors, the carrier densities of hematite can also be enhanced by creating intrinsic defects. Oxygen vacancies function as shallow donors for a number of hematite. In this regard, I have investigated the influence of oxygen content on thermal decomposition of FeOOH to induce oxygen vacancies in hematite. In the end, I have studied low temperature activation of hematite nanostructures.

Quantum Chemical Calculations of Torsionally Mediated Hyperfine Splittings in States of E Symmetry of Acetaldehyde (CH_{3}CHO)

NASA Astrophysics Data System (ADS)

Xu, Li-Hong; Reid, Elias M.; Guislain, Bradley; Hougen, Jon T.; Alekseev, E. A.; Krapivin, Igor

2017-06-01

Hyperfine splittings in methanol have been revisited in three recent publications. (i) Coudert et al. [JCP 143 (2015) 044304] published an analysis of splittings observed in the low-J range. They calculated 32 spin-rotation, 32 spin-spin, and 16 spin-torsion hyperfine constants using the ACES2 package. Three of these constants were adjusted to fit hyperfine patterns for 12 transitions. (ii) Three present authors and collaborators [JCP 145 (2016) 024307] analyzed medium to high-J experimental Lamb-dip measurements in methanol and presented a theoretical spin-rotation explanation that was based on torsionally mediated spin-rotation hyperfine operators. These contain, in addition to the usual nuclear spin and overall rotational operators, factors in the torsional angle α of the form {e^{plusmn;{inα}}}. Such operators have non-zero matrix elements between the two components of a torsion-rotation ^{tr}E state, but have zero matrix elements within a ^{tr}A state. More than 55 hyperfine splittings were successfully fitted using three parameters and the fitted values agree well with ab initio values obtained in (i). (iii) Lankhaar et al. [JCP 145 (2016) 244301] published a reanalysis of the data set from (i), using CFOUR recalculated hyperfine constants based on their rederivation of the relevant expressions. They explain why their choice of fixed and floated parameters leads to numerical values for all parameters that seem to be more physical than those in (i). The results in (ii) raise the question of whether large torsionally-mediated spin-rotation splittings will occur in other methyl-rotor-containing molecules. This abstract presents ab initio calculations of torsionally mediated hyperfine splittings in the E states of acetaldehyde using the same three operators as in (ii) and spin-rotation constants computed by Gaussian09. We explored the first 13 K states for J from 10 to 40 and ν_{t} = 0, 1, and 2. Our calculations indicate that hyperfine splittings in CH_{3}CHO are just below current measurement capability. This conclusion is confirmed by available experimental measurements.

Plucking a hydrogen bond: A near infrared study of all four intermolecular modes in (DF)2

NASA Astrophysics Data System (ADS)

Davis, Scott; Anderson, David T.; Nesbitt, David J.

1996-10-01

The near ir combination band spectra of supersonically cooled (DF)2 in the 2900 to 3300 cm-1 region have been recorded with a high resolution slit jet spectrometer. Twelve vibration-rotation-tunneling (VRT) bands are observed, representing each of the four intermolecular modes (van der Waals stretch ν4, geared bend ν5, out-of-plane torsion ν6, and antigeared bend ν3) built as combination bands on either the ν1 (free) or ν2 (bound) DF stretches. Analysis of the rotationally resolved spectra provide spectroscopic constants, intermolecular frequencies, tunneling splittings, and predissociation rates as a function of both intra- and intermolecular excitation. The intermolecular frequencies demonstrate a small but systematic dependence on intramolecular mode, which is exploited to yield frequency predictions relevant to far-ir studies, as well as facilitate direct comparison with full 6-D quantum calculations on trial potential surfaces. The tunneling splittings demonstrate a much stronger dependence upon intermolecular mode, increasing by as much as an order of magnitude for geared bend excitation. Conversely, high resolution line shape analysis reveals that vibrational predissociation broadening is only modestly affected by intermolecular excitation, and instead exhibits mode specific behavior controlled predominantly by intramolecular excitation. Detailed H/D isotopic vibrational shifts are obtained by comparison with previous combination band studies of all four intermolecular modes in (HF)2. In contrast to the strong state mixing previously observed for (HF)2, the van der Waals stretch and geared bend degrees of freedom are largely decoupled in (DF)2, due to isotopically ``detuning'' of resonances between bend-stretch intermolecular vibrations. Four-dimensional quantum calculations of the (HF)2 and (DF)2 eigenfunctions indicate that the isotopic dependence of this bend-stretch resonance behavior is incorrectly predicted by current hydrogen bond potential surfaces.

Temperature Dependence of Molecular Line Strengths and Fei 1565 nm Zeeman Splitting in a Sunspot

NASA Astrophysics Data System (ADS)

Penn, M. J.; Walton, S.; Chapman, G.; Ceja, J.; Plick, W.

2003-03-01

Spectroscopic observations at 1565 nm were made in the eastern half of the main umbra of NOAA 9885 on 1 April 2002 using the National Solar Observatory McMath-Pierce Telescope at Kitt Peak with a tip-tilt image stabilization system and the California State University Northridge-National Solar Observatory infrared camera. The line depth of the OH blend at 1565.1 nm varies with the observed continuum temperature; the variation fits previous observations except that the continuum temperature is lower by 600 K. The equivalent width of the OH absorption line at 1565.2 nm shows a temperature dependence similar to previously published umbral molecular observations at 640 nm. A simple model of expected OH abundance based upon an ionization analogy to molecular dissociation is produced and agrees well with the temperature variation of the line equivalent width. A CN absorption line at 1564.6 nm shows a very different temperature dependence, likely due to complicated formation and destruction processes. Nonetheless a numerical fit of the temperature variation of the CN equivalent width is presented. Finally a comparison of the Zeeman splitting of the Fei 1564.8 nm line with the sunspot temperature derived from the continuum intensity shows an umbra somewhat cooler for a given magnetic field strength than previous comparisons using this infrared 1564.8 nm line, but consistent with these previous infrared measurements the umbra is hotter for a given magnetic field strength than magnetic and temperature measurements at 630.2 nm would suggest. Differences between the 630.2 nm and 1564.8 nm umbral temperature and magnetic field relations are explained with the different heights of formation of the lines and continua at these wavelengths.

Modeling the magnetic properties of lanthanide complexes: relationship of the REC parameters with Pauling electronegativity and coordination number.

PubMed

Baldoví, José J; Gaita-Ariño, Alejandro; Coronado, Eugenio

2015-07-28

In a previous study, we introduced the Radial Effective Charge (REC) model to study the magnetic properties of lanthanide single ion magnets. Now, we perform an empirical determination of the effective charges (Zi) and radial displacements (Dr) of this model using spectroscopic data. This systematic study allows us to relate Dr and Zi with chemical factors such as the coordination number and the electronegativities of the metal and the donor atoms. This strategy is being used to drastically reduce the number of free parameters in the modeling of the magnetic and spectroscopic properties of f-element complexes.

High Resolution Far Infrared Fourier Transform Spectroscopy of the NH_2 Radical.

NASA Astrophysics Data System (ADS)

Martin-Drumel, M. A.; Pirali, O.; Balcon, D.; Vervloet, M.

2011-06-01

First identified toward Sgr B2, the NH_2 radical has recently been detected in the interstellar medium by the HIFI instrument on board of Herschel. Despite the fact that this radical has not been detected in brown dwarfs and exoplanets yet, it is already included in physical and chemical models of those environments (temperature higher than 2000 K expected in several objects). Its detection in those objects will depend on the existence of a reliable high temperature and high resolution spectroscopic database on the NH_2 radical.The absorption spectrum of NH_2 has been recorded between 15 and 700 Cm-1 at the highest resolution available using the Bruker IFS125HR Fourier transform interferometer connected to the far infrared AILES beamline at SOLEIL (R=0.001 Cm-1). The radical was produced by an electrical discharge (DC) through a continuous flow of NH_3 and He using the White-type discharge cell developped on the beamline (optical path: 24m). Thanks to the brilliance of the synchrotron radiation, more than 700 pure rotational transitions of NH_2 have been identified with high N values (NMax=25) in its fundamental and first excited vibrational modes. By comparison to the previous FT spectroscopic study on that radical in the FIR spectral range, asymmetric splitting as well as fine and hyperfine structure have been resolved for several transitions. E. F. Van Dishoeck, D. J. Jansen, P. Schilke, T. G. Phillips The Astrophysical Journal 416, L83-L86 (1993) C. M. Persson, J. H. Black, J. Cernicharo et al. Astronomy and Astrophysics 521, L45 (2010) K. Lodders and B. Fegley, Jr Icarus 155, 393-424 (2002) I. Morino and K. Kawaguchi Journal of Molecular Spectroscopy 182, 428-438 (1997)

High-Resolution Echo-Planar Spectroscopic Imaging of the Human Calf

PubMed Central

Weis, Jan; Bruvold, Morten; Ortiz-Nieto, Francisco; Ahlström, Håkan

2014-01-01

Background This study exploits the speed benefits of echo-planar spectroscopic imaging (EPSI) to acquire lipid spectra of skeletal muscle. The main purpose was to develop a high-resolution EPSI technique for clinical MR scanner, to visualise the bulk magnetic susceptibility (BMS) shifts of extra-myocellular lipid (EMCL) spectral lines, and to investigate the feasibility of this method for the assessment of intra-myocellular (IMCL) lipids. Methods The study group consisted of six healthy volunteers. A two dimensional EPSI sequence with point-resolved spectroscopy (PRESS) spatial localization was implemented on a 3T clinical MR scanner. Measurements were performed by means of 64×64 spatial matrix and nominal voxel size 3×3×15 mm3. The total net measurement time was 3 min 12 sec for non-water-suppressed (1 acquisition) and 12 min 48 sec for water-suppressed scans (4 acquisitions). Results Spectra of the human calf had a very good signal-to-noise ratio and linewidths sufficient to differentiate IMCL resonances from EMCL. The use of a large spatial matrix reduces inter-voxel signal contamination of the strong EMCL signals. Small voxels enabled visualisation of the methylene EMCL spectral line splitting and their BMS shifts up to 0.5 ppm relative to the correspondent IMCL line. The mean soleus muscle IMCL content of our six volunteers was 0.30±0.10 vol% (range 0.18–0.46) or 3.6±1.2 mmol/kg wet weight (range: 2.1–5.4). Conclusion This study demonstrates that high-spatial resolution PRESS EPSI of the muscle lipids is feasible on standard clinical scanners. PMID:24498129

Development of an in-line Raman spectroscopic method for continuous API quantification during twin-screw wet granulation.

PubMed

Harting, Julia; Kleinebudde, Peter

2018-04-01

Raman spectroscopy was evaluated as a process analytical technology (PAT) tool for continuous API quantification during twin-screw wet granulation. Therefore, a Raman probe was implemented in front of the granulator barrel. This setup enabled the collection of Raman spectra upon a constant granule flow. To develop an in-line PLS calibration model, eight binary mixtures of the API and lactose monohydrate with API contents between 5 and 50% were pre-blended and granulated in a twin-screw granulator with a screw speed of 150 rpm and a powder feed rate of 40 g/min. Water was used as a granulation liquid with different liquid to solid ratios depending on the API content. Ibuprofen and diclofenac sodium were chosen as model drugs and separated PLS models were built for each API. The predictive performance of the developed PLS models was determined by granulating and monitoring new test samples containing different API concentrations. This evaluation showed that the models were able to predict the API concentration with an RMSEP of 0.59% for ibuprofen and 1.5% for diclofenac sodium. In a second part, the developed in-line Raman spectroscopic method was used to determine the API concentration during a split feeding process. Therefore, the API and lactose monohydrate were added by two independently adjustable feeders into the twin-screw granulator barrel. The in-line spectroscopy analysis which was verified by UV-analysis indicated that the mixing ability of the twin-screw granulator was good for the used settings and all adjusted API concentrations. Copyright © 2018 Elsevier B.V. All rights reserved.

Water Splitting with Series-Connected Polymer Solar Cells.

PubMed

Esiner, Serkan; van Eersel, Harm; van Pruissen, Gijs W P; Turbiez, Mathieu; Wienk, Martijn M; Janssen, René A J

2016-10-12

We investigate light-driven electrochemical water splitting with series-connected polymer solar cells using a combined experimental and modeling approach. The expected maximum solar-to-hydrogen conversion efficiency (η STH ) for light-driven water splitting is modeled for two, three, and four series-connected polymer solar cells. In the modeling, we assume an electrochemical water splitting potential of 1.50 V and a polymer solar cell for which the external quantum efficiency and fill factor are both 0.65. The minimum photon energy loss (E loss ), defined as the energy difference between the optical band gap (E g ) and the open-circuit voltage (V oc ), is set to 0.8 eV, which we consider a realistic value for polymer solar cells. Within these approximations, two series-connected single junction cells with E g = 1.73 eV or three series-connected cells with E g = 1.44 eV are both expected to give an η STH of 6.9%. For four series-connected cells, the maximum η STH is slightly less at 6.2% at an optimal E g = 1.33 eV. Water splitting was performed with series-connected polymer solar cells using polymers with different band gaps. PTPTIBDT-OD (E g = 1.89 eV), PTB7-Th (E g = 1.56 eV), and PDPP5T-2 (E g = 1.44 eV) were blended with [70]PCBM as absorber layer for two, three, and four series-connected configurations, respectively, and provide η STH values of 4.1, 6.1, and 4.9% when using a retroreflective foil on top of the cell to enhance light absorption. The reasons for deviations with experiments are analyzed and found to be due to differences in E g and E loss . Light-driven electrochemical water splitting was also modeled for multijunction polymer solar cells with vertically stacked photoactive layers. Under identical assumptions, an η STH of 10.0% is predicted for multijunction cells.

A Polarization-Dependent Normal Incident Quantum Cascade Detector Enhanced Via Metamaterial Resonators.

PubMed

Wang, Lei; Zhai, Shen-Qiang; Wang, Feng-Jiao; Liu, Jun-Qi; Liu, Shu-Man; Zhuo, Ning; Zhang, Chuan-Jin; Wang, Li-Jun; Liu, Feng-Qi; Wang, Zhan-Guo

2016-12-01

The design, fabrication, and characterization of a polarization-dependent normal incident quantum cascade detector coupled via complementary split-ring metamaterial resonators in the infrared regime are presented. The metamaterial structure is designed through three-dimensional finite-difference time-domain method and fabricated on the top metal contact, which forms a double-metal waveguide together with the metallic ground plane. With normal incidence, significant enhancements of photocurrent response are obtained at the metamaterial resonances compared with the 45° polished edge coupling device. The photocurrent response enhancements exhibit clearly polarization dependence, and the largest response enhancement factor of 165% is gained for the incident light polarized parallel to the split-ring gap.

Isolation, spectroscopic and density functional theory studies of 7-(4-methoxyphenyl)-9H-furo[2,3-f]chromen-9-one: a new flavonoid from the bark of Millettia ovalifolia.

PubMed

Taj Ur Rahman; Arfan, Mohammad; Mahmood, Tariq; Liaqat, Wajiha; Gilani, Mazhar Amjad; Uddin, Ghias; Ludwig, Ralf; Zaman, Khair; Choudhary, M Iqbal; Khattak, Khanzadi Fatima; Ayub, Khurshid

2015-07-05

The phytochemical examination of chloroform soluble fraction (FX2) of methanolic extract of bark of Millettia ovalifolia yielded a new flavonoid; 7-(4-methoxyphenyl)-9H-furo [2,3-f]chromen-9-one (1). Compound 1 is characterized by spectroscopic analytical techniques such as UV, IR, 1D, 2D NMR spectroscopy, and mass spectrometry. A theoretical model is also developed for obtaining geometric, electronic and spectroscopic properties of 1. The geometry optimization and harmonic vibration simulations have been carried out at B3LYP/6-31G(d,p). The vibrational spectrum of compound 1 shows nice correlation with the experimental IR spectrum, through a scaling factor of 0.9613. (1)H and (13)C NMR chemical shifts are simulated using Cramer's re-parameterized function WP04 at 6-31G(d,p) basis set, and correlate nicely with the experimental chemical shifts. Copyright © 2015 Elsevier B.V. All rights reserved.

Molecules of significance in planetary aeronomy

NASA Technical Reports Server (NTRS)

Mohan, H.

1979-01-01

This monograph is basically devoted to spectroscopic information of the molecules of planetary interest. Only those molecules have been dealt with which have been confirmed spectroscopically to be present in the atmosphere of major planets of our solar system and play an important role in the aeronomy of the respective planets. An introduction giving the general conditions of planets and their atmospheres including the gaseous molecules is given. Some typical planetary spectra is presented and supported with a discussion on some basic concepts of optical absorption and molecular parameters that are important to the study of planetary atmospheres. Quantities like dipole moments, transition probabilities, Einstein coefficients and line strengths, radiative life times, absorption cross sections, oscillator strengths, line widths and profiles, equivalent widths, growth curves, bond strengths, electronic transition moments, Franck-Condon factors and r-centroids, etc., are discussed. Spectroscopic information and relevant data of 6 diatomic (HF, HCL, CO, H2, O2, N2) and 6 polyatomic (CO2, N2), O3, HeO, NH3, CH4) molecules are presented.

Isolation, spectroscopic and density functional theory studies of 7-(4-methoxyphenyl)-9H-furo[2,3-f]chromen-9-one: A new flavonoid from the bark of Millettia ovalifolia

NASA Astrophysics Data System (ADS)

Rahman, Taj Ur; Arfan, Mohammad; Mahmood, Tariq; Liaqat, Wajiha; Gilani, Mazhar Amjad; Uddin, Ghias; Ludwig, Ralf; Zaman, Khair; Choudhary, M. Iqbal; Khattak, Khanzadi Fatima; Ayub, Khurshid

2015-07-01

The phytochemical examination of chloroform soluble fraction (FX2) of methanolic extract of bark of Millettia ovalifolia yielded a new flavonoid; 7-(4-methoxyphenyl)-9H-furo [2,3-f]chromen-9-one (1). Compound 1 is characterized by spectroscopic analytical techniques such as UV, IR, 1D, 2D NMR spectroscopy, and mass spectrometry. A theoretical model is also developed for obtaining geometric, electronic and spectroscopic properties of 1. The geometry optimization and harmonic vibration simulations have been carried out at B3LYP/6-31G(d,p). The vibrational spectrum of compound 1 shows nice correlation with the experimental IR spectrum, through a scaling factor of 0.9613. 1H and 13C NMR chemical shifts are simulated using Cramer's re-parameterized function WP04 at 6-31G(d,p) basis set, and correlate nicely with the experimental chemical shifts.

High-pulse energy supercontinuum laser for high-resolution spectroscopic photoacoustic imaging of lipids in the 1650-1850 nm region.

PubMed

Dasa, Manoj Kumar; Markos, Christos; Maria, Michael; Petersen, Christian R; Moselund, Peter M; Bang, Ole

2018-04-01

We propose a cost-effective high-pulse energy supercontinuum (SC) source based on a telecom range diode laser-based amplifier and a few meters of standard single-mode optical fiber, with a pulse energy density as high as ~25 nJ/nm in the 1650-1850 nm regime (factor >3 times higher than any SC source ever used in this wavelength range). We demonstrate how such an SC source combined with a tunable filter allows high-resolution spectroscopic photoacoustic imaging and the spectroscopy of lipids in the first overtone transition band of C-H bonds (1650-1850 nm). We show the successful discrimination of two different lipids (cholesterol and lipid in adipose tissue) and the photoacoustic cross-sectional scan of lipid-rich adipose tissue at three different locations. The proposed high-pulse energy SC laser paves a new direction towards compact, broadband and cost-effective source for spectroscopic photoacoustic imaging.

Chemistry and spectroscopy of the Jovian atmosphere

NASA Technical Reports Server (NTRS)

Prinn, R. G.; Owen, T.

1976-01-01

A comprehensive review is given of the chemistry and spectroscopic studies of the Jovian atmosphere. Thermochemical equilibrium models for determining atmospheric composition are considered along with possible disequilibrating processes, and studies of the photochemistry of H2, CH4, NH3, H2S, and PH3 using the modeling methods are summarized. It is shown that photodissociation and advection are the major disequilibrating processes in Jupiter's atmosphere, that lightning and charged-particle bombardment are relatively minor factors in the planet's bulk chemistry, and that the existence of living organisms on the planet is highly improbable. Spectroscopic investigations of Jupiter are discussed, emphasizing recent observations of absorption bands due to CH4, NH3, H2, He, and D. Spectroscopic abundance determinations are examined for H2, HD, CH4, CH3D, NH3, C2H6, C2H2, and PH3. Upper limits are given for the abundances of several unobserved gases in the visible atmosphere, including H2S, HCl, SiH4, benzene, purines, pyrimidines, and their derivatives.

Artificial intelligence analysis of hyperspectral remote sensing data for management of water, weed, and nitrogen stresses in corn fields

NASA Astrophysics Data System (ADS)

Waheed, Tahir

This study investigated the possibility of using ground-based remotely sensed hyperspectral observations with a special emphasis on detection of water, weed and nitrogen stresses contributing towards in-season decision support for precision crop management (PCM). A three factor split-split-plot experiment, with four randomized blocks as replicates, was established during the growing seasons of 2003 and 2004. Corn (Zea mays L.) hybrid DKC42-22 was grown because this hybrid is a good performer on light soils in Quebec. There were twelve 12 x 12m plots in a block (one replication per treatment per block) and the total number of plots was 48. Water stress was the main factor in the experiment. A drip irrigation system was laid out and each block was split into irrigated and non-irrigated halves. The second main factor of the experiment was weeds with two levels i.e. full weed control and no weed control. Weed treatments were assigned randomly by further splitting the irrigated and non-irrigated sub-blocks into two halves. Each of the weed treatments was furthermore split into three equal sub-sub-plots for nitrogen treatments (third factor of the experiment). Nitrogen was applied at three levels i.e. 50, 150 and 250 kg N ha-1 (Quebec norm is between 120-160 kg N ha-1). The hyperspectral data were recorded (spectral resolution = 1 nm) mid-day (between 1000 and 1400 hours) with a FieldSpec FR spectroradiometer over a spectral range of 400-2500 run at three growth stages namely: early growth, tasseling and full maturity, in each of the growing season. There are two major original contributions in this thesis: First is the development of a hyperspectral data analysis procedure for separating visible (400-700 nm), near-infrared (700-1300 nm) and mid-infrared (1300-2500 nm) regions of the spectrum for use in discriminant analysis procedure. In addition, of all the spectral band-widths analyzed, seven waveband-aggregates were identified using STEPDISC procedure, which were the most effective for classifying combined water, weed, and nitrogen stress. The second contribution is the successful classification of hyperspectral observations acquired over an agricultural field, using three innovative artificial intelligence approaches; support vector machines (SVM), genetic algorithms (GA) and decision tree (DT) algorithms. These AI approaches were used to evaluate a combined effect of water, weed and nitrogen stresses in corn and of all the three AI approaches used, SVM produced the best results (overall accuracy ranging from 88% to 100%). The general conclusion is that the conventional statistical and artificial intelligence techniques used in this study are all useful for quickly mapping combined affects of irrigation, weed and nitrogen stresses (with overall accuracies ranging from 76% to 100%). These approaches have strong potential and are of great benefit to those investigating the in-season impact of irrigation, weed and nitrogen management for corn crop production and other environment related challenges.

Concentric Rings K-Space Trajectory for Hyperpolarized 13C MR Spectroscopic Imaging

PubMed Central

Jiang, Wenwen; Lustig, Michael; Larson, Peder E.Z.

2014-01-01

Purpose To develop a robust and rapid imaging technique for hyperpolarized 13C MR Spectroscopic Imaging (MRSI) and investigate its performance. Methods A concentric rings readout trajectory with constant angular velocity is proposed for hyperpolarized 13C spectroscopic imaging and its properties are analyzed. Quantitative analyses of design tradeoffs are presented for several imaging scenarios. The first application of concentric rings on 13C phantoms and in vivo animal hyperpolarized 13C MRSI studies were performed to demonstrate the feasibility of the proposed method. Finally, a parallel imaging accelerated concentric rings study is presented. Results The concentric rings MRSI trajectory has the advantages of acquisition timesaving compared to echo-planar spectroscopic imaging (EPSI). It provides sufficient spectral bandwidth with relatively high SNR efficiency compared to EPSI and spiral techniques. Phantom and in vivo animal studies showed good image quality with half the scan time and reduced pulsatile flow artifacts compared to EPSI. Parallel imaging accelerated concentric rings showed advantages over Cartesian sampling in g-factor simulations and demonstrated aliasing-free image quality in a hyperpolarized 13C in vivo study. Conclusion The concentric rings trajectory is a robust and rapid imaging technique that fits very well with the speed, bandwidth, and resolution requirements of hyperpolarized 13C MRSI. PMID:25533653

Critical insight into the interaction of naringenin with human haemoglobin: A combined spectroscopic and computational modeling approaches

NASA Astrophysics Data System (ADS)

Maity, Subhajit; Chakraborty, Sandipan; Chakraborti, Abhay Sankar

2017-02-01

The present study demonstrates critical insight into the binding of a bioactive flavanone naringenin with normal human haemoglobin (NHb). Both spectrophotometric and spectrofluorimetric studies reveal that naringenin interacts with NHb. The binding affinity constant and number of binding sites appear to be approximately (1.5 ± 0.2) × 104 M-1 and 1, respectively. Static quenching seems to be an important factor in binding process, as evident from steady-state and time-resolved fluorescence spectroscopic studies. Far UV circular dichroism spectroscopy depicts that binding of naringenin to NHb causes no change in the secondary structure of the protein, which is also evident from Fourier transform infrared spectroscopic study. Free energy change (ΔG0) for naringenin-NHb interaction, determined by spectroscopic and isothermal calorimetric method, appears to be -5.67 kcal/mol and -6.90 kcal/mol, respectively, and is close to the docking energy -6.84 kcal/mol. Molecular docking suggests that naringenin binds near the cavity of the tetrameric heme protein, forming hydrogen bonds with surrounding amino acid residues. The binding site is away from the heme moieties, implicating naringenin binding does not affect the oxygen binding capacity of NHb, which makes the protein a suitable carrier of the flavonoid.

Test of the combined method for extracting spectroscopic factors in N =50 nuclei

NASA Astrophysics Data System (ADS)

Walter, David; Cizewski, J. A.; Baugher, T.; Ratkiewicz, A.; Pain, S. D.; Nunes, F. M.; Ahn, S.; Cerizza, G.; Jones, K. L.; Manning, B.; Thornsberry, C.

2017-09-01

The single-particle properties of nuclei near shell closures and r-process waiting points can be observed using single-nucleon transfer reactions with beams of rare isotopes. However, approximations have to be made about the final bound state to extract spectroscopic information. An approach to constrain the bound state potential has been proposed by Mukhamedzhanov and Nunes. At peripheral reaction energies ( 5 MeV/u), the ANC for the nucleus can be extracted, and is combined with the same reaction at higher energies ( 40 MeV/u). These combined measurements can constrain the shape of the bound state potential, and the spectroscopic factor can be reliably extracted. To test this method, the 86Kr(d , p) reaction was performed in inverse kinematics with a 35 MeV/u beam at the National Superconducting Cyclotron Laboratory (NSCL) with the ORRUBA and SIDAR arrays of silicon strip detectors coupled to the S800 spectrometer. Successful results supported the measurement of a radioactive ion beam of 84Se at 45 MeV/u at the NSCL to be measured at the end of 2017. Results from the 86Kr(d , p) measurement will be presented as well as preparations for the upcoming 84Se(d , p) measurement. This work is supported in part by the National Science Foundation and U.S. D.O.E.

A Novel Symmetrical Split Ring Resonator Based on Microstrip for Microwave Sensors

NASA Astrophysics Data System (ADS)

Alahnomi, Rammah A.; Zakaria, Z.; Ruslan, E.; Bahar, Amyrul Azuan Mohd

2016-02-01

In this paper, novel symmetrical split ring resonator (SSRR) is proposed as a suitable component for performance enhancement of microwave sensors. SSRR has been employed for enhancing the insertion loss of the microwave sensors. Using the same device area, we can achieve a high Q-factor of 141.54 from the periphery enhancement using Quasi-linear coupling SSRR, whereas loose coupling SSRR can achieve a Q-factor of 33.98 only. Using Quasi-linear coupling SSRR, the Q-factor is enhanced 4.16 times the loose coupling SSRR using the same device area. After the optimization was made, the SSRR sensor with loose coupling scheme has achieved a very high Qfactor value around 407.34 while quasi-linear scheme has achieved high Q-factor value of 278.78 at the same operating frequency with smaller insertion loss. Spurious passbands at 1st, 2nd, 3rd, and 4th harmonics have been completely suppressed well above -20 dB rejection level without visible changes in the passband filter characteristics. The most significant of using SSRR is to be used for various industrial applications such as food industry, quality control, bio-sensing medicine and pharmacy. The simulation result that Quasi-linear coupling SSRR is a viable candidate for the performance enhancement of microwave sensors has been verified.

The Smallest Form Factor UWB Antenna with Quintuple Rejection Bands for IoT Applications Utilizing RSRR and RCSRR.

PubMed

Rahman, MuhibUr; Park, Jung-Dong

2018-03-19

In this paper, we present the smallest form factor microstrip-fed ultra-wideband antenna with quintuple rejection bands for use in wireless sensor networks, mobile handsets, and Internet of things (IoT). Five rejection bands have been achieved at the frequencies of 3.5, 4.5, 5.25, 5.7, and 8.2 GHz, inseminating four rectangular complementary split ring resonators (RCSRRs) on the radiating patch and placing two rectangular split-ring resonators (RSRR) near the feedline-patch junction of the conventional ultra-wideband (UWB) antenna. The design guidelines of the implemented notched bands are provided at the desired frequency bands and analyzed. The measured results demonstrate that the proposed antenna delivers a wide impedance bandwidth from 3 to 11 GHz with a nearly omnidirectional radiation pattern, high rejection in the multiple notched-bands, and good radiation efficiency over the entire frequency band except at the notched frequencies. Simulated and measured response match well specifically at the stop-bands.

The Smallest Form Factor UWB Antenna with Quintuple Rejection Bands for IoT Applications Utilizing RSRR and RCSRR

PubMed Central

2018-01-01

In this paper, we present the smallest form factor microstrip-fed ultra-wideband antenna with quintuple rejection bands for use in wireless sensor networks, mobile handsets, and Internet of things (IoT). Five rejection bands have been achieved at the frequencies of 3.5, 4.5, 5.25, 5.7, and 8.2 GHz, inseminating four rectangular complementary split ring resonators (RCSRRs) on the radiating patch and placing two rectangular split-ring resonators (RSRR) near the feedline-patch junction of the conventional ultra-wideband (UWB) antenna. The design guidelines of the implemented notched bands are provided at the desired frequency bands and analyzed. The measured results demonstrate that the proposed antenna delivers a wide impedance bandwidth from 3 to 11 GHz with a nearly omnidirectional radiation pattern, high rejection in the multiple notched-bands, and good radiation efficiency over the entire frequency band except at the notched frequencies. Simulated and measured response match well specifically at the stop-bands. PMID:29562714

Effects of a modulated vortex structure on the diffraction dynamics of ring Airy Gaussian beams.

PubMed

Huang, Xianwei; Shi, Xiaohui; Deng, Zhixiang; Bai, Yanfeng; Fu, Xiquan

2017-09-01

The evolution of the ring Airy Gaussian beams with a modulated vortex in free space is numerically investigated. Compared with the unmodulated vortex, the unique property is that the beam spots first break up, and then gather. The evolution of the beams is influenced by the parameters of the vortex modulation, and the splitting phenomenon gets enhanced with multiple rings becoming light spots if the modulation depth increases. The symmetric branch pattern of the beam spots gets changed when the number of phase folds increases, and the initial modulation phase only impacts the angle of the beam spots. Moreover, a large distribution factor correlates to a hollow Gaussian vortex shape and weakens the splitting and gathering trend. By changing the initial parameters of the vortex modulation and the distribution factor, the peak intensity is greatly affected. In addition, the energy flow and the angular momentum are elucidated with the beam evolution features being confirmed.

Splitting the mind within the individual, nation and economy: reflections on the struggle for integration in post-war Germany.

PubMed

Plänkers, Tomas

2015-02-01

With respect to theorisations of psychical splitting, this paper explores the psychical mechanisms that underlie different forms of social splitting. The paper first outlines Freud's and Kleins different theorisations of the psychical mechanisms of splitting, where the good is split from the bad, the inside split from the outside, and the painful disavowed. I then consider the psychical mechanisms of splitting that underlie ideological supports of certain social systems, specifically that of National Socialist Germany, East Germany during the Cold War period, and neoliberal capitalism. Here, I consider ideological splits between good and evil, the relation between external and internal splits, the relation between geographical, social and internal splitting, as well as splitting as disavowal of the other. Copyright © 2015 Institute of Psychoanalysis.

Strong magnetic correlations to 900 K in single crystals of the trigonal antiferromagnetic insulators SrMn 2 As 2 and CaMn 2 As 2

DOE PAGES

Sangeetha, N. S.; Pandey, Abhishek; Benson, Zackery A.; ...

2016-09-15

Crystallographic, electronic transport, thermal, and magnetic properties are reported for SrMn 2As 2 and CaMn 2As 2 single crystals grown using Sn flux. Rietveld refinements of powder x-ray diffraction data show that the two compounds are isostructural and crystallize in the trigonal CaAl 2Si 2-type structure (space groupmore » $$P\\bar{3}$$ m1), in agreement with the literature. Electrical resistivity ρ versus temperature T measurements demonstrate insulating ground states for both compounds with activation energies of 85 meV for SrMn 2As 2 and 61 meV for CaMn 2As 2. In a local-moment picture, the Mn +2 3d 5 ions are expected to have high-spin S=5/2 with spectroscopic splitting factor g≈2. Magnetic susceptibility χ and heat capacity Cp measurements versus T reveal antiferromagnetic (AFM) transitions at T N=120(2) K and 62(3) K for SrMn 2As 2 and CaMn 2As 2, respectively. The anisotropic χ(T≤T N) data indicate that the hexagonal c axis is the hard axis and hence that the ordered Mn moments are aligned in the ab plane. Finally, the χ(T) data for both compounds and the Cp(T) for SrMn 2As 2 show strong dynamic short-range AFM correlations from T N up to at least 900 K, likely associated with quasi-two-dimensional connectivity of strong AFM exchange interactions between the Mn spins within the corrugated honeycomb Mn layers parallel to the ab plane.« less

Spectroscopic parameters, vibrational levels, transition dipole moments and transition probabilities of the 9 low-lying states of the NCl+ cation

NASA Astrophysics Data System (ADS)

Yin, Yuan; Shi, Deheng; Sun, Jinfeng; Zhu, Zunlue

2018-03-01

This work calculates the potential energy curves of 9 Λ-S and 28 Ω states of the NCl+ cation. The technique employed is the complete active space self-consistent field method, which is followed by the internally contracted multireference configuration interaction approach with the Davidson correction. The Λ-S states are X2Π, 12Σ+, 14Π, 14Σ+, 14Σ-, 24Π, 14Δ, 16Σ+, and 16Π, which are yielded from the first two dissociation channels of NCl+ cation. The Ω states are generated from these Λ-S states. The 14Π, 14Δ, 16Σ+, and 16Π states are inverted with the spin-orbit coupling effect included. The 14Σ+, 16Σ+, and 16Π states are very weakly bound, whose well depths are only several-hundred cm- 1. One avoided crossing of PECs occurs between the 12Σ+ and 22Σ+ states. To improve the quality of potential energy curves, core-valence correlation and scalar relativistic corrections are included. The potential energies are extrapolated to the complete basis set limit. The spectroscopic parameters and vibrational levels are calculated. The transition dipole moments are computed. The Franck-Condon factors, Einstein coefficients, and radiative lifetimes of many transitions are determined. The spectroscopic approaches are proposed for observing these states according to the transition probabilities. The spin-orbit coupling effect on the spectroscopic and vibrational properties is evaluated. The spectroscopic parameters, vibrational levels, transition dipole moments, as well as transition probabilities reported in this paper could be considered to be very reliable.

A STRICTLY CONTRACTIVE PEACEMAN-RACHFORD SPLITTING METHOD FOR CONVEX PROGRAMMING.

PubMed

Bingsheng, He; Liu, Han; Wang, Zhaoran; Yuan, Xiaoming

2014-07-01

In this paper, we focus on the application of the Peaceman-Rachford splitting method (PRSM) to a convex minimization model with linear constraints and a separable objective function. Compared to the Douglas-Rachford splitting method (DRSM), another splitting method from which the alternating direction method of multipliers originates, PRSM requires more restrictive assumptions to ensure its convergence, while it is always faster whenever it is convergent. We first illustrate that the reason for this difference is that the iterative sequence generated by DRSM is strictly contractive, while that generated by PRSM is only contractive with respect to the solution set of the model. With only the convexity assumption on the objective function of the model under consideration, the convergence of PRSM is not guaranteed. But for this case, we show that the first t iterations of PRSM still enable us to find an approximate solution with an accuracy of O (1/ t ). A worst-case O (1/ t ) convergence rate of PRSM in the ergodic sense is thus established under mild assumptions. After that, we suggest attaching an underdetermined relaxation factor with PRSM to guarantee the strict contraction of its iterative sequence and thus propose a strictly contractive PRSM. A worst-case O (1/ t ) convergence rate of this strictly contractive PRSM in a nonergodic sense is established. We show the numerical efficiency of the strictly contractive PRSM by some applications in statistical learning and image processing.

Representativeness of laboratory sampling procedures for the analysis of trace metals in soil.

PubMed

Dubé, Jean-Sébastien; Boudreault, Jean-Philippe; Bost, Régis; Sona, Mirela; Duhaime, François; Éthier, Yannic

2015-08-01

This study was conducted to assess the representativeness of laboratory sampling protocols for purposes of trace metal analysis in soil. Five laboratory protocols were compared, including conventional grab sampling, to assess the influence of sectorial splitting, sieving, and grinding on measured trace metal concentrations and their variability. It was concluded that grinding was the most important factor in controlling the variability of trace metal concentrations. Grinding increased the reproducibility of sample mass reduction by rotary sectorial splitting by up to two orders of magnitude. Combined with rotary sectorial splitting, grinding increased the reproducibility of trace metal concentrations by almost three orders of magnitude compared to grab sampling. Moreover, results showed that if grinding is used as part of a mass reduction protocol by sectorial splitting, the effect of sieving on reproducibility became insignificant. Gy's sampling theory and practice was also used to analyze the aforementioned sampling protocols. While the theoretical relative variances calculated for each sampling protocol qualitatively agreed with the experimental variances, their quantitative agreement was very poor. It was assumed that the parameters used in the calculation of theoretical sampling variances may not correctly estimate the constitutional heterogeneity of soils or soil-like materials. Finally, the results have highlighted the pitfalls of grab sampling, namely, the fact that it does not exert control over incorrect sampling errors and that it is strongly affected by distribution heterogeneity.

Influence of different gaps among the split targets with gradient potential to the discharge effects generated by hypervelocity impact

NASA Astrophysics Data System (ADS)

Tang, Enling; Zhao, Liangliang; Han, Yafei; Zhang, Qingming; Wang, Ruizhi; He, Liping; Liu, Shuhua

2018-04-01

Due to the actual situation of spacecraft surface' charging, such as convex corners, weld line, whalebone and a multiple-interfaces with different materials, all these are main factors leading to uneven charging of spacecraft surface, even creating gradient potential. If the charging spacecraft surface is impacted by debris or micrometeor, discharge effect induced by impacting will pose a serious threat to spacecraft in orbit. So realizing spacecraft charging surface with different potential differences and grasping discharge characteristics are a decisive importance at the different experimental conditions in laboratory. To simulate the spacecraft surface with a gradient potential in laboratory, spacecraft surface is split into different parts, which different gaps reserved in 2 adjacent surface is added resistance to create different potential surfaces, and the high potential surface as a impact target in the split targets. Charging circuit system realizing different gradient potential and discharge test system are built by ourselves, combining with two-stage light gas gun loading system, six sets of experiments have been performed about hypervelocity impact on 2A12 aluminum split targets with gradient potentials. In the experiments, gaps of 2A12 aluminum target are the same among different parts in every experiments, the gaps of the split targets are 2mm, 3mm, 5mm, 7mm and 10mm in the experiments, respectively. And the applied voltage is 300V in all the experiments and high-potential 2A12 aluminum plate as the impact target. The experiments have been performed at the impact velocity of about 3km/s and the incidence angles of 60o and 90o (between projectile flying trajectory and target plane), respectively. Voltage probe and current probes are used for acquiring discharge voltages and currents during the process of the impact. The experimental results showed that the discharge induced by impact plasma were generated among high and low-potential target by forming a plasma discharge channel. With the increasing of the gaps among the high and low-potential targets, the peak values of the discharge current decreased first then increased. When the gaps of split targets reached a certain value, the peak values of the discharge current decreased again. Meanwhile, the gaps among high and low-potential targets was 5mm, the peak value of the discharge current was the smallest. With the increasing of the gaps among the split targets, a primary discharge duration also increased. However, when the gaps among the split targets were greater than 5mm, increasing trend of discharge duration would slow down. When the gaps among the split targets were greater than 7mm, there was a secondary discharge phenomenon, and the physical explanations were given about the influence of different gaps among the split targets on the discharge effects created by hypervelocity impact.

Synthesis, characterization, vibrational spectroscopy, and factor group analysis of partially metal-doped phosphate materials

NASA Astrophysics Data System (ADS)

Sronsri, Chuchai; Boonchom, Banjong

2018-04-01

A simple precipitating method was used to synthesize effectively a partially metal-doped phosphate hydrate (Mn0.9Mg0.1HPO4·3H2O), whereas the thermal decomposition process of the above hydrate precursor was used to obtain Mn1.8Mg0.2P2O7 and LiMn0.9Mg0.1PO4 compounds under different conditions. To separate the overlapping thermal decomposition peak, a deconvolution technique was used, and the separated peak was applied to calculate the water content. The factor group splitting analysis was used to exemplify their vibrational spectra obtained from normal vibrations of HPO42-, H2O, P2O74- and PO43- functional groups. Further, the deconvoluted bending mode of water was clearly observed. Mn0.9Mg0.1HPO4·3H2O was observed in the orthorhombic crystal system with the space group of Pbca (D2h15). The formula units per unit cell were found to be eight (Z = 8), and the site symmetric type of HPO42- was observed as Cs. For the HPO42- unit, the correlation filed splitting analysis of type C3v - Cs - D2h15 was calculated and had 96 internal modes, whereas H2O in the above hydrate was symbolized as C2v - Cs - D2h15 and had 24 modes. The symbol C2v - Cs - C2h3 was used for the correlation filed splitting analysis of P2O74- in Mn1.8Mg0.2P2O7 (monoclinic, C2/m (C2h3), Z = 2, and 42 modes). Finally, the symbol Td - Cs - D2h16 was used for the correlation filed splitting analysis of PO43- in LiMn0.9Mg0.1PO4 (orthorhombic, Pnma (D2h16), Z = 4, and 36 modes).

StackSplit - a plugin for multi-event shear wave splitting analyses in SplitLab

NASA Astrophysics Data System (ADS)

Grund, Michael

2017-04-01

The SplitLab package (Wüstefeld et al., Computers and Geosciences, 2008), written in MATLAB, is a powerful and widely used tool for analysing seismological shear wave splitting of single event measurements. However, in many cases, especially temporary station deployments close to seaside or for recordings affected by strong anthropogenic noise, only multi-event approaches provide stable and reliable splitting results. In order to extend the original SplitLab environment for such analyses, I present the StackSplit plugin that can easily be implemented within the well accepted main program. StackSplit grants easy access to several different analysis approaches within SplitLab, including a new multiple waveform based inversion method as well as the most established standard stacking procedures. The possibility to switch between different analysis approaches at any time allows the user for the most flexible processing of individual multi-event splitting measurements for a single recording station. Besides the provided functions of the plugin, no other external program is needed for the multi-event analyses since StackSplit performs within the available SplitLab structure.

Influence of war on quantitative and qualitative changes in drug-induced mortality in Split-Dalmatia County, Croatia

PubMed Central

Marasović Šušnjara, Ivana; Definis Gojanović, Marija; Vodopija, Davor; Čapkun, Vesna; Smoljanović, Ankica

2011-01-01

Aim To study drug-induced mortality and characteristics of overdose deaths in the war (1991-1995), pre-war (1986-1990), and post-war period (1996-2000) in Split-Dalmatia County. Methods We retrospectively searched through Databases of the Department of Forensic Medicine, University Hospital Split, the national register of death records, the archives of the Split-Dalmatia County Police, and the Register of Treated Drug Addicts of the Croatian National Institute of Public Health, covering the period from 1986 to 2000, according to drug poisoning codes IX and X of the International Classification of Diseases. The indicators were statistically analyzed. Results There were 146 registered drug-induced deaths, with 136 (93%) deceased being men. The median age of all cases was 27 years (interquartile range 8). Most of them were single (70.6%), unemployed (44.6%), and secondary school graduates (69.2%). In the war period, there were 4.8 times more deaths than in the pre-war period (P = 0.014), and in the post-war period there were 5.2 times more deaths than in the pre-war period (P = 0.008). The most common site of death was the deceased person’s home. The toxicological analyses showed that 59 (61%) deaths were heroin related, alcohol use was found in 62 cases (42.5%), and multi-substance use was found in more than a half of the cases. In 133 (91.1%) cases, deaths were classified as unintentional, whereas 13 (8.9%) were classified as suicides. Conclusion The war, along with other risk factors, contributed to unfavorable developments related to drug abuse in Split-Dalmatia County, including the increase in the drug-induced mortality rate. PMID:21990081

Composition-graded nanowire solar cells fabricated in a single process for spectrum-splitting photovoltaic systems.

PubMed

Caselli, Derek; Liu, Zhicheng; Shelhammer, David; Ning, Cun-Zheng

2014-10-08

Nanomaterials such as semiconductor nanowires have unique features that could enable novel optoelectronic applications such as novel solar cells. This paper aims to demonstrate one such recently proposed concept: Monolithically Integrated Laterally Arrayed Multiple Band gap (MILAMB) solar cells for spectrum-splitting photovoltaic systems. Two cells with different band gaps were fabricated simultaneously in the same process on a single substrate using spatially composition-graded CdSSe alloy nanowires grown by the Dual-Gradient Method in a chemical vapor deposition system. CdSSe nanowire ensemble devices tested under 1 sun AM1.5G illumination achieved open-circuit voltages up to 307 and 173 mV and short-circuit current densities as high as 0.091 and 0.974 mA/cm(2) for the CdS- and CdSe-rich cells, respectively. The open-circuit voltages were roughly three times those of similar CdSSe film cells fabricated for comparison due to the superior optical quality of the nanowires. I-V measurements were also performed using optical filters to simulate spectrum-splitting. The open-circuit voltages and fill factors of the CdS-rich subcells were uniformly larger than the corresponding CdSe-rich cells for similar photon flux, as expected. This suggests that if all wires can be contacted, the wide-gap cell is expected to have greater output power than the narrow-gap cell, which is the key to achieving high efficiencies with spectrum-splitting. This paper thus provides the first proof-of-concept demonstration of simultaneous fabrication of MILAMB solar cells. This approach to solar cell fabrication using single-crystal nanowires for spectrum-splitting photovoltaics could provide a future low-cost high-efficiency alternative to the conventional high-cost high-efficiency tandem cells.

Integrating a Semitransparent, Fullerene-Free Organic Solar Cell in Tandem with a BiVO4 Photoanode for Unassisted Solar Water Splitting.

PubMed

Peng, Yuelin; Govindaraju, Gokul V; Lee, Dong Ki; Choi, Kyoung-Shin; Andrew, Trisha L

2017-07-12

We report an unassisted solar water splitting system powered by a diketopyrrolopyrrole (DPP)-containing semitransparent organic solar cell. Two major merits of this fullerene-free solar cell enable its integration with a BiVO 4 photoanode. First is the high open circuit voltage and high fill factor displayed by this single junction solar cell, which yields sufficient power to effect water splitting when serially connected to an appropriate electrode/catalyst. Second, the wavelength-resolved photoaction spectrum of the DPP-based solar cell has minimal overlap with that of the BiVO 4 photoanode, thus ensuring that light collection across these two components can be optimized. The latter feature enables a new water splitting device configuration wherein the solar cell is placed first in the path of incident light, before the BiVO 4 photoanode, although BiVO 4 has a wider bandgap. This configuration is accessed by replacing the reflective top electrode of the standard DPP-based solar cell with a thin metal film and an antireflection layer, thus rendering the solar cell semitransparent. In this configuration, incident light does not travel through the aqueous electrolyte to reach the solar cell or photoanode, and therefore, photon losses due to the scattering of water are reduced. Moreover, this new configuration allows the BiVO 4 photoanode to be back-illuminated, i.e., through the BiVO 4 /back contact interface, which leads to higher photocurrents compared to front illumination. The combination of a semitransparent single-junction solar cell and a BiVO 4 photoanode coated with oxygen evolution catalysts in a new device configuration yielded an unassisted solar water splitting system with a solar-to-hydrogen conversion efficiency of 2.2% in water.

Analysis of Septin Reorganization at Cytokinesis Using Polarized Fluorescence Microscopy

PubMed Central

McQuilken, Molly; Jentzsch, Maximilian S.; Verma, Amitabh; Mehta, Shalin B.; Oldenbourg, Rudolf; Gladfelter, Amy S.

2017-01-01

Septins are conserved filament-forming proteins that act in diverse cellular processes. They closely associate with membranes and, in some systems, components of the cytoskeleton. It is not well understood how filaments assemble into higher-order structures in vivo or how they are remodeled throughout the cell cycle. In the budding yeast S. cerevisiae, septins are found through most of the cell cycle in an hourglass organization at the mother-bud neck until cytokinesis when the collar splits into two rings that disassemble prior to the next cell cycle. Experiments using polarized fluorescence microscopy have suggested that septins are arranged in ordered, paired filaments in the hourglass and undergo a coordinated 90° reorientation during splitting at cytokinesis. This apparent reorganization could be due to two orthogonal populations of filaments disassembling and reassembling or being preferentially retained at cytokinesis. In support of this idea, we report a decrease in septin concentration at the mother-bud neck during cytokinesis consistent with other reports and the timing of the decrease depends on known septin regulators including the Gin4 kinase. We took a candidate-based approach to examine what factors control reorientation during splitting and used polarized fluorescence microscopy to screen mutant yeast strains deficient in septin interacting proteins. Using this method, we have linked known septin regulators to different aspects of the assembly, stability, and reorganization of septin assemblies. The data support that ring splitting requires Gin4 activity and an anillin-like protein Bud4, and normal accumulation of septins at the ring requires phosphorylation of Shs1. We found distinct regulatory requirements for septin organization in the hourglass compared to split rings. We propose that septin subpopulations can vary in their localization and assembly/disassembly behavior in a cell-cycle dependent manner at cytokinesis. PMID:28516085

Influence of war on quantitative and qualitative changes in drug-induced mortality in Split-Dalmatia County, Croatia.

PubMed

Marasovic Susnjara, Ivana; Definis Gojanovic, Marija; Vodopija, Davor; Capkun, Vesna; Smoljanovic, Ankica

2011-10-15

To study drug-induced mortality and characteristics of overdose deaths in the war (1991-1995), pre-war (1986-1990), and post-war period (1996-2000) in Split-Dalmatia County. We retrospectively searched through Databases of the Department of Forensic Medicine, University Hospital Split, the national register of death records, the archives of the Split-Dalmatia County Police, and the Register of Treated Drug Addicts of the Croatian National Institute of Public Health, covering the period from 1986 to 2000, according to drug poisoning codes IX and X of the International Classification of Diseases. The indicators were statistically analyzed. There were 146 registered drug-induced deaths, with 136 (93%) deceased being men. The median age of all cases was 27 years (interquartile range 8). Most of them were single (70.6%), unemployed (44.6%), and secondary school graduates (69.2%). In the war period, there were 4.8 times more deaths than in the pre-war period (P=0.014), and in the post-war period there were 5.2 times more deaths than in the pre-war period (P=0.008). The most common site of death was the deceased person's home. The toxicological analyses showed that 59 (61%) deaths were heroin related, alcohol use was found in 62 cases (42.5%), and multi-substance use was found in more than a half of the cases. In 133 (91.1%) cases, deaths were classified as unintentional, whereas 13 (8.9%) were classified as suicides. CONCLUSION; The war, along with other risk factors, contributed to unfavorable developments related to drug abuse in Split-Dalmatia County, including the increase in the drug-induced mortality rate.

Splitting of IVP bovine blastocyst affects morphology and gene expression of resulting demi-embryos during in vitro culture and in vivo elongation.

PubMed

Velasquez, Alejandra E; Castro, Fidel O; Veraguas, Daniel; Cox, Jose F; Lara, Evelyn; Briones, Mario; Rodriguez-Alvarez, Lleretny

2016-02-01

Embryo splitting might be used to increase offspring yield and for molecular analysis of embryo competence. How splitting affects developmental potential of embryos is unknown. This research aimed to study the effect of bovine blastocyst splitting on morphological and gene expression homogeneity of demi-embryos and on embryo competence during elongation. Grade I bovine blastocyst produced in vitro were split into halves and distributed in nine groups (3 × 3 setting according to age and stage before splitting; age: days 7-9; stage: early, expanded and hatched blastocysts). Homogeneity and survival rate in vitro after splitting (12 h, days 10 and 13) and the effect of splitting on embryo development at elongation after embryo transfer (day 17) were assessed morphologically and by RT-qPCR. The genes analysed were OCT4, SOX2, NANOG, CDX2, TP1, TKDP1, EOMES, and BAX. Approximately 90% of split embryos had a well conserved defined inner cell mass (ICM), 70% of the halves had similar size with no differences in gene expression 12 h after splitting. Split embryos cultured further conserved normal and comparable morphology at day 10 of development; this situation changes at day 13 when embryo morphology and gene expression differed markedly among demi-embryos. Split and non-split blastocysts were transferred to recipient cows and were recovered at day 17. Fifty per cent of non-split embryos were larger than 100 mm (33% for split embryos). OCT4, SOX2, TP1 and EOMES levels were down-regulated in elongated embryos derived from split blastocysts. In conclusion, splitting day-8 blastocysts yields homogenous demi-embryos in terms of developmental capability and gene expression, but the initiation of the filamentous stage seems to be affected by the splitting.

Upper Mantle Seismic Anisotropy Beneath West Antarctica from Shear Wave Splitting Analysis of POLENET/ANET Data

NASA Astrophysics Data System (ADS)

Accardo, N.; Wiens, D. A.; Hernandez, S.; Aster, R. C.; Nyblade, A.; Anandakrishnan, S.; Huerta, A. D.; Wilson, T. J.

2011-12-01

We constrain azimuthal anisotropy in the Antarctic upper mantle using shear wave splitting parameters obtained from teleseismic SKS, SKKS, and PKS phases recorded at 30 broad-band seismometers deployed in West Antarctica, and the Transantarctic Mountains as a part of POLENET/ANET. The first seismometers were deployed in late 2007 and additional seismometers were deployed in 2008 and 2009. The seismometers generally operate year-round using solar power, insulated boxes, and either rechargeable AGM or primary lithium batteries. We used an eigenvalue technique to linearize the rotated and shifted shear wave particle motions and determine the best splitting parameters. Robust windows around the individual phases were chosen using the Teanby cluster-analysis algorithm. We visually inspected all results and assigned a quality rating based on factors including signal-to-noise ratios, particle motions, and error contours. The best results for each station were then stacked to get an average splitting direction and delay time. The delay times range from 0.33 to 1.33 s, but generally average about 1 s. We conclude that the splitting results from anisotropy in the upper mantle, since the large splitting times cannot be accumulated in the relatively thin crust (20-30 km) of the region. Overall, fast directions in West Antarctica are at large angles to the direction of Antarctic absolute plate motion in either hotspot or no-net rotation frameworks, showing that the anisotropic fabric does not result from shear associated with the motion of Antarctica over the mantle. The West Antarctic fast directions are also much different than those found in East Antarctica by previous studies. We suggest that the East Antarctic splitting results from anisotropy frozen into the cold cratonic continental lithosphere, whereas West Antarctic splitting is related to Cenozoic tectonism. Stations within the West Antarctic Rift System (WARS), a region of Cenozoic extension, show fast directions subparallel to the inferred WARS extension direction. Stations located in the Ellsworth-Whitmore Mountains (EWM) show fast directions parallel to those found within WARS. Furthermore, results from WARS and from EWM all show relatively large splitting times of 0.6 - 1.33 s. These results suggest upper mantle anisotropy that results from mantle flow and deformation related to the extensional deformation of the region. Two stations were installed in the Pensacola Mountains which are located grid-north of the EWM. The results from this region deviate from the dominant fast orientation seen in WARS but appear to be approximately perpendicular to the strike of the mountain range. Stations in Marie Byrd Land (MBL) show inconsistent fast directions and a wide range of delay times (0.3 - 0.9 s), perhaps as a result of complex mantle fabric related to a possible MBL hotspot.

Chemical-clathrate hybrid hydrogen storage: storage in both guest and host.

PubMed

Strobel, Timothy A; Kim, Yongkwan; Andrews, Gary S; Ferrell, Jack R; Koh, Carolyn A; Herring, Andrew M; Sloan, E Dendy

2008-11-12

Hydrogen storage from two independent sources of the same material represents a novel approach to the hydrogen storage problem, yielding storage capacities greater than either of the individual constituents. Here we report a novel hydrogen storage scheme in which recoverable hydrogen is stored molecularly within clathrate cavities as well as chemically in the clathrate host material. X-ray diffraction and Raman spectroscopic measurements confirm the formation of beta-hydroquinone (beta-HQ) clathrate with molecular hydrogen. Hydrogen within the beta-HQ clathrate vibrates at considerably lower frequency than hydrogen in the free gaseous phase and rotates nondegenerately with splitting comparable to the rotational constant. Compared with water-based clathrate hydrate phases, the beta-HQ+H2 clathrate shows remarkable stability over a range of p-T conditions. Subsequent to clathrate decomposition, the host HQ was used to directly power a PEM fuel cell. With one H2 molecule per cavity, 0.61 wt % hydrogen may be stored in the beta-HQ clathrate cavities. When this amount is combined with complete dehydrogenation of the host hydroxyl hydrogens, the maximum hydrogen storage capacity increases nearly 300% to 2.43 wt %.

Vibrational spectroscopy of metal methanesulfonates: M = Na, Cs, Cu, Ag, Cd

NASA Astrophysics Data System (ADS)

Parker, Stewart F.; Zhong, Lisha

2018-04-01

In this work, we have used a combination of vibrational spectroscopy (infrared, Raman and inelastic neutron scattering) and periodic density functional theory to investigate six metal methanesulfonate compounds that exhibit four different modes of complexation of the methanesulfonate ion: ionic, monodentate, bidentate and pentadentate. We found that the transition energies of the modes associated with the methyl group (C-H stretches and deformations, methyl rock and torsion) are essentially independent of the mode of coordination. The SO3 modes in the Raman spectra also show little variation. In the infrared spectra, there is a clear distinction between ionic (i.e. not coordinated) and coordinated forms of the methanesulfonate ion. This is manifested as a splitting of the asymmetric S-O stretch modes of the SO3 moiety. Unfortunately, no further differentiation between the various modes of coordination: unidentate, bidentate etc … is possible with the compounds examined. While it is likely that such a distinction could be made, this will require a much larger dataset of compounds for which both structural and spectroscopic data are available than that available here.

Spectroscopic determination of crystal-field levels in CeRh2Si2 and CeRu2Si2 and of the 4f0 contributions in CeM2Si2 (M=Cu, Ru, Rh, Pd, and Au)

NASA Astrophysics Data System (ADS)

Willers, T.; Adroja, D. T.; Rainford, B. D.; Hu, Z.; Hollmann, N.; Körner, P. O.; Chin, Y.-Y.; Schmitz, D.; Hsieh, H. H.; Lin, H.-J.; Chen, C. T.; Bauer, E. D.; Sarrao, J. L.; McClellan, K. J.; Byler, D.; Geibel, C.; Steglich, F.; Aoki, H.; Lejay, P.; Tanaka, A.; Tjeng, L. H.; Severing, A.

2012-01-01

We have determined the ground-state wave functions and crystal-field-level schemes of CeRh2Si2 and CeRu2Si2 using linear polarized soft x-ray-absorption spectroscopy (XAS) and inelastic neutron scattering. We find large crystal-field splittings and ground-state wave functions which are made of mainly Jz = |±5/2> with some amount of |∓3/2> in both the compounds. The 4f0 contribution to the ground state of several members of the CeM2Si2 family with M=(Cu, Ru, Rh, Pd, and Au) has been determined with XAS, and the comparison reveals a trend concerning the delocalization of the f electrons. Absolute numbers are extracted from scaling to results from hard x-ray photoelectron spectroscopy on CeRu2Si2 by Yano [Phys. Rev. BPRBMDO1098-012110.1103/PhysRevB.77.035118 77, 035118 (2008)].

Novel Soft-Pion Theorem for Long-Range Nuclear Parity Violation.

PubMed

Feng, Xu; Guo, Feng-Kun; Seng, Chien-Yeah

2018-05-04

The parity-odd effect in the standard model weak neutral current reveals itself in the long-range parity-violating nuclear potential generated by the pion exchanges in the ΔI=1 channel with the parity-odd pion-nucleon coupling constant h_{π}^{1}. Despite decades of experimental and theoretical efforts, the size of this coupling constant is still not well understood. In this Letter, we derive a soft-pion theorem relating h_{π}^{1} and the neutron-proton mass splitting induced by an artificial parity-even counterpart of the ΔI=1 weak Lagrangian and demonstrate that the theorem still holds exact at the next-to-leading order in the chiral perturbation theory. A considerable amount of simplification is expected in the study of h_{π}^{1} by using either lattice or other QCD models following its reduction from a parity-odd proton-neutron-pion matrix element to a simpler spectroscopic quantity. The theorem paves the way to much more precise calculations of h_{π}^{1}, and thus a quantitative test of the strangeness-conserving neutral current interaction of the standard model is foreseen.

Multifrequency Pulsed EPR Studies of Biologically Relevant Manganese(II) Complexes

PubMed Central

Stich, T. A.; Lahiri, S.; Yeagle, G.; Dicus, M.; Brynda, M.; Gunn, A.; Aznar, C.; DeRose, V. J.; Britt, R. D.

2011-01-01

Electron paramagnetic resonance studies at multiple frequencies (MF EPR) can provide detailed electronic structure descriptions of unpaired electrons in organic radicals, inorganic complexes, and metalloenzymes. Analysis of these properties aids in the assignment of the chemical environment surrounding the paramagnet and provides mechanistic insight into the chemical reactions in which these systems take part. Herein, we present results from pulsed EPR studies performed at three different frequencies (9, 31, and 130 GHz) on [Mn(II)(H2O)6]2+, Mn(II) adducts with the nucleotides ATP and GMP, and the Mn(II)-bound form of the hammerhead ribozyme (MnHH). Through line shape analysis and interpretation of the zero-field splitting values derived from successful simulations of the corresponding continuous-wave and field-swept echo-detected spectra, these data are used to exemplify the ability of the MF EPR approach in distinguishing the nature of the first ligand sphere. A survey of recent results from pulsed EPR, as well as pulsed electron-nuclear double resonance and electron spin echo envelope modulation spectroscopic studies applied to Mn(II)-dependent systems, is also presented. PMID:22190766

Synthesis, characterization and photocatalytic performance of self-assembled mesoporous TiO₂ nanoparticles.

PubMed

Lin, Yuan-Chung; Liu, Shou-Heng; Syu, Han-Ren; Ho, Tsung-Han

2012-09-01

A facile synthesis route is reported for preparation of mesoporous TiO(2) nanoparticles (MT-x) through evaporation induced self-assembly by using Pluronic F127, titanium isopropoxide, and various amounts of ethanol as templating agents, titanium sources and solvents, respectively. A variety of different spectroscopic and analytical techniques, such as small- and large-angle powder X-ray diffraction (XRD), N(2) adsorption-desorption isotherms, transmission electron microscopy (TEM), Raman and Fourier transform infrared (FTIR) spectroscopies were used to characterize the physicochemical properties of various MT-x catalysts. Among the catalysts, MT-20 was found to have better mesostructures formed by the arrangement of anatase TiO(2) nanoparticles of ca. 17.3 nm with broad interparticle pore size distribution. Hydrogen generation from water splitting on MT-20 using visible light was enhanced by at least 8.7 times if compared with the conventional TiO(2) photocatalyst. The superior photocatalytic performances observed for the synthesized MT-20 may be attributed to the presence of unique nanostructures in the TiO(2) photocatalysts. Copyright © 2012 Elsevier B.V. All rights reserved.

Synthesis, spectroscopic, thermal and structural properties of [M(3-aminopyridine)2Ni(μ-CN)2(CN)2]n (M(II) = Co and Cu) heteropolynuclear cyano-bridged complexes

NASA Astrophysics Data System (ADS)

Kartal, Zeki

2016-01-01

Two novel cyano-bridged heteropolynuclear complexes, [Co(3-aminopyridine)2Ni(μ-CN)2(CN)2]n and [Cu(3-aminopyridine)2Ni(μ-CN)2(CN)2]n have been synthesized and characterized by elemental, thermal, FT-IR and FT-Raman spectroscopies. The structures of complexes have been determined by X-ray powder diffraction. The FT-IR and FT-Raman spectra of complexes have been recorded in the region of 3500-400 cm-1 and 3500-100 cm-1, respectively. General information was acquired about structural properties of these complexes from FT-IR and FT-Raman spectra by considering changes at characteristic peaks of the cyano group and 3AP. The splitting of the ν(Ctbnd N) stretching bands in the FT-IR spectra for complexes indicates the presence of terminal and bridging cyanides. The thermal behaviors of these complexes have been also investigated in the range of 25-950 °C using TG and DTG methods. Magnetic susceptibility measurements were made at room temperature using Gouy-balance.

Gas-phase synthesis and structure of monomeric ZnOH: a model species for metalloenzymes and catalytic surfaces.

PubMed

Zack, Lindsay N; Sun, Ming; Bucchino, Matthew P; Clouthier, Dennis J; Ziurys, Lucy M

2012-02-16

Monomeric ZnOH has been studied for the first time using millimeter and microwave gas-phase spectroscopy. ZnOH is important in surface processes and at the active site of the enzyme carbonic anhydrase. In the millimeter-wave direct-absorption experiments, ZnOH was synthesized by reacting zinc vapor, produced in a Broida-type oven, with water. In the Fourier-transform microwave measurements, ZnOH was produced in a supersonic jet expansion of CH(3)OH and zinc vapor, created by laser ablation. Multiple rotational transitions of six ZnOH isotopologues in their X(2)A' ground states were measured over the frequency range of 22-482 GHz, and splittings due to fine and hyperfine structure were resolved. An asymmetric top pattern was observed in the spectra, showing that ZnOH is bent, indicative of covalent bonding. From these data, spectroscopic constants and an accurate structure were determined. The Zn-O bond length was found to be similar to that in carbonic anhydrase and other model enzyme systems.

A Raman spectroscopic comparison of calcite and dolomite.

PubMed

Sun, Junmin; Wu, Zeguang; Cheng, Hongfei; Zhang, Zhanjun; Frost, Ray L

2014-01-03

Raman spectroscopy was used to characterize and differentiate the two minerals calcite and dolomite and the bands related to the mineral structure. The (CO3)(2-) group is characterized by four prominent Raman vibrational modes: (a) the symmetric stretching, (b) the asymmetric deformation, (c) asymmetric stretching and (d) symmetric deformation. These vibrational modes of the calcite and dolomite were observed at 1440, 1088, 715 and 278 cm(-1). The significant differences between the minerals calcite and dolomite are observed by Raman spectroscopy. Calcite shows the typical bands observed at 1361, 1047, 715 and 157 cm(-1), and the special bands at 1393, 1098, 1069, 1019, 299, 258 and 176 cm(-1) for dolomite are observed. The difference is explained on the basis of the structure variation of the two minerals. Calcite has a trigonal structure with two molecules per unit cell, and dolomite has a hexagonal structure. This is more likely to cause the splitting and distorting of the carbonate groups. Another cause for the difference is the cation substituting for Mg in the dolomite mineral. Copyright © 2013 Elsevier B.V. All rights reserved.

The millimeter wave spectrum of methyl cyanate: a laboratory study and astronomical search in space ⋆,⋆⋆

PubMed Central

Kolesniková, L.; Alonso, J. L.; Bermúdez, C.; Alonso, E. R.; Tercero, B.; Cernicharo, J.; Guillemin, J.-C.

2016-01-01

Aims The recent discovery of methyl isocyanate (CH3NCO) in Sgr B2(N) and Orion KL makes methyl cyanate (CH3OCN) a potential molecule in the interstellar medium. The aim of this work is to fulfill the first requirement for its unequivocal identification in space, i.e. the availability of transition frequencies with high accuracy. Methods The room-temperature rotational spectrum of methyl cyanate was recorded in the millimeter wave domain from 130 to 350 GHz. All rotational transitions revealed A-E splitting owing to methyl internal rotation and were globally analyzed using the ERHAM program. Results The data set for the ground torsional state of methyl cyanate exceeds 700 transitions within J″ = 10 – 35 and Ka″=0−13 and newly derived spectroscopic constants reproduce the spectrum close to the experimental uncertainty. Spectral features of methyl cyanate were then searched for in Orion KL, Sgr B2(N), B1-b, and TMC-1 molecular clouds. Upper limits to the column density of methyl cyanate are provided. PMID:27721514

Novel Soft-Pion Theorem for Long-Range Nuclear Parity Violation

NASA Astrophysics Data System (ADS)

Feng, Xu; Guo, Feng-Kun; Seng, Chien-Yeah

2018-05-01

The parity-odd effect in the standard model weak neutral current reveals itself in the long-range parity-violating nuclear potential generated by the pion exchanges in the Δ I =1 channel with the parity-odd pion-nucleon coupling constant hπ1 . Despite decades of experimental and theoretical efforts, the size of this coupling constant is still not well understood. In this Letter, we derive a soft-pion theorem relating hπ1 and the neutron-proton mass splitting induced by an artificial parity-even counterpart of the Δ I =1 weak Lagrangian and demonstrate that the theorem still holds exact at the next-to-leading order in the chiral perturbation theory. A considerable amount of simplification is expected in the study of hπ1 by using either lattice or other QCD models following its reduction from a parity-odd proton-neutron-pion matrix element to a simpler spectroscopic quantity. The theorem paves the way to much more precise calculations of hπ1, and thus a quantitative test of the strangeness-conserving neutral current interaction of the standard model is foreseen.

Lattice QCD spectroscopy for hadronic CP violation

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

de Vries, Jordy; Mereghetti, Emanuele; Seng, Chien -Yeah

Here, the interpretation of nuclear electric dipole moment (EDM) experiments is clouded by large theoretical uncertainties associated with nonperturbative matrix elements. In various beyond-the-Standard Model scenarios nuclear and diamagnetic atomic EDMs are expected to be dominated by CP-violating pion–nucleon interactions that arise from quark chromo-electric dipole moments. The corresponding CP-violating pion–nucleon coupling strengths are, however, poorly known. In this work we propose a strategy to calculate these couplings by using spectroscopic lattice QCD techniques. Instead of directly calculating the pion–nucleon coupling constants, a challenging task, we use chiral symmetry relations that link the pion–nucleon couplings to nucleon sigma terms andmore » mass splittings that are significantly easier to calculate. In this work, we show that these relations are reliable up to next-to-next-to-leading order in the chiral expansion in both SU(2) and SU(3) chiral perturbation theory. We conclude with a brief discussion about practical details regarding the required lattice QCD calculations and the phenomenological impact of an improved understanding of CP-violating matrix elements.« less

Matrix isolation infrared spectroscopic studies and density functional theory calculations of the MNN, (MN)2 (M = Y and La), and Y3NN molecules.

PubMed

Teng, Yun-Lei; Xu, Qiang

2008-04-24

The reactions of yttrium and lanthanum with dinitrogen were reinvestigated. Laser-ablated yttrium and lanthanum atoms were co-deposited at 4 K with dinitrogen in excess argon, and the low-temperature reactions of Y and La with N2 in solid argon were studied using infrared spectroscopy. The reaction products YNN, (YN)2, LaNN, and (LaN)2 were formed in the present experiments and characterized on the basis of 14N/15N isotopic shifts, mixed isotope splitting patterns, stepwise annealing, change of reagent concentration and laser energy, and comparison with theoretical predictions. Some assignments were made based on a previous report. Density functional theory calculations were performed on these systems to identify possible reaction products. The agreement between experimental and calculated vibrational frequencies, relative absorption intensities, and isotopic shifts of the MNN and (MN)2 (M = Y and La) molecules supports the identification of these molecules from the matrix infrared spectra. Plausible reaction mechanisms were proposed for the formation of these molecules along with tentative identification of the Y3NN molecule.

The Infrared-Optical Telescope (IRT) of the Exist Observatory

NASA Technical Reports Server (NTRS)

Kutyrev, Alexander; Bloom, Joshua; Gehrels, Neil; Golisano, Craig; Gong, Quan; Grindlay, Jonathan; Moseley, Samuel; Woodgate, Bruce

2010-01-01

The IRT is a 1.1m visible and infrared passively cooled telescope, which can locate, identify and obtain spectra of GRB afterglows at redshifts up to z 20. It will also acquire optical-IR, imaging and spectroscopy of AGN and transients discovered by the EXIST (The Energetic X-ray Imaging Survey Telescope). The IRT imaging and spectroscopic capabilities cover a broad spectral range from 0.32.2m in four bands. The identical fields of view in the four instrument bands are each split in three subfields: imaging, objective prism slitless for the field and objective prism single object slit low resolution spectroscopy, and high resolution long slit on single object. This allows the instrument, to do simultaneous broadband photometry or spectroscopy of the same object over the full spectral range, thus greatly improving the efficiency of the observatory and its detection limits. A prompt follow up (within three minutes) of the transient discovered by the EXIST makes IRT a unique tool for detection and study of these events, which is particularly valuable at wavelengths unavailable to the ground based observatories.

High Pressure Raman Spectroscopic Studies on CuInTe2 Quantum Dots

NASA Astrophysics Data System (ADS)

Yanxon, Howard; Kumar, Ravhi; HiPSEC-University of Nevada Las Vegas Team

High pressure Raman spectroscopy studies were performed on CuInTe2 Quantum Dots (QD) up to 7.7 GPa. At ambient conditions, the Raman modes of the QD loaded into a high-pressure diamond anvil cell (DAC) were observed at 125.1 cm-1 (A1 mode) and 142.8 cm-1 (B2 or E mode). As the pressure increases, the A1 mode starts to split above 2 GPa and shifts to the left as indication of a structural change. A pressure-induced phase transition was observed around 2.9 GPa due to the collapse of the modes with the appearance of a new Raman peaks. The phase transition observed in our experiments compare well with the characteristics of bulk and larger nanoparticles. Further, it could be concluded that the phase transition pressure observed mainly depends on the particle size. H.Y. thanks McNair foundation for fellowship award. He also acknowledges Melanie White, Jason Baker and Phuc Tran for help in the experiments. He thanks Michael Pravica for using the Raman facility.

A Raman spectroscopic comparison of calcite and dolomite

NASA Astrophysics Data System (ADS)

Sun, Junmin; Wu, Zeguang; Cheng, Hongfei; Zhang, Zhanjun; Frost, Ray L.

2014-01-01

Raman spectroscopy was used to characterize and differentiate the two minerals calcite and dolomite and the bands related to the mineral structure. The (CO3)2- group is characterized by four prominent Raman vibrational modes: (a) the symmetric stretching, (b) the asymmetric deformation, (c) asymmetric stretching and (d) symmetric deformation. These vibrational modes of the calcite and dolomite were observed at 1440, 1088, 715 and 278 cm-1. The significant differences between the minerals calcite and dolomite are observed by Raman spectroscopy. Calcite shows the typical bands observed at 1361, 1047, 715 and 157 cm-1, and the special bands at 1393, 1098, 1069, 1019, 299, 258 and 176 cm-1 for dolomite are observed. The difference is explained on the basis of the structure variation of the two minerals. Calcite has a trigonal structure with two molecules per unit cell, and dolomite has a hexagonal structure. This is more likely to cause the splitting and distorting of the carbonate groups. Another cause for the difference is the cation substituting for Mg in the dolomite mineral.

Spectroscopic Measurements of Hydrogen Ion Temperature During Divertor Recombination

NASA Astrophysics Data System (ADS)

Stotler, D. P.; Skinner, C. H.; Karney, C. F. F.

1998-11-01

We explore the possibility of using the neutral H_α spectral line profile to measure the ion temperature Ti in a recombining plasma. Since the H_α emissions due to recombination are larger than those due to other mechanisms, interference from non-recombining regions contributing to the chord integrated data is insignificant. A chord integrated, Doppler and Stark broadened H_α spectrum is simulated by the DEGAS 2 Monte Carlo neutral transport code(D. Stotler and C. Karney, Contrib. Plasma Phys.) 34, 392 (1994). using assumed plasma conditions. The application of a simple fitting procedure to this spectrum yields an average electron density ne and Ti consistent with the assumed plasma parameters if the spectrum is dominated by recombination from a region of modest ne variation. The interpretation of experimental data is complicated by Zeeman splitting and light reflection off surfaces. Ion temperature measurements by H_α spectroscopy appear feasible within the context of a model for the entire divertor plasma that takes these effects into account.

Improved Beam Diagnostic Spatial Calibration Using In-Situ Measurements of Beam Emission

NASA Astrophysics Data System (ADS)

Chrystal, C.; Burrell, K. H.; Pace, D. C.; Grierson, B. A.; Pablant, N. A.

2014-10-01

A new technique has been developed for determining the measurement geometry of the charge exchange recombination spectroscopy diagnostic (CER) on DIII-D. This technique removes uncertainty in the measurement geometry related to the position of the neutral beams when they are injecting power. This has been accomplished by combining standard measurements that use in-vessel calibration targets with spectroscopic measurements of Doppler shifted and Stark split beam emission to fully describe the neutral beam positions and CER views. A least squares fitting routine determines the measurement geometry consistent with all the calibration data. The use of beam emission measurements allows the position of the neutral beams to be determined in-situ by the same views that makeup the CER diagnostic. Results indicate that changes in the measurement geometry are required to create a consistent set of calibration measurements. However, changes in quantities derived from the geometry, e.g. ion temperature gradient and poloidal rotation, are small. Work supported by the US DOE under DE-FG02-07ER54917, DE-FC02-04ER54698, and DE-AC02-09H11466.

Lattice QCD spectroscopy for hadronic CP violation

DOE PAGES

de Vries, Jordy; Mereghetti, Emanuele; Seng, Chien -Yeah; ...

2017-01-16

Here, the interpretation of nuclear electric dipole moment (EDM) experiments is clouded by large theoretical uncertainties associated with nonperturbative matrix elements. In various beyond-the-Standard Model scenarios nuclear and diamagnetic atomic EDMs are expected to be dominated by CP-violating pion–nucleon interactions that arise from quark chromo-electric dipole moments. The corresponding CP-violating pion–nucleon coupling strengths are, however, poorly known. In this work we propose a strategy to calculate these couplings by using spectroscopic lattice QCD techniques. Instead of directly calculating the pion–nucleon coupling constants, a challenging task, we use chiral symmetry relations that link the pion–nucleon couplings to nucleon sigma terms andmore » mass splittings that are significantly easier to calculate. In this work, we show that these relations are reliable up to next-to-next-to-leading order in the chiral expansion in both SU(2) and SU(3) chiral perturbation theory. We conclude with a brief discussion about practical details regarding the required lattice QCD calculations and the phenomenological impact of an improved understanding of CP-violating matrix elements.« less

Effect of Doping on Surface Reactivity and Conduction Mechanism in Sm-doped CeO2 Thin Films

DOE PAGES

Yang, Nan; Belianinov, Alex; Strelcov, Evgheni; ...

2014-11-21

Scanning probe microscopy measurements show irreversible surface electrochemistry in Sm-doped CeO2 thin films, which depends on humidity, temperature and doping concentration. A systematic study by electrochemical strain microscopy (ESM) in samples with two different Sm content and in several working conditions allows disclosing the microscopic mechanism underlying the difference in water adsorption and splitting with subsequent proton liberation. We measure the behavior of the hysteresis loops by changing temperature and humidity, both in standard ESM configuration and using the first order reversal curve (FORC) method. Complementing our study with spectroscopic measurements by hard x-ray photoemission spectroscopy we find that watermore » incorporation is favored until the doping with Sm is too high to allow the presence of Ce3+. The influence of doping on the surface reactivity and conduction mechanism clearly emerges from all of our experimental results. We find that at lower Sm concentration proton conduction is prevalent, featured by lower activation energy and higher mobility. Defect concentrations determine the type of the prevalent charge carrier in a doping dependent manner.« less

Diffraction-based overlay metrology for double patterning technologies

NASA Astrophysics Data System (ADS)

Dasari, Prasad; Korlahalli, Rahul; Li, Jie; Smith, Nigel; Kritsun, Oleg; Volkman, Cathy

2009-03-01

The extension of optical lithography to 32nm and beyond is made possible by Double Patterning Techniques (DPT) at critical levels of the process flow. The ease of DPT implementation is hindered by increased significance of critical dimension uniformity and overlay errors. Diffraction-based overlay (DBO) has shown to be an effective metrology solution for accurate determination of the overlay errors associated with double patterning [1, 2] processes. In this paper we will report its use in litho-freeze-litho-etch (LFLE) and spacer double patterning technology (SDPT), which are pitch splitting solutions that reduce the significance of overlay errors. Since the control of overlay between various mask/level combinations is critical for fabrication, precise and accurate assessment of errors by advanced metrology techniques such as spectroscopic diffraction based overlay (DBO) and traditional image-based overlay (IBO) using advanced target designs will be reported. A comparison between DBO, IBO and CD-SEM measurements will be reported. . A discussion of TMU requirements for 32nm technology and TMU performance data of LFLE and SDPT targets by different overlay approaches will be presented.

Quasiparticle dynamics and spin-orbital texture of the SrTiO3 two-dimensional electron gas.

PubMed

King, P D C; McKeown Walker, S; Tamai, A; de la Torre, A; Eknapakul, T; Buaphet, P; Mo, S-K; Meevasana, W; Bahramy, M S; Baumberger, F

2014-02-27

Two-dimensional electron gases (2DEGs) in SrTiO3 have become model systems for engineering emergent behaviour in complex transition metal oxides. Understanding the collective interactions that enable this, however, has thus far proved elusive. Here we demonstrate that angle-resolved photoemission can directly image the quasiparticle dynamics of the d-electron subband ladder of this complex-oxide 2DEG. Combined with realistic tight-binding supercell calculations, we uncover how quantum confinement and inversion symmetry breaking collectively tune the delicate interplay of charge, spin, orbital and lattice degrees of freedom in this system. We reveal how they lead to pronounced orbital ordering, mediate an orbitally enhanced Rashba splitting with complex subband-dependent spin-orbital textures and markedly change the character of electron-phonon coupling, co-operatively shaping the low-energy electronic structure of the 2DEG. Our results allow for a unified understanding of spectroscopic and transport measurements across different classes of SrTiO3-based 2DEGs, and yield new microscopic insights on their functional properties.

Chromatographic behavior of zwitterionic enalapril-exploring the conditions for lipophilicity assessment.

PubMed

Gikas, Spyros; Tsopelas, Fotios; Giaginis, Costas; Dimitrakopoulos, John; Livadara, Theodora; Archontaki, Helen; Tsantili-Kakoulidou, Anna

2008-11-04

The chromatographic behavior of enalapril was investigated under different stationary and mobile phase conditions in an effort to unravel interferences in the underlying retention mechanism, which would affect its relation to octanol-water partitioning. Extrapolated retention factors, logk(w), were used as relevant chromatographic indices. The retention/pH profile was established and the peak split phenomenon, associated with cis/trans interconversion, was also monitored as a function of pH. The pH at maximum retention and minimum peak split occurrence was chosen for further investigation, so that the presence of zwitterionic structure was guaranteed and any effect of cis/trans interconversion could be ignored. Retention of zwitterionic enalapril was found to be very sensitive to mobile phase conditions in regard to organic modifier as well to the aqueous component. The use of morpholine-propanesulfonic acid (MOPS) as buffer and the presence of n-octanol as mobile phase additive proved critical factors for maximum suppression of secondary interactions. Nevertheless, the corresponding extrapolated retention factor was considerably larger than octanol-water logD value at the isoelectric point. However, logk(w) could be successfully converted to logD by means of a calibration equation established for ionized acidic compounds.

Non-Gaussian bias: insights from discrete density peaks

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

Desjacques, Vincent; Riotto, Antonio; Gong, Jinn-Ouk, E-mail: Vincent.Desjacques@unige.ch, E-mail: jinn-ouk.gong@apctp.org, E-mail: Antonio.Riotto@unige.ch

2013-09-01

Corrections induced by primordial non-Gaussianity to the linear halo bias can be computed from a peak-background split or the widespread local bias model. However, numerical simulations clearly support the prediction of the former, in which the non-Gaussian amplitude is proportional to the linear halo bias. To understand better the reasons behind the failure of standard Lagrangian local bias, in which the halo overdensity is a function of the local mass overdensity only, we explore the effect of a primordial bispectrum on the 2-point correlation of discrete density peaks. We show that the effective local bias expansion to peak clustering vastlymore » simplifies the calculation. We generalize this approach to excursion set peaks and demonstrate that the resulting non-Gaussian amplitude, which is a weighted sum of quadratic bias factors, precisely agrees with the peak-background split expectation, which is a logarithmic derivative of the halo mass function with respect to the normalisation amplitude. We point out that statistics of thresholded regions can be computed using the same formalism. Our results suggest that halo clustering statistics can be modelled consistently (in the sense that the Gaussian and non-Gaussian bias factors agree with peak-background split expectations) from a Lagrangian bias relation only if the latter is specified as a set of constraints imposed on the linear density field. This is clearly not the case of standard Lagrangian local bias. Therefore, one is led to consider additional variables beyond the local mass overdensity.« less

The role of alcohol in road traffic accidents with fatal outcome: 10-year period in Croatia Split-Dalmatia County.

PubMed

Sutlovic, Davorka; Scepanovic, Antonija; Bosnjak, Marinko; Versic-Bratincevic, Maja; Definis-Gojanovic, Marija

2014-01-01

The aim of the study was to investigate the relationship between alcohol consumption and fatal road traffic accidents that took place in Split-Dalmatia County (Croatia) during a 10-year period (from August 2001 to August 2011). A retrospective analysis of 474 autopsy reports was performed, with an emphasis on 337 toxicologal findings of blood alcohol concentration (BAC) and the mode of participation in traffic (driver, passenger, pedestrian, or cyclist). Relations between the BAC, the weekday on which death occurred, victim's age and gender, and differences according to 3 successive legislation periods within the observed time frame were analyzed. The BAC was measured by gas chromatography with headspace and flame ionization detection. Alcohol was regarded as a contributive death factor if BAC was positive; that is, higher than 0.5 g/kg. BAC was positive in 177 cases. Most often it was the car driver who had a positive BAC. Victims of traffic accidents were mostly male drivers, and those accidents were more often associated with alcohol consumption. Consumption of alcohol produced a significant increase in culpability. The results of our study show that alcohol remains one of the main contributing factors of traffic accidents in Split-Dalmatia County. Unfortunately, legislation changes regarding the allowed BAC did not cause any reduction in casualties among drivers driving under the influence of alcohol (DUIA). Chi-square test of the number of total driver victims and driver victims who were DUIA revealed no significant difference (P = .173).

Education That Is Multicultural for Urban Schools: Rationale and Recommendation.

ERIC Educational Resources Information Center

Grant, Carl A.

Diverse school populations, desegregation and integration, minority-majority group splits, institutional racism, and the singularity of school norms are significant factors which affect respect for individual differences within urban schools. These facts illustrate the need for adoption of education that is multicultural to effect systematic…

Dyscalculia and Other Learning Problems in Arithmetic: A Historical Perspective.

ERIC Educational Resources Information Center

Sharma, Mahesh C.

1986-01-01

Evidence on learning problems due to dyscalculia is surveyed. Definitions, factors responsible for dyscalculia, split-brain research and hemispheric roles, mathematics learning problems and personality, materials for instruction, and levels of knowing mathematics are among the topics discussed with an extensive list of references. (MNS)

Outdoor measurements of a photovoltaic system using diffractive spectrum-splitting and concentration

DOE PAGES

Mohammad, N.; Schulz, M.; Wang, P.; ...

2016-09-16

In a single-bandgap absorber, photons having energy less than the bandgap are not absorbed, while those having energy larger than the bandgap lose the excess energy via thermalization. We present outdoor measurements of a photovoltaic system that overcomes these losses via spectrum splitting and concentration using a planar diffractive optic. The system was comprised of the diffractive optic coupled with GaInP and CIGS solar cells. The optic provides a geometric concentration of 3X for each solar cell. It is easily fabricated by single-step grayscale lithography and it is ultra-thin with a maximum thickness of only 2.5μm. Electrical measurements under directmore » sunlight demonstrated an increase of ~25% in total output power compared to the reference case without spectrum splitting and concentration. Since different bandgaps are in the same plane, the proposed photovoltaic system successfully circumvents the lattice-matching and current-matching issues in conventional tandem multi-junction solar cells. As a result, this system is also tolerant to solar spectrum variation and fill-factor degradation of constitutive solar cells.« less

Outdoor measurements of a photovoltaic system using diffractive spectrum-splitting and concentration

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

Mohammad, N.; Schulz, M.; Wang, P.

In a single-bandgap absorber, photons having energy less than the bandgap are not absorbed, while those having energy larger than the bandgap lose the excess energy via thermalization. We present outdoor measurements of a photovoltaic system that overcomes these losses via spectrum splitting and concentration using a planar diffractive optic. The system was comprised of the diffractive optic coupled with GaInP and CIGS solar cells. The optic provides a geometric concentration of 3X for each solar cell. It is easily fabricated by single-step grayscale lithography and it is ultra-thin with a maximum thickness of only 2.5μm. Electrical measurements under directmore » sunlight demonstrated an increase of ~25% in total output power compared to the reference case without spectrum splitting and concentration. Since different bandgaps are in the same plane, the proposed photovoltaic system successfully circumvents the lattice-matching and current-matching issues in conventional tandem multi-junction solar cells. As a result, this system is also tolerant to solar spectrum variation and fill-factor degradation of constitutive solar cells.« less

Effective-mass model and magneto-optical properties in hybrid perovskites

PubMed Central

Yu, Z. G.

2016-01-01

Hybrid inorganic-organic perovskites have proven to be a revolutionary material for low-cost photovoltaic applications. They also exhibit many other interesting properties, including giant Rashba splitting, large-radius Wannier excitons, and novel magneto-optical effects. Understanding these properties as well as the detailed mechanism of photovoltaics requires a reliable and accessible electronic structure, on which models of transport, excitonic, and magneto-optical properties can be efficiently developed. Here we construct an effective-mass model for the hybrid perovskites based on the group theory, experiment, and first-principles calculations. Using this model, we relate the Rashba splitting with the inversion-asymmetry parameter in the tetragonal perovskites, evaluate anisotropic g-factors for both conduction and valence bands, and elucidate the magnetic-field effect on photoluminescence and its dependence on the intensity of photoexcitation. The diamagnetic effect of exciton is calculated for an arbitrarily strong magnetic field. The pronounced excitonic peak emerged at intermediate magnetic fields in cyclotron resonance is assigned to the 3D±2 states, whose splitting can be used to estimate the difference in the effective masses of electron and hole. PMID:27338834

Effective-mass model and magneto-optical properties in hybrid perovskites.

PubMed

Yu, Z G

2016-06-24

Hybrid inorganic-organic perovskites have proven to be a revolutionary material for low-cost photovoltaic applications. They also exhibit many other interesting properties, including giant Rashba splitting, large-radius Wannier excitons, and novel magneto-optical effects. Understanding these properties as well as the detailed mechanism of photovoltaics requires a reliable and accessible electronic structure, on which models of transport, excitonic, and magneto-optical properties can be efficiently developed. Here we construct an effective-mass model for the hybrid perovskites based on the group theory, experiment, and first-principles calculations. Using this model, we relate the Rashba splitting with the inversion-asymmetry parameter in the tetragonal perovskites, evaluate anisotropic g-factors for both conduction and valence bands, and elucidate the magnetic-field effect on photoluminescence and its dependence on the intensity of photoexcitation. The diamagnetic effect of exciton is calculated for an arbitrarily strong magnetic field. The pronounced excitonic peak emerged at intermediate magnetic fields in cyclotron resonance is assigned to the 3D±2 states, whose splitting can be used to estimate the difference in the effective masses of electron and hole.

Effective-mass model and magneto-optical properties in hybrid perovskites

NASA Astrophysics Data System (ADS)

Yu, Z. G.

2016-06-01

Hybrid inorganic-organic perovskites have proven to be a revolutionary material for low-cost photovoltaic applications. They also exhibit many other interesting properties, including giant Rashba splitting, large-radius Wannier excitons, and novel magneto-optical effects. Understanding these properties as well as the detailed mechanism of photovoltaics requires a reliable and accessible electronic structure, on which models of transport, excitonic, and magneto-optical properties can be efficiently developed. Here we construct an effective-mass model for the hybrid perovskites based on the group theory, experiment, and first-principles calculations. Using this model, we relate the Rashba splitting with the inversion-asymmetry parameter in the tetragonal perovskites, evaluate anisotropic g-factors for both conduction and valence bands, and elucidate the magnetic-field effect on photoluminescence and its dependence on the intensity of photoexcitation. The diamagnetic effect of exciton is calculated for an arbitrarily strong magnetic field. The pronounced excitonic peak emerged at intermediate magnetic fields in cyclotron resonance is assigned to the 3D±2 states, whose splitting can be used to estimate the difference in the effective masses of electron and hole.

Convergence of separate orbits for enhanced thermoelectric performance of layered ZrS2

NASA Astrophysics Data System (ADS)

Ding, Guangqian; Chen, Jinfeng; Yao, Kailun; Gao, Guoying

2017-07-01

Minimizing the band splitting energy to approach orbital degeneracy has been shown as a route to improved thermoelectric performance. This represents an open opportunity in some promising layered materials where there is a separation of p orbitals at the valence band edge due to the crystal field splitting. In this work, using ab initio calculations and semiclassical Boltzmann transport theory, we try to figure out how orbital degeneracy influences the thermoelectric properties of layered transition-metal dichalcogenide ZrS2. We tune the splitting energy by applying compressive biaxial strain, and find out that near-degeneration at the {{Γ }} point can be achieved for around 3% strain. As expected, the enhanced density-of-states effective mass results in an increased power factor. Interestingly, we also find a marked decline in the lattice thermal conductivity due to the effect of strain on phonon velocities and scattering. The two effects synergetically enhance the figure of merit. Our results highlight the convenience of exploring this optimization route in layered thermoelectric materials with band structures similar to that of ZrS2.

Solvent effect on FRET spectroscopic ruler

NASA Astrophysics Data System (ADS)

Qu, Songyuan; Liu, Chuanbo; Liu, Qiong; Wu, Wei; Du, Baoji; Wang, Jin

2018-03-01

A discrepancy has emerged in recent years between single-molecule Förster resonance energy transfer (smFRET) measurements and small angle X-ray scattering (SAXS) or small angle neutron scattering experiments in the study of unfolded or intrinsically disordered proteins in denaturing solutions. Despite significant advances that have been made in identifying various factors which may have contributed to the manifestation of the so-called smFRET-SAXS discrepancy, no consensus has been reached so far on its original source or eventual resolution. In this study, we investigate this problem from the perspective of the solvent effect on FRET spectroscopic ruler (SEFSR), a generic term we use to describe various solvent-dependent factors affecting the accuracy of the FRET experimental method that is known as a "spectroscopic ruler." Some factors belonging to SEFSR, such as direct dye-solvent interaction and labeling configuration, seem to have not received due attention regarding their significance in contributing to the discrepancy. We identify SEFSR by measuring a rigid segment of a double-stranded DNA in various solutions using the smFRET method and evaluate its relative importance in smFRET experiments by measuring segments of a single-stranded DNA and polyethylene glycol (PEG) in solutions. We find that SEFSR can produce non-negligible FRET-inferred interdye distance changes in various solutions, with an intensity following the Hofmeister series in ionic solutions and dependent on labeling configurations. SEFSR is found to be significant in GuHCl and urea solutions, which can fully cover the apparent expansion signal of dye-labeled PEG. Our findings suggest that SEFSR may have played an important role in contributing to the smFRET-SAXS discrepancy.

Spectroscopic ellipsometry and polarimetry for materials and systems analysis at the nanometer scale: state-of-the-art, potential, and perspectives

PubMed Central

Bergmair, Michael; Bruno, Giovanni; Cattelan, Denis; Cobet, Christoph; de Martino, Antonello; Fleischer, Karsten; Dohcevic-Mitrovic, Zorana; Esser, Norbert; Galliet, Melanie; Gajic, Rados; Hemzal, Dušan; Hingerl, Kurt; Humlicek, Josef; Ossikovski, Razvigor; Popovic, Zoran V.; Saxl, Ottilia

2009-01-01

This paper discusses the fundamentals, applications, potential, limitations, and future perspectives of polarized light reflection techniques for the characterization of materials and related systems and devices at the nanoscale. These techniques include spectroscopic ellipsometry, polarimetry, and reflectance anisotropy. We give an overview of the various ellipsometry strategies for the measurement and analysis of nanometric films, metal nanoparticles and nanowires, semiconductor nanocrystals, and submicron periodic structures. We show that ellipsometry is capable of more than the determination of thickness and optical properties, and it can be exploited to gain information about process control, geometry factors, anisotropy, defects, and quantum confinement effects of nanostructures. PMID:21170135

Algebraic techniques for diagonalization of a split quaternion matrix in split quaternionic mechanics

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

Jiang, Tongsong, E-mail: jiangtongsong@sina.com; Department of Mathematics, Heze University, Heze, Shandong 274015; Jiang, Ziwu

In the study of the relation between complexified classical and non-Hermitian quantum mechanics, physicists found that there are links to quaternionic and split quaternionic mechanics, and this leads to the possibility of employing algebraic techniques of split quaternions to tackle some problems in complexified classical and quantum mechanics. This paper, by means of real representation of a split quaternion matrix, studies the problem of diagonalization of a split quaternion matrix and gives algebraic techniques for diagonalization of split quaternion matrices in split quaternionic mechanics.

Dermal Influence on Epidermal Resurfacing during the Repair of Split Thickness Wounds.

DTIC Science & Technology

1983-08-15

by exposing purified platelets to thrombin also stimulated the proliferation of mooth muscle cells. They concluded that much of the growth-proanting...easily separated with forceps. The moist epidermis was placed on a microscope slide with the stratm corneum (and protruding hair shafts) against the glass...hcmogenate intradermally around the wound bed or using a viscous vehicle for the platelet factor, such as an ointment -based emollient. 3) The active factor

Influence of the large-small split effect on strategy choice in complex subtraction.

PubMed

Xiang, Yan Hui; Wu, Hao; Shang, Rui Hong; Chao, Xiaomei; Ren, Ting Ting; Zheng, Li Ling; Mo, Lei

2018-04-01

Two main theories have been used to explain the arithmetic split effect: decision-making process theory and strategy choice theory. Using the inequality paradigm, previous studies have confirmed that individuals tend to adopt a plausibility-checking strategy and a whole-calculation strategy to solve large and small split problems in complex addition arithmetic, respectively. This supports strategy choice theory, but it is unknown whether this theory also explains performance in solving different split problems in complex subtraction arithmetic. This study used small, intermediate and large split sizes, with each split condition being further divided into problems requiring and not requiring borrowing. The reaction times (RTs) for large and intermediate splits were significantly shorter than those for small splits, while accuracy was significantly higher for large and middle splits than for small splits, reflecting no speed-accuracy trade-off. Further, RTs and accuracy differed significantly between the borrow and no-borrow conditions only for small splits. This study indicates that strategy choice theory is suitable to explain the split effect in complex subtraction arithmetic. That is, individuals tend to choose the plausibility-checking strategy or the whole-calculation strategy according to the split size. © 2016 International Union of Psychological Science.

StackSplit - a plugin for multi-event shear wave splitting analyses in SplitLab

NASA Astrophysics Data System (ADS)

Grund, Michael

2017-08-01

SplitLab is a powerful and widely used tool for analysing seismological shear wave splitting of single event measurements. However, in many cases, especially temporary station deployments close to the noisy seaside, ocean bottom or for recordings affected by strong anthropogenic noise, only multi-event approaches provide stable and reliable splitting results. In order to extend the original SplitLab environment for such analyses, I present the StackSplit plugin that can easily be implemented within the well accepted main program. StackSplit grants easy access to several different analysis approaches within SplitLab, including a new multiple waveform based inversion method as well as the most established standard stacking procedures. The possibility to switch between different analysis approaches at any time allows the user for the most flexible processing of individual multi-event splitting measurements for a single recording station. Besides the provided functions of the plugin, no other external program is needed for the multi-event analyses since StackSplit performs within the available SplitLab structure which is based on MATLAB. The effectiveness and use of this plugin is demonstrated with data examples of a long running seismological recording station in Finland.

Progressive Oxidation of Pyrite in Five Bituminous Coal Samples: An As XANES and 57Fe Mossbauer Spectroscopic Study

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

Kolker,A.; Huggins, F.

2007-01-01

Naturally occurring pyrite commonly contains minor substituted metals and metalloids (As, Se, Hg, Cu, Ni, etc.) that can be released to the environment as a result of its weathering. Arsenic, often the most abundant minor constituent in pyrite, is a sensitive monitor of progressive pyrite oxidation in coal. To test the effect of pyrite composition and environmental parameters on the rate and extent of pyrite oxidation in coal, splits of five bituminous coal samples having differing amounts of pyrite and extents of As substitution in the pyrite, were exposed to a range of simulated weathering conditions over a period ofmore » 17 months. Samples investigated include a Springfield coal from Indiana (whole coal pyritic S = 2.13 wt.%; As in pyrite = detection limit (d.l.) to 0.06 wt.%), two Pittsburgh coal samples from West Virginia (pyritic S = 1.32-1.58 wt.%; As in pyrite = d.l. to 0.34 wt.%), and two samples from the Warrior Basin, Alabama (pyritic S = 0.26-0.27 wt.%; As in pyrite = d.l. to 2.72 wt.%). Samples were collected from active mine faces, and expected differences in the concentration of As in pyrite were confirmed by electron microprobe analysis. Experimental weathering conditions in test chambers were maintained as follows: (1) dry Ar atmosphere; (2) dry O{sub 2} atmosphere; (3) room atmosphere (relative humidity {approx}20-60%); and (4) room atmosphere with samples wetted periodically with double-distilled water. Sample splits were removed after one month, nine months, and 17 months to monitor the extent of As and Fe oxidation using As X-ray absorption near-edge structure (XANES) spectroscopy and {sup 57}Fe Mossbauer spectroscopy, respectively. Arsenic XANES spectroscopy shows progressive oxidation of pyritic As to arsenate, with wetted samples showing the most rapid oxidation. {sup 57}Fe Mossbauer spectroscopy also shows a much greater proportion of Fe{sup 3+} forms (jarosite, Fe{sup 3+} sulfate, FeOOH) for samples stored under wet conditions, but much less difference among samples stored under dry conditions in different atmospheres. The air-wet experiments show evidence of pyrite re-precipitation from soluble ferric sulfates, with As retention in the jarosite phase. Extents of As and Fe oxidation were similar for samples having differing As substitution in pyrite, suggesting that environmental conditions outweigh the composition and amount of pyrite as factors influencing the oxidation rate of Fe sulfides in coal.« less

Development of a Novel Two Dimensional Surface Plasmon Resonance Sensor Using Multiplied Beam Splitting Optics

PubMed Central

Hemmi, Akihide; Mizumura, Ryosuke; Kawanishi, Ryuta; Nakajima, Hizuru; Zeng, Hulie; Uchiyama, Katsumi; Kaneki, Noriaki; Imato, Toshihiko

2013-01-01

A novel two dimensional surface plasmon resonance (SPR) sensor system with a multi-point sensing region is described. The use of multiplied beam splitting optics, as a core technology, permitted multi-point sensing to be achieved. This system was capable of simultaneously measuring nine sensing points. Calibration curves for sucrose obtained on nine sensing points were linear in the range of 0–10% with a correlation factor of 0.996–0.998 with a relative standard deviation of 0.090–4.0%. The detection limits defined as S/N = 3 were 1.98 × 10−6–3.91 × 10−5 RIU. This sensitivity is comparable to that of conventional SPR sensors. PMID:23299626

A multivariate analysis of pre-, peri-, and post-transplant factors affecting outcome after pediatric liver transplantation.

PubMed

McDiarmid, Sue V; Anand, Ravinder; Martz, Karen; Millis, Michael J; Mazariegos, George

2011-07-01

The purpose of this study was to identify significant, independent factors that predicted 6 month patient and graft survival after pediatric liver transplantation. The Studies of Pediatric Liver Transplantation (SPLIT) is a multicenter database established in 1995, of currently more than 4000 US and Canadian children undergoing liver transplantation. Previous published analyses from this data have examined specific factors influencing outcome. This study analyzes a comprehensive range of factors that may influence outcome from the time of listing through the peri- and postoperative period. A total of 42 pre-, peri- and posttransplant variables evaluated in 2982 pediatric recipients of a first liver transplant registered in SPLIT significant at the univariate level were included in multivariate models. In the final model combining all baseline and posttransplant events, posttransplant complications had the highest relative risk of death or graft loss. Reoperation for any cause increased the risk for both patient and graft loss by 11 fold and reoperation exclusive of specific complications by 4 fold. Vascular thromboses, bowel perforation, septicemia, and retransplantation, each independently increased the risk of patient and graft loss by 3 to 4 fold. The only baseline factor with a similarly high relative risk for patient and graft loss was recipient in the intensive care unit (ICU) intubated at transplant. A significant center effect was also found but did not change the impact of the highly significant factors already identified. We conclude that the most significant factors predicting patient and graft loss at 6 months in children listed for transplant are posttransplant surgical complications.

Designing the X-Ray Microcalorimeter Spectrometer for Optimal Science Return

NASA Technical Reports Server (NTRS)

Ptak, Andrew; Bandler, Simon R.; Bookbinder, Jay; Kelley, Richard L.; Petre, Robert; Smith, Randall K.; Smith, Stephen

2013-01-01

Recent advances in X-ray microcalorimeters enable a wide range of possible focal plane designs for the X-ray Microcalorimeter Spectrometer (XMS) instrument on the future Advanced X-ray Spectroscopic Imaging Observatory (AXSIO) or X-ray Astrophysics Probe (XAP). Small pixel designs (75 microns) oversample a 5-10" PSF by a factor of 3-6 for a 10 m focal length, enabling observations at both high count rates and high energy resolution. Pixel designs utilizing multiple absorbers attached to single transition-edge sensors can extend the focal plane to cover a significantly larger field of view, albeit at a cost in maximum count rate and energy resolution. Optimizing the science return for a given cost and/or complexity is therefore a non-trivial calculation that includes consideration of issues such as the mission science drivers, likely targets, mirror size, and observing efficiency. We present a range of possible designs taking these factors into account and their impacts on the science return of future large effective-area X-ray spectroscopic missions.

Systematic errors in the determination of the spectroscopic g-factor in broadband ferromagnetic resonance spectroscopy: A proposed solution

NASA Astrophysics Data System (ADS)

Gonzalez-Fuentes, C.; Dumas, R. K.; García, C.

2018-01-01

A theoretical and experimental study of the influence of small offsets of the magnetic field (δH) on the measurement accuracy of the spectroscopic g-factor (g) and saturation magnetization (Ms) obtained by broadband ferromagnetic resonance (FMR) measurements is presented. The random nature of δH generates systematic and opposite sign deviations of the values of g and Ms with respect to their true values. A δH on the order of a few Oe leads to a ˜10% error of g and Ms for a typical range of frequencies employed in broadband FMR experiments. We propose a simple experimental methodology to significantly minimize the effect of δH on the fitted values of g and Ms, eliminating their apparent dependence in the range of frequencies employed. Our method was successfully tested using broadband FMR measurements on a 5 nm thick Ni80Fe20 film for frequencies ranging between 3 and 17 GHz.

A formula for half-life of proton radioactivity

NASA Astrophysics Data System (ADS)

Zhang, Zhi-Xing; Dong, Jian-Min

2018-01-01

We present a formula for proton radioactivity half-lives of spherical proton emitters with the inclusion of the spectroscopic factor. The coefficients in the formula are calibrated with the available experimental data. As an input to calculate the half-life, the spectroscopic factor that characterizes the important information on nuclear structure should be obtained with a nuclear many-body approach. This formula is found to work quite well, and in better agreement with experimental measurements than other theoretical models. Therefore, it can be used as a powerful tool in the investigation of proton emission, in particular for experimentalists. Supported by National Natural Science Foundation of China (11435014, 11405223, 11675265, 11575112), the 973 Program of China (2013CB834401, 2013CB834405), National Key Program for S&T Research and Development (2016YFA0400501), the Knowledge Innovation Project (KJCX2-EW-N01) of Chinese Academy of Sciences, the Funds for Creative Research Groups of China (11321064) and the Youth Innovation Promotion Association of Chinese Academy of Sciences

Blue News Update: BODIPY-GTP Binds to the Blue-Light Receptor YtvA While GTP Does Not

PubMed Central

Schmieder, Peter

2012-01-01

Light is an important environmental factor for almost all organisms. It is mainly used as an energy source but it is also a key factor for the regulation of multiple cellular functions. Light as the extracellular stimulus is thereby converted into an intracellular signal by photoreceptors that act as signal transducers. The blue-light receptor YtvA, a bacterial counterpart of plant phototropins, is involved in the stress response of Bacillus subtilis. The mechanism behind its activation, however, remains unknown. It was suggested based on fluorescence spectroscopic studies that YtvA function involves GTP binding and that this interaction is altered by absorption of light. We have investigated this interaction by several biophysical methods and show here using fluorescence spectroscopy, ITC titrations, and three NMR spectroscopic assays that while YtvA interacts with BODIPY-GTP as a fluorescent GTP analogue originally used for the detection of GTP binding, it does not bind GTP. PMID:22247770

Influence of core design, production technique, and material selection on fracture behavior of yttria-stabilized tetragonal zirconia polycrystal fixed dental prostheses produced using different multilayer techniques: split-file, over-pressing, and manually built-up veneers.

PubMed

Mahmood, Deyar Jallal Hadi; Linderoth, Ewa H; Wennerberg, Ann; Vult Von Steyern, Per

2016-01-01

To investigate and compare the fracture strength and fracture mode in eleven groups of currently, the most commonly used multilayer three-unit all-ceramic yttria-stabilized tetragonal zirconia polycrystal (Y-TZP) fixed dental prostheses (FDPs) with respect to the choice of core material, veneering material area, manufacturing technique, design of connectors, and radii of curvature of FDP cores. A total of 110 three-unit Y-TZP FDP cores with one intermediate pontic were made. The FDP cores in groups 1-7 were made with a split-file design, veneered with manually built-up porcelain, computer-aided design-on veneers, and over-pressed veneers. Groups 8-11 consisted of FDPs with a state-of-the-art design, veneered with manually built-up porcelain. All the FDP cores were subjected to simulated aging and finally loaded to fracture. There was a significant difference (P<0.05) between the core designs, but not between the different types of Y-TZP materials. The split-file designs with VITABLOCS(®) (1,806±165 N) and e.max(®) ZirPress (1,854±115 N) and the state-of-the-art design with VITA VM(®) 9 (1,849±150 N) demonstrated the highest mean fracture values. The shape of a split-file designed all-ceramic reconstruction calls for a different dimension protocol, compared to traditionally shaped ones, as the split-file design leads to sharp approximal indentations acting as fractural impressions, thus decreasing the overall strength. The design of a framework is a crucial factor for the load bearing capacity of an all-ceramic FDP. The state-of-the-art design is preferable since the split-file designed cores call for a cross-sectional connector area at least 42% larger, to have the same load bearing capacity as the state-of-the-art designed cores. All veneering materials and techniques tested in the study, split-file, over-press, built-up porcelains, and glass-ceramics are, with a great safety margin, sufficient for clinical use both anteriorly and posteriorly. Analysis of the fracture pattern shows differences between the milled veneers and over-pressed or built-up veneers, where the milled ones show numerically more veneer cracks and the other groups only show complete connector fractures.

Quantum Transport Properties in Two-Dimensional and Low Dimensional Systems

NASA Astrophysics Data System (ADS)

Fang, Hao

1991-02-01

The quantum transport properties in quasi two -dimensional and zero-dimensional systems have been studied at magnetic field of 0 - 8T and low temperatures down to 1.3K. In the (100) Si inversion layer, we investigated the effect of valley splitting on the value of the enhanced effective g factor by the tilted magnetic field measurement. The valley splitting is determined from the beat effect on samples with measurable valley splitting behavior due to misorientation effects. Experimental results illustrate that the effective g factor is enhanced by many body interactions and that the valley splitting has no obvious effect on the g-value. A simulation calculation with a Gaussian distribution of density of states has been carried out and the simulated results are in an excellent agreement with the experimental data. A new and very simple technique has been developed for fabricating two-dimensional periodic submicron structures with feature sizes down to about 300 A. The etching mask is made by coating the material surface with a monolayer of close-packed uniform latex particles. We have demonstrated the formation of a quasi zero-dimensional quantum dot array and performed capacitance measurements on GaAs/AlGaAs heterostructure samples with periodicities ranging from 3000 to 4000 A. A series of nearly equally spaced peaks in a curve of the derivative of capacitance with respect to gate voltage, which corresponds to the energy levels formed by the lateral electric confining potential, is observed. The energy spacings and effective dot widths estimated from a simple parabolic potential model are consistent with the experimental data. Novel magnetoresistance oscillations in a two -dimensional electron gas modulated by a two-dimensional triangular superlattice potential are observed in GaAs/AlGaAs heterostructures. The new oscillations appear at very low magnetic fields and the peak positions are directly determined by the magnetic field and the periodicity of the modulation structure. New oscillation results from the modulation-broadened Landau bandwidth and the induced density of states variation with magnetic field. Physical explanations and theoretical approaches for the commensurability problem in a two-dimensional triangular superlattice potential are presented. The differences in oscillation frequencies and phase factors for two kinds of samples correlate with structures differing in degree of depletion and the resulting geometry.

Polarization in Vector-Vector Decay of B Mesons at CDF

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

Hans, Randal Milton

1996-01-01

The factorization assumption in bound state decays (splitting four-quark operators into the product of two two-quark operators) has proved to be a useful tool in B and D meson decays. The longitudinal polarization fraction,more » $,L/,,$ in the decays $$B_d \\to J/\\psi K^{*0}$$ and $$B_s \\to J/\\psi \\phi$$ can be calculated using various phenomenological models within the factorization assumption and, when compared to experimental measurements, provides a test of the factorization procedure when extended to color suppressed B decays....« less

Light Absorbers and Catalysts for Solar to Fuel Conversion

NASA Astrophysics Data System (ADS)

Kornienko, Nikolay I.

Increasing fossil fuel consumption and the resulting consequences to the environment has propelled research into means of utilizing alternative, clean energy sources. Solar power is among the most promising of renewable energy sources but must be converted into an energy dense medium such as chemical bonds to render it useful for transport and energy storage. Photoelectrochemistry (PEC), the splitting of water into oxygen and hydrogen fuel or reducing CO 2 to hydrocarbon fuels via sunlight is a promising approach towards this goal. Photoelectrochemical systems are comprised of several components, including light absorbers and catalysts. These parts must all synergistically function in a working device. Therefore, the continual development of each component is crucial for the overall goal. For PEC systems to be practical for large scale use, the must be efficient, stable, and composed of cost effective components. To this end, my work focused on the development of light absorbing and catalyst components of PEC solar to fuel converting systems. In the direction of light absorbers, I focused of utilizing Indium Phosphide (InP) nanowires (NWs) as photocathodes. I first developed synthetic techniques for InP NW solution phase and vapor phase growth. Next, I developed light absorbing photocathodes from my InP NWs towards PEC water splitting cells. I studied cobalt sulfide (CoSx) as an earth abundant catalyst for the reductive hydrogen evolution half reaction. Using in situ spectroscopic techniques, I elucidated the active structure of this catalyst and offered clues to its high activity. In addition to hydrogen evolution catalysts, I established a new generation of earth abundant catalysts for CO2 reduction to CO fuel/chemical feedstock. I first worked with molecularly tunable homogeneous catalysts that exhibited high selectivity for CO2 reduction in non-aqueous media. Next, in order to retain molecular tunability while achieving stability and efficiency in aqueous solvents, I aimed to heterogenize a class of molecular porphyrin catalysts into a 3D mesoscopic porous catalytic structure in the form of a metal-organic framework (MOF). To do so, I initially developed a growth for thin film MOFs that were embedded with catalytic groups in their linkers. Next, I utilized these thin film MOFs grown on conductive substrates and functionalized with cobalt porphyrin units as 3D porous CO2 reduction catalysts. This new class of catalyst exhibited high efficiency, selectivity, and stability in neutral pH aqueous electrolytes. Finally, as a last chapter of my work, I explored hybrid inorganic/biological CO2 reduction pathways. Specifically, I used time-resolved spectroscopic and biochemical techniques to investigate charge transfer pathways from light absorber to CO2-derived acetate in acetogenic self-sensitized bacteria.

Three ways to solve the orbit of KIC 11 558 725: a 10-day beaming sdB+WD binary with a pulsating subdwarf

NASA Astrophysics Data System (ADS)

Telting, J. H.; Østensen, R. H.; Baran, A. S.; Bloemen, S.; Reed, M. D.; Oreiro, R.; Farris, L.; Ottosen, T. A.; Aerts, C.; Kawaler, S. D.; Heber, U.; Prins, S.; Green, E. M.; Kalomeni, B.; O'Toole, S. J.; Mullally, F.; Sanderfer, D. T.; Smith, J. C.; Kjeldsen, H.

2012-08-01

The recently discovered subdwarf B (sdB) pulsator KIC 11 558 725 is one of the 16 pulsating sdB stars detected in the Kepler field. It features a rich g-mode frequency spectrum, with a few low-amplitude p-modes at short periods. This makes it a promising target for a seismic study aiming to constrain the internal structure of this star, and of sdB stars ingeneral. We have obtained ground-based spectroscopic radial-velocity measurements of KIC 11 558 725 based on low-resolution spectra in the Balmer-line region, spanning the 2010 and 2011 observing seasons. From these data we have discovered that KIC 11 558 725 is a binary with period P = 10.05 d, and that the radial-velocity amplitude of the sdB star is 58 km s-1. Consequently the companion of the sdB star has a minimum mass of 0.63 M⊙, and is therefore most likely an unseen white dwarf. We analyse the near-continuous 2010-2011 Kepler light curve to reveal the orbital Doppler-beaming effect, giving rise to light variations at the 238 ppm level, which is consistent with the observed spectroscopic orbital radial-velocity amplitude of the subdwarf. We use the strongest 70 pulsation frequencies in the Kepler light curve of the subdwarf as clocks to derive a third consistent measurement of the orbital radial-velocity amplitude, from the orbital light-travel delay. The orbital radius asdBsini = 11.5 R⊙ gives rise to a light-travel time delay of 53.6 s, which causes aliasing and lowers the amplitudes of the shortest pulsation frequencies, unless the effect is corrected for. We use our high signal-to-noise average spectra to study the atmospheric parameters of the sdB star, deriving Teff = 27 910 K andlog g = 5.41 dex, and find that carbon, nitrogen and oxygen are underabundant relative to the solar mixture. Furthermore, we analyse the Kepler light curve for its pulsational content and extract more than 160 significant frequencies.We investigate the pulsation frequencies for expected period spacings and rotational splittings. We find period-spacing sequences of spherical-harmonic degrees ℓ = 1 and ℓ = 2, and we associate a large fraction of the g-modes in KIC 11 558 725 with these sequences. From frequency splittings we conclude that the subdwarf is rotating subsynchronously with respect to the orbit. Based on observations obtained by the Kepler spacecraft, the Kitt Peak Mayall Telescope, the Nordic Optical Telescope and the William Herschel Telescope.Tables 1, 4, and 5 are available in electronic form at http://www.aanda.org

Synthesis, spectroscopic characterization, and determination of the solution association energy of the dimer [Co{N(SiMe3)2}2]2: magnetic studies of low-coordinate Co(II) silylamides [Co{N(SiMe3)2}2L] (L = PMe3, pyridine, and THF) and related species that reveal evidence of very large zero-field splittings.

PubMed

Bryan, Aimee M; Long, Gary J; Grandjean, Fernande; Power, Philip P

2013-10-21

The synthesis, magnetic, and spectroscopic characteristics of the synthetically useful dimeric cobalt(II) silylamide complex [Co{N(SiMe3)2}2]2 (1) and several of its Lewis base complexes have been investigated. Variable-temperature nuclear magnetic resonance (NMR) spectroscopy of 1 showed that it exists in a monomer-dimer equilibrium in benzene solution and has an association energy (ΔGreacn) of -0.30(20) kcal mol(-1) at 300 K. Magnetic data for the polycrystalline, red-brown [Co{N(SiMe3)2}2]2 (1) showed that it displays strong antiferromagnetic exchange coupling, expressed as -2JexS1S2, between the two S = (3)/2 cobalt(II) centers with a Jex value of -215(5) cm(-1), which is consistent with its bridged dimeric structure in the solid state. The electronic spectrum of 1 in solution is reported for the first time, and it is shown that earlier reports of the melting point, synthesis, electronic spectrum, and magnetic studies of the monomer "Co{N(SiMe3)2}2" are consistent with those of the bright green-colored tetrahydrofuran (THF) complex [Co{N(SiMe3)2}2(THF)] (4). Treatment of 1 with various Lewis bases yielded monomeric three-coordinated species-[Co{N(SiMe3)2}2(PMe3)] (2), and [Co{N(SiMe3)2}2(THF)] (4), as well as the previously reported [Co{N(SiMe3)2}2(py)] (3)-and the four-coordinated species [Co{N(SiMe3)2}2(py)2] (5) in good yields. The paramagnetic complexes 2-4 were characterized by electronic and (1)H NMR spectroscopy, and by X-ray crystallography in the case of 2 and 4. Magnetic studies of 2-5 and of the known three-coordinated cobalt(II) species [Na(12-crown-4)2][Co{N(SiMe3)2}3] (6) showed that they have considerably larger χMT products and, hence, magnetic moments, than the spin-only values of 1.875 emu K mol(-1) and 3.87 μB, which is indicative of a significant zero-field splitting and g-tensor anisotropy resulting from the pseudo-trigonal crystal field. A fit of χMT for 2-6 yields a large g-tensor anisotropy, large negative D-values (between -62 cm(-1) and -82 cm(-1)), and E-values between ±10 cm(-1) and ±21 cm(-1).

Spectroscopic properties of a two-dimensional time-dependent Cepheid model. I. Description and validation of the model

NASA Astrophysics Data System (ADS)

Vasilyev, V.; Ludwig, H.-G.; Freytag, B.; Lemasle, B.; Marconi, M.

2017-10-01

Context. Standard spectroscopic analyses of Cepheid variables are based on hydrostatic one-dimensional model atmospheres, with convection treated using various formulations of mixing-length theory. Aims: This paper aims to carry out an investigation of the validity of the quasi-static approximation in the context of pulsating stars. We check the adequacy of a two-dimensional time-dependent model of a Cepheid-like variable with focus on its spectroscopic properties. Methods: With the radiation-hydrodynamics code CO5BOLD, we construct a two-dimensional time-dependent envelope model of a Cepheid with Teff = 5600 K, log g = 2.0, solar metallicity, and a 2.8-day pulsation period. Subsequently, we perform extensive spectral syntheses of a set of artificial iron lines in local thermodynamic equilibrium. The set of lines allows us to systematically study effects of line strength, ionization stage, and excitation potential. Results: We evaluate the microturbulent velocity, line asymmetry, projection factor, and Doppler shifts. The microturbulent velocity, averaged over all lines, depends on the pulsational phase and varies between 1.5 and 2.7 km s-1. The derived projection factor lies between 1.23 and 1.27, which agrees with observational results. The mean Doppler shift is non-zero and negative, -1 km s-1, after averaging over several full periods and lines. This residual line-of-sight velocity (related to the "K-term") is primarily caused by horizontal inhomogeneities, and consequently we interpret it as the familiar convective blueshift ubiquitously present in non-pulsating late-type stars. Limited statistics prevent firm conclusions on the line asymmetries. Conclusions: Our two-dimensional model provides a reasonably accurate representation of the spectroscopic properties of a short-period Cepheid-like variable star. Some properties are primarily controlled by convective inhomogeneities rather than by the Cepheid-defining pulsations. Extended multi-dimensional modelling offers new insight into the nature of pulsating stars.

Characterization of dissolved organic matter in Dongjianghu Lake by UV-visible absorption spectroscopy with multivariate analysis.

PubMed

Zhu, Yanzhong; Song, Yonghui; Yu, Huibin; Liu, Ruixia; Liu, Lusan; Lv, Chunjian

2017-08-08

UV-visible absorption spectroscopy coupled with principal component analysis (PCA) and hierarchical cluster analysis (HCA) was applied to characterize spectroscopic components, detect latent factors, and investigate spatial variations of dissolved organic matter (DOM) in a large-scale lake. Twelve surface water samples were collected from Dongjianghu Lake in China. DOM contained lignin and quinine moieties, carboxylic acid, microbial products, and aromatic and alkyl groups, which in the northern part of the lake was largely different from the southern part. Fifteen spectroscopic indices were deduced from the absorption spectra to indicate molecular weight or humification degree of DOM. The northern part of the lake presented the smaller molecular weight or the lower humification degree of DOM than the southern part. E 2/4 , E 3/4 , E 2/3 , and S 2 were latent factors of characterizing the molecular weight of DOM, while E 2/5 , E 3/5 , E 2/6 , E 4/5 , E 3/6 , and A 2/1 were latent factors of evaluating the humification degree of DOM. The UV-visible absorption spectroscopy combined with PCA and HCA may not only characterize DOM fractions of lakes, but may be transferred to other types of waterscape.

Spectroscopic characterization of biological agents using FTIR, normal Raman and surface-enhanced Raman spectroscopies

NASA Astrophysics Data System (ADS)

Luna-Pineda, Tatiana; Soto-Feliciano, Kristina; De La Cruz-Montoya, Edwin; Pacheco Londoño, Leonardo C.; Ríos-Velázquez, Carlos; Hernández-Rivera, Samuel P.

2007-04-01

FTIR, Raman spectroscopy and Surface Enhanced Raman Scattering (SERS) requires a minimum of sample allows fast identification of microorganisms. The use of this technique for characterizing the spectroscopic signatures of these agents and their stimulants has recently gained considerable attention due to the fact that these techniques can be easily adapted for standoff detection from considerable distances. The techniques also show high sensitivity and selectivity and offer near real time detection duty cycles. This research focuses in laying the grounds for the spectroscopic differentiation of Staphylococcus spp., Pseudomonas spp., Bacillus spp., Salmonella spp., Enterobacter aerogenes, Proteus mirabilis, Klebsiella pneumoniae, and E. coli, together with identification of their subspecies. In order to achieve the proponed objective, protocols to handle, cultivate and analyze the strains have been developed. Spectroscopic similarities and marked differences have been found for Spontaneous or Normal Raman spectra and for SERS using silver nanoparticles have been found. The use of principal component analysis (PCA), discriminate factor analysis (DFA) and a cluster analysis were used to evaluate the efficacy of identifying potential threat bacterial from their spectra collected on single bacteria. The DFA from the bacteria Raman spectra show a little discrimination between the diverse bacterial species however the results obtained from the SERS demonstrate to be high discrimination technique. The spectroscopic study will be extended to examine the spores produced by selected strains since these are more prone to be used as Biological Warfare Agents due to their increased mobility and possibility of airborne transport. Micro infrared spectroscopy as well as fiber coupled FTIR will also be used as possible sensors of target compounds.

Construct measurement quality improves predictive accuracy in violence risk assessment: an illustration using the personality assessment inventory.

PubMed

Hendry, Melissa C; Douglas, Kevin S; Winter, Elizabeth A; Edens, John F

2013-01-01

Much of the risk assessment literature has focused on the predictive validity of risk assessment tools. However, these tools often comprise a list of risk factors that are themselves complex constructs, and focusing on the quality of measurement of individual risk factors may improve the predictive validity of the tools. The present study illustrates this concern using the Antisocial Features and Aggression scales of the Personality Assessment Inventory (Morey, 1991). In a sample of 1,545 prison inmates and offenders undergoing treatment for substance abuse (85% male), we evaluated (a) the factorial validity of the ANT and AGG scales, (b) the utility of original ANT and AGG scales and newly derived ANT and AGG scales for predicting antisocial outcomes (recidivism and institutional infractions), and (c) whether items with a stronger relationship to the underlying constructs (higher factor loadings) were in turn more strongly related to antisocial outcomes. Confirmatory factor analyses (CFAs) indicated that ANT and AGG items were not structured optimally in these data in terms of correspondence to the subscale structure identified in the PAI manual. Exploratory factor analyses were conducted on a random split-half of the sample to derive optimized alternative factor structures, and cross-validated in the second split-half using CFA. Four-factor models emerged for both the ANT and AGG scales, and, as predicted, the size of item factor loadings was associated with the strength with which items were associated with institutional infractions and community recidivism. This suggests that the quality by which a construct is measured is associated with its predictive strength. Implications for risk assessment are discussed. Copyright © 2013 John Wiley & Sons, Ltd.

The effect of temperature and moisture on electrical resistance, strain sensitivity and crack sensitivity of steel fiber reinforced smart cement composite

NASA Astrophysics Data System (ADS)

Teomete, Egemen

2016-07-01

Earthquakes, material degradations and other environmental factors necessitate structural health monitoring (SHM). Metal foil strain gages used for SHM have low durability and low sensitivity. These factors motivated researchers to work on cement based strain sensors. In this study, the effects of temperature and moisture on electrical resistance, compressive and tensile strain gage factors (strain sensitivity) and crack sensitivity were determined for steel fiber reinforced cement based composite. A rapid increase of electrical resistance at 200 °C was observed due to damage occurring between cement paste, aggregates and steel fibers. The moisture—electrical resistance relationship was investigated. The specimens taken out of the cure were saturated with water and had a moisture content of 9.49%. The minimum electrical resistance was obtained at 9% moisture at which fiber-fiber and fiber-matrix contact was maximum and the water in micro voids was acting as an electrolyte, conducting electrons. The variation of compressive and tensile strain gage factors (strain sensitivities) and crack sensitivity were investigated by conducting compression, split tensile and notched bending tests with different moisture contents. The highest gage factor for the compression test was obtained at optimal moisture content, at which electrical resistance was minimum. The tensile strain gage factor for split tensile test and crack sensitivity increased by decreasing moisture content. The mechanisms between moisture content, electrical resistance, gage factors and crack sensitivity were elucidated. The relations of moisture content with electrical resistance, gage factors and crack sensitivities have been presented for the first time in this study for steel fiber reinforced cement based composites. The results are important for the development of self sensing cement based smart materials.

On-demand acoustic droplet splitting and steering in a disposable microfluidic chip.

PubMed

Park, Jinsoo; Jung, Jin Ho; Park, Kwangseok; Destgeer, Ghulam; Ahmed, Husnain; Ahmad, Raheel; Sung, Hyung Jin

2018-01-30

On-chip droplet splitting is one of the fundamental droplet-based microfluidic unit operations to control droplet volume after production and increase operational capability, flexibility, and throughput. Various droplet splitting methods have been proposed, and among them the acoustic droplet splitting method is promising because of its label-free operation without any physical or thermal damage to droplets. Previous acoustic droplet splitting methods faced several limitations: first, they employed a cross-type acoustofluidic device that precluded multichannel droplet splitting; second, they required irreversible bonding between a piezoelectric substrate and a microfluidic chip, such that the fluidic chip was not replaceable. Here, we present a parallel-type acoustofluidic device with a disposable microfluidic chip to address the limitations of previous acoustic droplet splitting devices. In the proposed device, an acoustic field is applied in the direction opposite to the flow direction to achieve multichannel droplet splitting and steering. A disposable polydimethylsiloxane microfluidic chip is employed in the developed device, thereby removing the need for permanent bonding and improving the flexibility of the droplet microfluidic device. We experimentally demonstrated on-demand acoustic droplet bi-splitting and steering with precise control over the droplet splitting ratio, and we investigated the underlying physical mechanisms of droplet splitting and steering based on Laplace pressure and ray acoustics analyses, respectively. We also demonstrated droplet tri-splitting to prove the feasibility of multichannel droplet splitting. The proposed on-demand acoustic droplet splitting device enables on-chip droplet volume control in various droplet-based microfluidic applications.

Aerogel volatiles concentrator and analyzer (AVCA) - Collection and concentration of trace volatile organics in aerogel for spectroscopic detection

NASA Astrophysics Data System (ADS)

Tsapin, A.; Jones, S.; Petkov, M.; Borchardt, D.; Anderson, M.

2017-03-01

A study was conducted to determine the efficacy of using silica aerogel to collect and concentrate ambient trace organics for spectroscopic analysis. Silica aerogel was exposed to atmospheres containing trace amounts of polycyclic aromatic and aliphatic hydrocarbons. The organics present were concentrated in the aerogels by factors varying from 10 to more than 1000 over the levels found in the atmospheres, depending on the specific organic present. Since silica aerogel is transparent over a wide range of optical and near infrared wavelengths, UV-induced fluorescence, Raman and infrared spectroscopies were used to detect and identify the organics collected by the aerogel. Measurements were conducted to determine the sensitivity of these spectroscopic methods for determining organics concentrated by aerogels and the effectiveness of this method for identifying systems containing multiple organic species. Polycyclic aromatic hydrocarbons (PAHs) were added to simulated Mars regolith and then vaporized by modest heating in the presence of aerogel. The aerogels adsorbed and concentrated the PAHs, which were detected by induced fluorescence and Raman and FTIR spectroscopies.

[Reliability and Validity of the Korean Version of the Perinatal Post-Traumatic Stress Disorder Questionnaire].

PubMed

Park, Yu Kyung; Ju, Hyeon Ok; Na, Hunjoo

2016-02-01

The Perinatal Post-Traumatic Stress Disorder Questionnaire (PPQ) was designed to measure post-traumatic symptoms related to childbirth and symptoms during postnatal period. The purpose of this study was to develop a translated Korean version of the PPQ and to evaluate reliability and validity of the Korean PPQ. Participants were 196 mothers at one to 18 months after giving childbirth and data were collected through e-mails. The PPQ was translated into Korean using translation guideline from World Health Organization. For this study Cronbach's alpha and split-half reliability were used to evaluate the reliability of the PPQ. Exploratory Factor Analysis (EFA), Confirmatory Factor Analysis (CFA), and known-group validity were conducted to examine construct validity. Correlations of the PPQ with Impact of Event Scale (IES), Beck Depression Inventory II (BDI-II), and Beck Anxiety Inventory (BAI) were used to test a criterion validity of the PPQ. Cronbach's alpha and Spearman-Brown split-half correlation coefficient were 0.91 and 0.77, respectively. EFA identified a 3-factor solution including arousal, avoidance, and intrusion factors and CFA revealed the strongest support for the 3-factor model. The correlations of the PPQ with IES, BDI-II, and BAI were .99, .60, and .72, respectively, pointing to criterion validity of a high level. The Korean version PPQ is a useful tool for screening and assessing mothers' experiencing emotional distress related to child birth and during the postnatal period. The PPQ also reflects Post Traumatic Stress Disorder's diagnostic standards well.

Q factor limitation at short wavelength (around 300 nm) in III-nitride-on-silicon photonic crystal cavities

NASA Astrophysics Data System (ADS)

Tabataba-Vakili, Farsane; Roland, Iannis; Tran, Thi-Mo; Checoury, Xavier; El Kurdi, Moustafa; Sauvage, Sébastien; Brimont, Christelle; Guillet, Thierry; Rennesson, Stéphanie; Duboz, Jean-Yves; Semond, Fabrice; Gayral, Bruno; Boucaud, Philippe

2017-09-01

III-nitride-on-silicon L3 photonic crystal cavities with resonances down to 315 nm and quality factors (Q) up to 1085 at 337 nm have been demonstrated. The reduction of the quality factor with decreasing wavelength is investigated. Besides the quantum well absorption below 340 nm, a noteworthy contribution is attributed to the residual absorption present in thin AlN layers grown on silicon, as measured by spectroscopic ellipsometry. This residual absorption ultimately limits the Q factor to around 2000 at 300 nm when no active layer is present.

Transforming Static Data Structures to Dynamic Structures.

DTIC Science & Technology

1979-09-03

binary transform. and was then studied in detail by Bentley. Oetiq. Guihms and Saxe E 1979). The name is taken Porn its similarity t the binomial qeeue...costs of the two families of structures would have been equal within a constant factor, each being 0(N3 1 2 ). The present disparity suggests that it...cost being split evenly (within a constant factor) between the two families of structures. The preceding results may be generalized to arbitrary

A STRICTLY CONTRACTIVE PEACEMAN–RACHFORD SPLITTING METHOD FOR CONVEX PROGRAMMING

PubMed Central

BINGSHENG, HE; LIU, HAN; WANG, ZHAORAN; YUAN, XIAOMING

2014-01-01

In this paper, we focus on the application of the Peaceman–Rachford splitting method (PRSM) to a convex minimization model with linear constraints and a separable objective function. Compared to the Douglas–Rachford splitting method (DRSM), another splitting method from which the alternating direction method of multipliers originates, PRSM requires more restrictive assumptions to ensure its convergence, while it is always faster whenever it is convergent. We first illustrate that the reason for this difference is that the iterative sequence generated by DRSM is strictly contractive, while that generated by PRSM is only contractive with respect to the solution set of the model. With only the convexity assumption on the objective function of the model under consideration, the convergence of PRSM is not guaranteed. But for this case, we show that the first t iterations of PRSM still enable us to find an approximate solution with an accuracy of O(1/t). A worst-case O(1/t) convergence rate of PRSM in the ergodic sense is thus established under mild assumptions. After that, we suggest attaching an underdetermined relaxation factor with PRSM to guarantee the strict contraction of its iterative sequence and thus propose a strictly contractive PRSM. A worst-case O(1/t) convergence rate of this strictly contractive PRSM in a nonergodic sense is established. We show the numerical efficiency of the strictly contractive PRSM by some applications in statistical learning and image processing. PMID:25620862

Water splitting on semiconductor catalysts under visible-light irradiation.

PubMed

Navarro Yerga, Rufino M; Alvarez Galván, M Consuelo; del Valle, F; Villoria de la Mano, José A; Fierro, José L G

2009-01-01

Sustainable hydrogen production is a key target for the development of alternative, future energy systems that will provide a clean and affordable energy supply. The Sun is a source of silent and precious energy that is distributed fairly all over the Earth daily. However, its tremendous potential as a clean, safe, and economical energy source cannot be exploited unless the energy is accumulated or converted into more useful forms. The conversion of solar energy into hydrogen via the water-splitting process, assisted by photo-semiconductor catalysts, is one of the most promising technologies for the future because large quantities of hydrogen can potentially be generated in a clean and sustainable manner. This Minireview provides an overview of the principles, approaches, and research progress on solar hydrogen production via the water-splitting reaction on photo-semiconductor catalysts. It presents a survey of the advances made over the last decades in the development of catalysts for photochemical water splitting under visible-light irradiation. The Minireview also analyzes the energy requirements and main factors that determine the activity of photocatalysts in the conversion of water into hydrogen and oxygen using sunlight. Remarkable progress has been made since the pioneering work by Fujishima and Honda in 1972, but he development of photocatalysts with improved efficiencies for hydrogen production from water using solar energy still faces major challenges. Research strategies and approaches adopted in the search for active and efficient photocatalysts, for example through new materials and synthesis methods, are presented and analyzed.

Photoelectrochemical devices for solar water splitting - materials and challenges.

PubMed

Jiang, Chaoran; Moniz, Savio J A; Wang, Aiqin; Zhang, Tao; Tang, Junwang

2017-07-31

It is widely accepted within the community that to achieve a sustainable society with an energy mix primarily based on solar energy we need an efficient strategy to convert and store sunlight into chemical fuels. A photoelectrochemical (PEC) device would therefore play a key role in offering the possibility of carbon-neutral solar fuel production through artificial photosynthesis. The past five years have seen a surge in the development of promising semiconductor materials. In addition, low-cost earth-abundant co-catalysts are ubiquitous in their employment in water splitting cells due to the sluggish kinetics of the oxygen evolution reaction (OER). This review commences with a fundamental understanding of semiconductor properties and charge transfer processes in a PEC device. We then describe various configurations of PEC devices, including single light-absorber cells and multi light-absorber devices (PEC, PV-PEC and PV/electrolyser tandem cell). Recent progress on both photoelectrode materials (light absorbers) and electrocatalysts is summarized, and important factors which dominate photoelectrode performance, including light absorption, charge separation and transport, surface chemical reaction rate and the stability of the photoanode, are discussed. Controlling semiconductor properties is the primary concern in developing materials for solar water splitting. Accordingly, strategies to address the challenges for materials development in this area, such as the adoption of smart architectures, innovative device configuration design, co-catalyst loading, and surface protection layer deposition, are outlined throughout the text, to deliver a highly efficient and stable PEC device for water splitting.

Using histograms to introduce randomization in the generation of ensembles of decision trees

DOEpatents

Kamath, Chandrika; Cantu-Paz, Erick; Littau, David

2005-02-22

A system for decision tree ensembles that includes a module to read the data, a module to create a histogram, a module to evaluate a potential split according to some criterion using the histogram, a module to select a split point randomly in an interval around the best split, a module to split the data, and a module to combine multiple decision trees in ensembles. The decision tree method includes the steps of reading the data; creating a histogram; evaluating a potential split according to some criterion using the histogram, selecting a split point randomly in an interval around the best split, splitting the data, and combining multiple decision trees in ensembles.

Trap level spectroscopic investigations of U: ZnAl2O4: Role of defect centres in the TSL process

NASA Astrophysics Data System (ADS)

Mohapatra, M.; Kumar, Mithlesh; Kadam, R. M.

2018-03-01

In order to evaluate the trap level spectroscopic properties of Uranium in ZnAl2O4 spinel host, undoped and Uranium doped ZnAl2O4 samples were synthesized. From photoluminescence (PL) data it was confirmed that uranium gets stabilized in the system as UO66- (octahedral uranate). Electron spin resonance (ESR) studies for the gamma irradiated sample suggested the formation of O2-, F+ and V centres. From the TSL (thermally stimulated luminescence) data, the trap parameters such as frequency factor and activation energy etc. were evaluated. From ESR-TSL correlation it was confirmed that the destruction of O2- ion coincides with TSL glow peak appeared at 332 K.

Ab initio molecular orbital and infrared spectroscopic study of the conformation of secondary amides: derivatives of formanilide, acetanilide and benzylamides

NASA Astrophysics Data System (ADS)

Ilieva, S.; Hadjieva, B.; Galabov, B.

1999-09-01

Ab initio molecular orbital calculations at HF/4-31G level and infrared spectroscopic data for the frequencies are applied to analyse the grouping in a series model aromatic secondary amides: formanilide; acetanilide; o-methylacetanilide; 2,6-dimethylformanilide, 2,6-dimethylacetanilide; N-benzylacetamide and N-benzylformamide. The theoretical and experimental data obtained show that the conformational state of the molecules studied is determined by the fine balance of several intramolecular factors: resonance effect between the amide group and the aromatic ring, steric interaction between various substituents around the -NH-CO- grouping in the aromatic ring, conjugation between the carbonyl bond and the nitrogen lone pair as well as direct field influences inside the amide group.

Fracture patterns after bilateral sagittal split osteotomy of the mandibular ramus according to the Obwegeser/Dal Pont and Hunsuck/Epker modifications.

PubMed

Möhlhenrich, Stephan Christian; Kniha, Kristian; Peters, Florian; Ayoub, Nassim; Goloborodko, Evgeny; Hölzle, Frank; Fritz, Ulrike; Modabber, Ali

2017-05-01

The aim of this study was to compare the fracture patterns after sagittal split osteotomy according to Obwegeser/Dal Pont (ODP) and Hunsuck/Epker (HE), as well as to investigate the relationship between lateral bone cut ending or angle and the incidence of unfavorable/bad splits. Postoperative cone-beam computed tomograms of 124 splits according to ODP and 60 according to HE were analyzed. ODP led to 75.8% and HE led to 60% lingual fractures with mandibular foramen contact. Horizontal fractures were found in 9.7% and 6.7%, respectively, and unfavorable/bad splits were found in 11.3% and 10%, respectively. The lateral osteotomy angle was 106.22° (SD 12.03)° for bad splits and 106.6° (SD 13.12)° for favorable splits. Correlations were found between favorable fracture patterns and split modifications and between buccal ending of the lateral bone cut and bad splits (p < 0.001). No relationship was observed between split modifications (p = 0.792) or the osteotomy angle (p = 0.937) and the incidence of unfavorable/bad splits. Split modifications had no influence on the incidence of unfavorable/bad splits, but the buccal ending of the lateral bone cut did have an influence. More lingual fractures with mandibular foramen contact are expected with the ODP modification. The osteotomy angle did not differ between favorable and bad splits. Copyright © 2017 European Association for Cranio-Maxillo-Facial Surgery. Published by Elsevier Ltd. All rights reserved.

Clinical application of calculated split renal volume using computed tomography-based renal volumetry after partial nephrectomy: Correlation with technetium-99m dimercaptosuccinic acid renal scan data.

PubMed

Lee, Chan Ho; Park, Young Joo; Ku, Ja Yoon; Ha, Hong Koo

2017-06-01

To evaluate the clinical application of computed tomography-based measurement of renal cortical volume and split renal volume as a single tool to assess the anatomy and renal function in patients with renal tumors before and after partial nephrectomy, and to compare the findings with technetium-99m dimercaptosuccinic acid renal scan. The data of 51 patients with a unilateral renal tumor managed by partial nephrectomy were retrospectively analyzed. The renal cortical volume of tumor-bearing and contralateral kidneys was measured using ImageJ software. Split estimated glomerular filtration rate and split renal volume calculated using this renal cortical volume were compared with the split renal function measured with technetium-99m dimercaptosuccinic acid renal scan. A strong correlation between split renal function and split renal volume of the tumor-bearing kidney was observed before and after surgery (r = 0.89, P < 0.001 and r = 0.94, P < 0.001). The preoperative and postoperative split estimated glomerular filtration rate of the operated kidney showed a moderate correlation with split renal function (r = 0.39, P = 0.004 and r = 0.49, P < 0.001). The correlation between reductions in split renal function and split renal volume of the operated kidney (r = 0.87, P < 0.001) was stronger than that between split renal function and percent reduction in split estimated glomerular filtration rate (r = 0.64, P < 0.001). The split renal volume calculated using computed tomography-based renal volumetry had a strong correlation with the split renal function measured using technetium-99m dimercaptosuccinic acid renal scan. Computed tomography-based split renal volume measurement before and after partial nephrectomy can be used as a single modality for anatomical and functional assessment of the tumor-bearing kidney. © 2017 The Japanese Urological Association.

Patients with History of Colonoscopy Are Less Likely to Achieve High Quality Preparation After Implementing Split-Dose Bowel Preparation.

PubMed

Madhoun, M F; Bitar, H; Parava, P; Bashir, M H; Zia, H

2017-01-01

Anecdotally, we observed that patients who had previous colonoscopies were less likely to follow newly implemented split-dose bowel preparation (SDBP) instructions. We investigated whether the indication for colonoscopy is an independent factor for achieving high quality bowel preparation among patients asked to follow SDBP. We performed a retrospective study of data from 1478 patients who received outpatient colonoscopies in 2014 (the year of SDBP implementation) at our Veterans Affairs Medical Center. We collected information related to demographics and factors known to affect bowel preparations. Reasons for colonoscopy were dichotomized into surveillance (previous colonoscopy) vs. non-surveillance (positive occult blood test or screening). Bowel preparation quality was scored using the Boston Bowel Preparation Scale (BBPS), and was categorized as either excellent vs. not excellent (BBPS≥7 vs. BBPS<7), or adequate vs. inadequate (BBPS≥6 vs. BBPS<6). Bowel preparation quality was excellent in 60% of colonoscopies and adequate in 84% of colonoscopies. Thirty-six percent (535) were surveillance colonoscopies. In multivariate logistic regression analysis, more patients in the non-surveillance group achieved excellent (OR 0.8 ; 95% CI [0.7-0.8], P <0.0001) and adequate (OR 0.8 ; 95% CI [0.7-0.9], P <0.006) bowel preparation than did patients in the surveillance group. Patients with a prior colonoscopy might not follow the split-dose bowel preparation instructions. Educational interventions emphasizing the benefits of SDBP in this group of patients may help ensure compliance and prevent the habitual use of day-before preparations. © Acta Gastro-Enterologica Belgica.

Discriminative and Criterion Validity of the Autism Spectrum Identity Scale (ASIS)

ERIC Educational Resources Information Center

McDonald, T. A. M.

2017-01-01

Individuals on the autism spectrum face stigma that can influence identity development. Previous research on the 22-item Autism Spectrum Identity Scale (ASIS) reported a four-factor structure with strong split-sample cross-validation and good internal consistency. This study reports the discriminative and criterion validity of the ASIS with other…

A Split in the Verbal Comprehension Factor in WAIS and WISC-R Profiles.

ERIC Educational Resources Information Center

McGee, Shanna; Brown, Coke

1984-01-01

Examined the pattern of verbal subscale scores on the Wechsler Adult Intelligence Scale and Wechsler Intelligence Scale for Children-Revised given to college students (N=129) and elementary students (N=383). Results showed a triangle pattern (Comprehension scores higher than both Vocabulary and Information) that begins to appear at the…

Exploratory and Confirmatory Analysis of the Trauma Practices Questionnaire

ERIC Educational Resources Information Center

Craig, Carlton D.; Sprang, Ginny

2009-01-01

Objective: The present study provides psychometric data for the Trauma Practices Questionnaire (TPQ). Method: A nationally randomized sample of 2,400 surveys was sent to self-identified trauma treatment specialists, and 711 (29.6%) were returned. Results: An exploratory factor analysis (N = 319) conducted on a randomly split sample (RSS) revealed…

Hund's Rule in Two-Electron Atomic Systems

ERIC Educational Resources Information Center

Harriman, John E.

2008-01-01

A model proposed by Rioux to explain Hund's rule is investigated. Although the largest contribution to the singlet-triplet splitting in the two-electron atomic systems is the nuclear attraction term, this arises from different optimum scale factors in the two states and that difference is driven by the electron-electron exchange term. The…

Self-focusing and group-velocity dispersion of pulsed laser beams in the inhomogeneous atmosphere.

PubMed

Zhang, Yuqiu; Ji, Xiaoling; Zhang, Hao; Li, Xiaoqing; Wang, Tao; Wang, Huan; Deng, Yu

2018-05-28

We study self-focusing and group-velocity dispersion (GVD) effects in the inhomogeneous atmosphere on pulsed-laser space debris removal facilitated by a ground-based laser. It is found that changes of the pulse duration and the beam spot size with the propagation distance are noticeable due to the interplay of the GVD effect and the self-focusing effect, which is quite different from the behavior in the linear case. It is shown that the temporal pulse splitting may appear on the space debris, and the spatial side lobe usually appears together with the temporal pulse splitting. As compared with the linear case, the beam width and the pulse width on the debris target increase. On the other hand, crucial formulae of the modified focal length and the M 2 -factor for laser debris removal are also derived. It is found that the beam quality on the debris target becomes better if our modified focal length is adopted, and the beam quality on the debris target will be good if the value of M 2 -factor is less than 1.6.

[Reliability and validity of Driving Anger Scale in professional drivers in China].

PubMed

Li, Z; Yang, Y M; Zhang, C; Li, Y; Hu, J; Gao, L W; Zhou, Y X; Zhang, X J

2017-11-10

Objective: To assess the reliability and validity of the Chinese version of Driving Anger Scale (DAS) in professional drivers in China and provide a scientific basis for the application of the scale in drivers in China. Methods: Professional drivers, including taxi drivers, bus drivers, truck drivers and school bus drivers, were selected to complete the questionnaire. Cronbach's α and split-half reliability were calculated to evaluate the reliability of DAS, and content, contract, discriminant and convergent validity were performed to measure the validity of the scale. Results: The overall Cronbach's α of DAS was 0.934 and the split-half reliability was 0.874. The correlation coefficient of each subscale with the total scale was 0.639-0.922. The simplified version of DAS supported a presupposed six-factor structure, explaining 56.371% of the total variance revealed by exploratory factor analysis. The DAS had good convergent and discriminant validity, with the success rate of calibration experiment of 100%. Conclusion: DAS has a good reliability and validity in professional drivers in China, and the use of DAS is worth promoting in divers.

Design and development of a novel strain gauge automatic pasting device for mini split Hopkinson pressure bar

NASA Astrophysics Data System (ADS)

Huang, Wenkai; Huan, Shi; He, Junfeng; Jiang, Jichang

2018-03-01

In a split Hopkinson pressure bar (SHPB) experiment, the pasting quality of strain gauges will directly affect the accuracy of the measurement results. The traditional method of pasting the strain gauges is done manually by the experimenter. In the process of pasting, it is easy to shift or twist the strain gauge, and the experimental results are greatly affected by human factors. In this paper, a novel type automatic pasting device for strain gauges is designed and developed, which can be used to accurately and rapidly paste the strain gauges. The paste quality is reliable, and it can guarantee the consistency of SHPB experimental measurement. We found that a clamping force of 74 N achieved a success rate of 97%, whilst ensuring good adhesion.

Definition of Shifts of Optical Transitions Frequencies due to Pulse Perturbation Action by the Photon Echo Signal Form

NASA Astrophysics Data System (ADS)

Lisin, V. N.; Shegeda, A. M.; Samartsev, V. V.

2015-09-01

A relative phase shift between the different groups of excited dipoles, which appears as result of its frequency splitting due to action of a pulse of electric or magnetic fields, depends on a time, if the pulse overlaps in time with echo-pulse. As а consequence, the echo waveform is changed. The echo time form is modulated. The inverse modulation period well enough approximates Zeeman and pseudo-Stark splitting in the cases of magnetic and, therefore, electrical fields. Thus the g-factors of ground 4I15/2 and excited 4F9/2 optical states of Er3+ ion in LuLiF4 and YLiF4 have been measured and pseudo-Stark shift of R1 line in ruby has been determined.

Optical signal splitting and chirping device modeling

NASA Astrophysics Data System (ADS)

Vinogradova, Irina L.; Andrianova, Anna V.; Meshkov, Ivan K.; Sultanov, Albert Kh.; Abdrakhmanova, Guzel I.; Grakhova, Elizaveta P.; Ishmyarov, Arsen A.; Yantilina, Liliya Z.; Kutlieva, Gulnaz R.

2017-04-01

This article examines the devices for optical signal splitting and chirping device modeling. Models with splitting and switching functions are taken into consideration. The described device for optical signal splitting and chirping represents interferential splitter with profiled mixer which provides allocation of correspondent spectral component from ultra wide band frequency diapason, and signal phase shift for aerial array (AA) directive diagram control. This paper proposes modeling for two types of devices for optical signal splitting and chirping: the interference-type optical signal splitting and chirping device and the long-distance-type optical signal splitting and chirping device.

Fee Splitting among General Practitioners: A Cross-Sectional Study in Iran.

PubMed

Parsa, Mojtaba; Larijani, Bagher; Aramesh, Kiarash; Nedjat, Saharnaz; Fotouhi, Akbar; Yekaninejad, Mir Saeed; Ebrahimian, Nejatollah; Kandi, Mohamad Jafar

2016-12-01

Fee splitting is a process whereby a physician refers a patient to another physician or a healthcare facility and receives a portion of the charge in return. This survey was conducted to study general practitioners' (GPs) attitudes toward fee splitting as well as the prevalence, causes, and consequences of this process. This is a cross-sectional study on 223 general practitioners in 2013. Concerning the causes and consequences of fee splitting, an unpublished qualitative study was conducted by interviewing a number of GPs and specialists and the questionnaire options were the results of the information obtained from this study. Of the total 320 GPs, 247 returned the questionnaires. The response rate was 77.18%. Of the 247 returned questionnaires, 223 fulfilled the inclusion criteria. Among the participants, 69.1% considered fee splitting completely wrong and 23.2% (frequently or rarely) practiced fee splitting. The present study showed that the prevalence of fee splitting among physicians who had positive attitudes toward fee splitting was 4.63 times higher than those who had negative attitudes. In addition, this study showed that, compared to private hospitals, fee splitting is less practiced in public hospitals. The major cause of fee splitting was found to be unrealistic/unfair tariffs and the main consequence of fee splitting was thought to be an increase in the number of unnecessary patient referrals. Fee splitting is an unethical act, contradicts the goals of the medical profession, and undermines patient's best interest. In Iran, there is no code of ethics on fee splitting, but in this study, it was found that the majority of GPs considered it unethical. However, among those who had negative attitudes toward fee splitting, there were physicians who did practice fee splitting. The results of the study showed that physicians who had a positive attitude toward fee splitting practiced it more than others. Therefore, if physicians consider fee splitting unethical, its rate will certainly decrease. The study claims that to decrease such practice, the healthcare system has to revise the tariffs.

The SDSS-IV extended Baryon Oscillation Spectroscopic Survey: Overview and early data

DOE PAGES

Kyle S. Dawson

2016-02-04

In a six-year program started in 2014 July, the Extended Baryon Oscillation Spectroscopic Survey (eBOSS) will conduct novel cosmological observations using the BOSS spectrograph at Apache Point Observatory. These observations will be conducted simultaneously with the Time Domain Spectroscopic Survey (TDSS) designed for variability studies and the Spectroscopic Identification of eROSITA Sources (SPIDERS) program designed for studies of X-ray sources. In particular, eBOSS will measure with percent-level precision the distance-redshift relation with baryon acoustic oscillations (BAO) in the clustering of matter. eBOSS will use four different tracers of the underlying matter density field to vastly expand the volume covered bymore » BOSS and map the large-scale-structures over the relatively unconstrained redshift range 0.6 < z < 2.2. Using more than 250,000 new, spectroscopically confirmed luminous red galaxies at a median redshift z = 0.72, we project that eBOSS will yield measurements of the angular diameter distance d A(z) to an accuracy of 1.2% and measurements of H(z) to 2.1% when combined with the z > 0.6 sample of BOSS galaxies. With ~195,000 new emission line galaxy redshifts, we expect BAO measurements of d A(z) to an accuracy of 3.1% and H(z) to 4.7% at an effective redshift of z = 0.87. A sample of more than 500,000 spectroscopically confirmed quasars will provide the first BAO distance measurements over the redshift range 0.9 < z < 2.2, with expected precision of 2.8% and 4.2% on d A(z) and H(z), respectively. Finally, with 60,000 new quasars and re-observation of 60,000 BOSS quasars, we will obtain new Lyα forest measurements at redshifts z > 2.1; these new data will enhance the precision of d A(z) and H(z) at z > 2.1 by a factor of 1.44 relative to BOSS. Furthermore, eBOSS will provide improved tests of General Relativity on cosmological scales through redshift-space distortion measurements, improved tests for non-Gaussianity in the primordial density field, and new constraints on the summed mass of all neutrino species. Lastly, we provide an overview of the cosmological goals, spectroscopic target sample, demonstration of spectral quality from early data, and projected cosmological constraints from eBOSS.« less

The SDSS-IV extended Baryon Oscillation Spectroscopic Survey: Overview and early data

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

Kyle S. Dawson

In a six-year program started in 2014 July, the Extended Baryon Oscillation Spectroscopic Survey (eBOSS) will conduct novel cosmological observations using the BOSS spectrograph at Apache Point Observatory. These observations will be conducted simultaneously with the Time Domain Spectroscopic Survey (TDSS) designed for variability studies and the Spectroscopic Identification of eROSITA Sources (SPIDERS) program designed for studies of X-ray sources. In particular, eBOSS will measure with percent-level precision the distance-redshift relation with baryon acoustic oscillations (BAO) in the clustering of matter. eBOSS will use four different tracers of the underlying matter density field to vastly expand the volume covered bymore » BOSS and map the large-scale-structures over the relatively unconstrained redshift range 0.6 < z < 2.2. Using more than 250,000 new, spectroscopically confirmed luminous red galaxies at a median redshift z = 0.72, we project that eBOSS will yield measurements of the angular diameter distance d A(z) to an accuracy of 1.2% and measurements of H(z) to 2.1% when combined with the z > 0.6 sample of BOSS galaxies. With ~195,000 new emission line galaxy redshifts, we expect BAO measurements of d A(z) to an accuracy of 3.1% and H(z) to 4.7% at an effective redshift of z = 0.87. A sample of more than 500,000 spectroscopically confirmed quasars will provide the first BAO distance measurements over the redshift range 0.9 < z < 2.2, with expected precision of 2.8% and 4.2% on d A(z) and H(z), respectively. Finally, with 60,000 new quasars and re-observation of 60,000 BOSS quasars, we will obtain new Lyα forest measurements at redshifts z > 2.1; these new data will enhance the precision of d A(z) and H(z) at z > 2.1 by a factor of 1.44 relative to BOSS. Furthermore, eBOSS will provide improved tests of General Relativity on cosmological scales through redshift-space distortion measurements, improved tests for non-Gaussianity in the primordial density field, and new constraints on the summed mass of all neutrino species. Lastly, we provide an overview of the cosmological goals, spectroscopic target sample, demonstration of spectral quality from early data, and projected cosmological constraints from eBOSS.« less

Reliability and Validity of the Chinese Version of FACIT-AI, a New Tool for Assessing Quality of Life in Patients with Malignant Ascites.

PubMed

Lou, Yanni; Lu, Linghui; Li, Yuan; Liu, Meng; Bredle, Jason M; Jia, Liqun

2015-10-01

The study objective was to determine the reliability and validity of the Chinese version of the Functional Assessment of Chronic Illness Therapy - Ascites Index (FACIT-AI). A forward-backward translation procedure was adopted to develop the Chinese version of the FACIT-AI, which was tested in 69 patients with malignant ascites. Cronbach's α, split-half reliability, and test-retest reliability were used to assess the reliability of the scale. The content validity index was used to assess the content validity, while factor analysis was used for construct validity and correlation analysis was used for criterion validity. The Cronbach's α was 0.772 for the total scale, and the split-half reliability was 0.693. The test-retest correlation was 0.972. The content validity index for the scale was 0.8-1.0. Four factors were extracted by factor analysis, and these contributed 63.51% of the total variance. Item-total correlations ranged from 0.591 to 0.897, and these were correlated with visual analog scale scores (correlation coefficient, 0.889; P<0.01). The Chinese version of the FACIT-AI has good reliability and validity and can be used as a tool to measure quality of life in Chinese patients with malignant ascites.

Studies of the g factors of the ground 4A2 and the first excited 2E state of Cr 3+ ions in emerald

NASA Astrophysics Data System (ADS)

Wei, Qun; Guo, Li-Xin; Yang, Zi-Yuan; Wei, Bing

2011-09-01

By using complete diagonalization method, the zero-field splitting and g factors of the ground 4A2 and the first excited 2E states of Cr 3+ ions in emerald are calculated. The theoretical results are in good agreement with the experimental data. The dependencies of the g factors on the crystal field parameters, including Dq, v, and v', have been studied. It is shown that, the g factors of the ground state varied with the crystal field parameters approximately in a linear way, but the g factors of the first excited state varied nonlinearly with these parameters.

Backscattering enhancement factor dependence of a Laguerre-Gaussian laser beam propagating on the location path in the atmosphere on optical turbulence intensity

NASA Astrophysics Data System (ADS)

Rytchkov, D. S.

2017-11-01

The paper presents the results of a study of the backscattering enhancement factor (BSE) dependence of vortex LaguerreGaussian beams propagating on monostatic location paths in the atmosphere on optical turbulence intensity. The numeric simulation split-step method of laser beam propagation was used to obtain BSE factor values of a laser beam propagated on monostatic location path in the turbulent atmosphere and reflected from a diffuse target. It is shown that BSE factor of the averaged intensity of a backscattered vortex laser beam of any topological charge is less than BSE factor values of backscattered Gaussian beam in arbitrary turbulent conditions.

Approaches of aroma extraction dilution analysis (AEDA) for headspace solid phase microextraction and gas chromatography-olfactometry (HS-SPME-GC-O): Altering sample amount, diluting the sample or adjusting split ratio?

PubMed

Feng, Yunzi; Cai, Yu; Sun-Waterhouse, Dongxiao; Cui, Chun; Su, Guowan; Lin, Lianzhu; Zhao, Mouming

2015-11-15

Aroma extract dilution analysis (AEDA) is widely used for the screening of aroma-active compounds in gas chromatography-olfactometry (GC-O). In this study, three aroma dilution methods, (I) using different test sample volumes, (II) diluting samples, and (III) adjusting the GC injector split ratio, were compared for the analysis of volatiles by using HS-SPME-AEDA. Results showed that adjusting the GC injector split ratio (III) was the most desirable approach, based on the linearity relationships between Ln (normalised peak area) and Ln (normalised flavour dilution factors). Thereafter this dilution method was applied in the analysis of aroma-active compounds in Japanese soy sauce and 36 key odorants were found in this study. The most intense aroma-active components in Japanese soy sauce were: ethyl 2-methylpropanoate, ethyl 2-methylbutanoate, ethyl 3-methylbutanoate, ethyl 4-methylpentanoate, 3-(methylthio)propanal, 1-octen-3-ol, 2-methoxyphenol, 4-ethyl-2-methoxyphenol, 2-methoxy-4-vinylphenol, 2-phenylethanol, and 4-hydroxy-5-ethyl-2-methyl-3(2H)-furanone. Copyright © 2015. Published by Elsevier Ltd.

Chemical and structural characterization of a model Post-Termination Complex (PoTC) for the ribosome recycling reaction: Evidence for the release of the mRNA by RRF and EF-G

PubMed Central

Iwakura, Nobuhiro; Yokoyama, Takeshi; Quaglia, Fabio; Mitsuoka, Kaoru; Mio, Kazuhiro; Shigematsu, Hideki; Shirouzu, Mikako; Kaji, Akira; Kaji, Hideko

2017-01-01

A model Post-Termination Complex (PoTC) used for the discovery of Ribosome Recycling Factor (RRF) was purified and characterized by cryo-electron microscopic analysis and biochemical methods. We established that the model PoTC has mostly one tRNA, at the P/E or P/P position, together with one mRNA. The structural studies were supported by the biochemical measurement of bound tRNA and mRNA. Using this substrate, we establish that the release of tRNA, release of mRNA and splitting of ribosomal subunits occur during the recycling reaction. Order of these events is tRNA release first followed by mRNA release and splitting almost simultaneously. Moreover, we demonstrate that IF3 is not involved in any of the recycling reactions but simply prevents the re-association of split ribosomal subunits. Our finding demonstrates that the important function of RRF includes the release of mRNA, which is often missed by the use of a short ORF with the Shine-Dalgarno sequence near the termination site. PMID:28542628

Implicit-Explicit Time Integration Methods for Non-hydrostatic Atmospheric Models

NASA Astrophysics Data System (ADS)

Gardner, D. J.; Guerra, J. E.; Hamon, F. P.; Reynolds, D. R.; Ullrich, P. A.; Woodward, C. S.

2016-12-01

The Accelerated Climate Modeling for Energy (ACME) project is developing a non-hydrostatic atmospheric dynamical core for high-resolution coupled climate simulations on Department of Energy leadership class supercomputers. An important factor in computational efficiency is avoiding the overly restrictive time step size limitations of fully explicit time integration methods due to the stiffest modes present in the model (acoustic waves). In this work we compare the accuracy and performance of different Implicit-Explicit (IMEX) splittings of the non-hydrostatic equations and various Additive Runge-Kutta (ARK) time integration methods. Results utilizing the Tempest non-hydrostatic atmospheric model and the ARKode package show that the choice of IMEX splitting and ARK scheme has a significant impact on the maximum stable time step size as well as solution quality. Horizontally Explicit Vertically Implicit (HEVI) approaches paired with certain ARK methods lead to greatly improved runtimes. With effective preconditioning IMEX splittings that incorporate some implicit horizontal dynamics can be competitive with HEVI results. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. LLNL-ABS-699187

Pharmaceutical counselling about different types of tablet-splitting methods based on the results of weighing tests and mechanical development of splitting devices.

PubMed

Somogyi, O; Meskó, A; Csorba, L; Szabó, P; Zelkó, R

2017-08-30

The division of tablets and adequate methods of splitting them are a complex problem in all sectors of health care. Although tablet-splitting is often required, this procedure can be difficult for patients. Four tablets were investigated with different external features (shape, score-line, film-coat and size). The influencing effect of these features and the splitting methods was investigated according to the precision and "weight loss" of splitting techniques. All four types of tablets were halved by four methods: by hand, with a kitchen knife, with an original manufactured splitting device and with a modified tablet splitter based on a self-developed mechanical model. The mechanical parameters (harness and friability) of the products were measured during the study. The "weight loss" and precision of splitting methods were determined and compared by statistical analysis. On the basis of the results, the external features (geometry), the mechanical parameters of tablets and the mechanical structure of splitting devices can influence the "weight loss" and precision of tablet-splitting. Accordingly, a new decision-making scheme was developed for the selection of splitting methods. In addition, the skills of patients and the specialties of therapy should be considered so that pharmaceutical counselling can be more effective regarding tablet-splitting. Copyright © 2017 Elsevier B.V. All rights reserved.

Prognostic Factors for Survival in Patients with Gastric Cancer using a Random Survival Forest

PubMed

Adham, Davoud; Abbasgholizadeh, Nategh; Abazari, Malek

2017-01-01

Background: Gastric cancer is the fifth most common cancer and the third top cause of cancer related death with about 1 million new cases and 700,000 deaths in 2012. The aim of this investigation was to identify important factors for outcome using a random survival forest (RSF) approach. Materials and Methods: Data were collected from 128 gastric cancer patients through a historical cohort study in Hamedan-Iran from 2007 to 2013. The event under consideration was death due to gastric cancer. The random survival forest model in R software was applied to determine the key factors affecting survival. Four split criteria were used to determine importance of the variables in the model including log-rank, conversation?? of events, log-rank score, and randomization. Efficiency of the model was confirmed in terms of Harrell’s concordance index. Results: The mean age of diagnosis was 63 ±12.57 and mean and median survival times were 15.2 (95%CI: 13.3, 17.0) and 12.3 (95%CI: 11.0, 13.4) months, respectively. The one-year, two-year, and three-year rates for survival were 51%, 13%, and 5%, respectively. Each RSF approach showed a slightly different ranking order. Very important covariates in nearly all the 4 RSF approaches were metastatic status, age at diagnosis and tumor size. The performance of each RSF approach was in the range of 0.29-0.32 and the best error rate was obtained by the log-rank splitting rule; second, third, and fourth ranks were log-rank score, conservation of events, and the random splitting rule, respectively. Conclusion: Low survival rate of gastric cancer patients is an indication of absence of a screening program for early diagnosis of the disease. Timely diagnosis in early phases increases survival and decreases mortality. Creative Commons Attribution License

Time series evaluation of an intervention to increase statin tablet splitting by general practitioners.

PubMed

Polinski, Jennifer M; Schneeweiss, Sebastian; Maclure, Malcolm; Marshall, Blair; Ramsden, Samuel; Dormuth, Colin

2011-02-01

Tablet splitting, in which a higher-dose tablet is split to get 2 doses, reduces patients' drug costs. Statins can be split safely. General practitioners (GPs) may not direct their patients to split statins because of safety concerns or unawareness of costs. Medical chart inserts provide cost-effective education to physicians. The aim of this study was to assess whether providing GPs with statin-splitting chart inserts would increase splitting rates, and to identify predictors of splitting. In 2005 and 2006, we faxed a statin chart insert to British Columbia GPs with a request for a telephone interview. Consenting GPs were mailed 3 statin chart inserts and interviewed by phone (the intervention). In an interrupted time series, we compared monthly rates of statin-splitting prescriptions among intervention and nonintervention GPs before, during, and after the intervention. In multivariate logistic regressions accounting for patient clustering, predictors of splitting included physician and patient demographics and the specific statin prescribed. Of 5051 GPs reached, 282 (6%) agreed to the intervention. Before the intervention, GPs' splitting rate was 2.6%; after intervention, GPs' splitting rate was 7.5%. The rate for the nonintervention GPs was 4.4%. Intervention GPs were 1.68 (95% CI, 1.12-2.53) times more likely to prescribe splitting after the intervention than were nonintervention GPs. Other predictors were a patient's female sex (odds ratio [OR] = 1.26; 95% CI, 1.18-1.34), lower patient income (OR = 1.33; 95% CI, 1.18-1.34), and a lack of drug insurance (OR = 1.89; 95% CI, 1.69-2.04). An inexpensive intervention was effective in producing a sustained increase in GPs' splitting rate during 22 months of observed follow-up. Expanding statin-splitting education to all GPs might reduce prescription costs for many patients and payors. Copyright © 2011 Elsevier HS Journals, Inc. All rights reserved.

Time series evaluation of an intervention to increase statin tablet splitting by general practitioners

PubMed Central

Polinski, Jennifer M.; Schneeweiss, Sebastian; Maclure, Malcolm; Marshall, Blair; Ramsden, Samuel; Dormuth, Colin

2011-01-01

Background Tablet splitting, in which a higher-dose tablet is split to get two doses, reduces patients’ drug costs. Statins can be split safely. General practitioners (GPs) may not direct their patients to split statins because of safety concerns or unawareness of costs. Medical chart inserts provide cost-effective education to physicians. We evaluated whether providing GPs with statin splitting chart inserts would increase splitting rates and identified predictors of splitting. Methods In 2005–2006, we faxed a statin chart insert to British Columbia GPs with a request for a telephone interview. Consenting GPs were mailed 3 statin chart inserts and interviewed by phone (the intervention). In an interrupted time series, we compared monthly rates of statin splitting prescriptions among intervention and non-intervention GPs before, during, and after the intervention. In multivariate logistic regressions accounting for patient clustering, predictors of splitting included physician and patient demographics and the specific statin prescribed. Results Of 5,051 GPs reached, 282 (6%) agreed to the intervention. Before the intervention, GPs’ splitting rate was 2.6%; after, intervention GPs’ splitting rate was 7.5%, non-intervention GPs’ was 4.4%. Intervention GPs were 1.68 (95% CI 1.12–2.53) times more likely to prescribe splitting after the intervention than were non-intervention GPs. Other predictors were a patient’s female sex (OR=1.26, 95% CI 1.18–1.34), lower patient income (OR=1.33, 95% CI 1.18–1.34), and no drug insurance (OR=1.89, 95% CI 1.69–2.04). Interpretation An inexpensive intervention was effective in producing a sustained increase in GPs’ splitting rate during 22 months of observed follow-up. Expanding statin splitting education to all GPs could reduce prescription costs for many patients and payors. PMID:21497707

Research in Evaluation Methods for Data Fusion-Capable Tactical Platforms and Distributed Multi-platform Systems in Electronic Warfare and Information-Warfare Related Missions

DTIC Science & Technology

2009-02-01

They support their launches until both outside reds are killed or until second shots are needed. In the baseline scenario shown, US2 achieves 2 kills ...red 5/6 kills . The SUT gate multiplication factor was 5 and 15. The PE gate multiplication factors of 3 and 5, PE designs for Vogel and Hungarian... ploughed in various sections of this land by splitting it into sub plots came to be known as the subplot factor. Such a design is used only when there

Generalized field-splitting algorithms for optimal IMRT delivery efficiency.

PubMed

Kamath, Srijit; Sahni, Sartaj; Li, Jonathan; Ranka, Sanjay; Palta, Jatinder

2007-09-21

Intensity-modulated radiation therapy (IMRT) uses radiation beams of varying intensities to deliver varying doses of radiation to different areas of the tissue. The use of IMRT has allowed the delivery of higher doses of radiation to the tumor and lower doses to the surrounding healthy tissue. It is not uncommon for head and neck tumors, for example, to have large treatment widths that are not deliverable using a single field. In such cases, the intensity matrix generated by the optimizer needs to be split into two or three matrices, each of which may be delivered using a single field. Existing field-splitting algorithms used the pre-specified arbitrary split line or region where the intensity matrix is split along a column, i.e., all rows of the matrix are split along the same column (with or without the overlapping of split fields, i.e., feathering). If three fields result, then the two splits are along the same two columns for all rows. In this paper we study the problem of splitting a large field into two or three subfields with the field width as the only constraint, allowing for an arbitrary overlap of the split fields, so that the total MU efficiency of delivering the split fields is maximized. Proof of optimality is provided for the proposed algorithm. An average decrease of 18.8% is found in the total MUs when compared to the split generated by a commercial treatment planning system and that of 10% is found in the total MUs when compared to the split generated by our previously published algorithm.

Linking groundwater dissolved organic matter to sedimentary organic matter from a fluvio-lacustrine aquifer at Jianghan Plain, China by EEM-PARAFAC and hydrochemical analyses.

PubMed

Huang, Shuang-bing; Wang, Yan-xin; Ma, Teng; Tong, Lei; Wang, Yan-yan; Liu, Chang-rong; Zhao, Long

2015-10-01

The sources of dissolved organic matter (DOM) in groundwater are important to groundwater chemistry and quality. This study examined similarities in the nature of DOM and investigated the link between groundwater DOM (GDOM) and sedimentary organic matter (SOM) from a lacustrine-alluvial aquifer at Jianghan Plain. Sediment, groundwater and surface water samples were employed for SOM extraction, optical and/or chemical characterization, and subsequent fluorescence excitation-emission matrix (EEM) and parallel factor analyses (PARAFAC). Spectroscopic properties of bulk DOM pools showed that indices indicative of GDOM (e.g., biological source properties, humification level, aromaticity and molecule mobility) varied within the ranges of those of two extracted end-members of SOM: humic-like materials and microbe-associated materials. The coexistence of PARAFAC compositions and the sustaining internal relationship between GDOM and extracted SOM indicate a similar source. The results from principal component analyses with selected spectroscopic indices showed that GDOM exhibited a transition trend regarding its nature: from refractory high-humification DOM to intermediate humification DOM and then to microbe-associated DOM, with decreasing molecular weight. Correlations of spectroscopic indices with physicochemical parameters of the groundwater suggested that GDOM was released from SOM and was modified by microbial diagenetic processes. The current study demonstrated the associations of GDOM with SOM from a spectroscopic viewpoint and provided new evidence supporting SOM as the source of GDOM. Copyright © 2015 Elsevier B.V. All rights reserved.

Sensitivity-encoded (SENSE) proton echo-planar spectroscopic imaging (PEPSI) in the human brain.

PubMed

Lin, Fa-Hsuan; Tsai, Shang-Yueh; Otazo, Ricardo; Caprihan, Arvind; Wald, Lawrence L; Belliveau, John W; Posse, Stefan

2007-02-01

Magnetic resonance spectroscopic imaging (MRSI) provides spatially resolved metabolite information that is invaluable for both neuroscience studies and clinical applications. However, lengthy data acquisition times, which are a result of time-consuming phase encoding, represent a major challenge for MRSI. Fast MRSI pulse sequences that use echo-planar readout gradients, such as proton echo-planar spectroscopic imaging (PEPSI), are capable of fast spectral-spatial encoding and thus enable acceleration of image acquisition times. Combining PEPSI with recent advances in parallel MRI utilizing RF coil arrays can further accelerate MRSI data acquisition. Here we investigate the feasibility of ultrafast spectroscopic imaging at high field (3T and 4T) by combining PEPSI with sensitivity-encoded (SENSE) MRI using eight-channel head coil arrays. We show that the acquisition of single-average SENSE-PEPSI data at a short TE (15 ms) can be accelerated to 32 s or less, depending on the field strength, to obtain metabolic images of choline (Cho), creatine (Cre), N-acetyl-aspartate (NAA), and J-coupled metabolites (e.g., glutamate (Glu) and inositol (Ino)) with acceptable spectral quality and localization. The experimentally measured reductions in signal-to-noise ratio (SNR) and Cramer-Rao lower bounds (CRLBs) of metabolite resonances were well explained by both the g-factor and reduced measurement times. Thus, this technology is a promising means of reducing the scan times of 3D acquisitions and time-resolved 2D measurements. Copyright (c) 2007 Wiley-Liss, Inc.

Modeling vehicle operating speed on urban roads in Montreal: a panel mixed ordered probit fractional split model.

PubMed

Eluru, Naveen; Chakour, Vincent; Chamberlain, Morgan; Miranda-Moreno, Luis F

2013-10-01

Vehicle operating speed measured on roadways is a critical component for a host of analysis in the transportation field including transportation safety, traffic flow modeling, roadway geometric design, vehicle emissions modeling, and road user route decisions. The current research effort contributes to the literature on examining vehicle speed on urban roads methodologically and substantively. In terms of methodology, we formulate a new econometric model framework for examining speed profiles. The proposed model is an ordered response formulation of a fractional split model. The ordered nature of the speed variable allows us to propose an ordered variant of the fractional split model in the literature. The proposed formulation allows us to model the proportion of vehicles traveling in each speed interval for the entire segment of roadway. We extend the model to allow the influence of exogenous variables to vary across the population. Further, we develop a panel mixed version of the fractional split model to account for the influence of site-specific unobserved effects. The paper contributes substantively by estimating the proposed model using a unique dataset from Montreal consisting of weekly speed data (collected in hourly intervals) for about 50 local roads and 70 arterial roads. We estimate separate models for local roads and arterial roads. The model estimation exercise considers a whole host of variables including geometric design attributes, roadway attributes, traffic characteristics and environmental factors. The model results highlight the role of various street characteristics including number of lanes, presence of parking, presence of sidewalks, vertical grade, and bicycle route on vehicle speed proportions. The results also highlight the presence of site-specific unobserved effects influencing the speed distribution. The parameters from the modeling exercise are validated using a hold-out sample not considered for model estimation. The results indicate that the proposed panel mixed ordered probit fractional split model offers promise for modeling such proportional ordinal variables. Copyright © 2013 Elsevier Ltd. All rights reserved.

Antecedent thermal injury worsens split-thickness skin graft quality: A clinically relevant porcine model of full-thickness burn, excision and grafting.

PubMed

Carlsson, Anders H; Rose, Lloyd F; Fletcher, John L; Wu, Jesse C; Leung, Kai P; Chan, Rodney K

2017-02-01

Current standard of care for full-thickness burn is excision followed by autologous split-thickness skin graft placement. Skin grafts are also frequently used to cover surgical wounds not amenable to linear closure. While all grafts have potential to contract, clinical observation suggests that antecedent thermal injury worsens contraction and impairs functional and aesthetic outcomes. This study evaluates the impact of antecedent full-thickness burn on split-thickness skin graft scar outcomes and the potential mediating factors. Full-thickness contact burns (100°C, 30s) were created on the backs of anesthetized female Yorkshire Pigs. After seven days, burn eschar was tangentially excised and covered with 12/1000th inch (300μm) split-thickness skin graft. For comparison, unburned wounds were created by sharp excision to fat before graft application. From 7 to 120days post-grafting, planimetric measurements, digital imaging and biopsies for histology, immunohistochemistry and gene expression were obtained. At 120days post-grafting, the Observer Scar Assessment Scale, colorimetry, contour analysis and optical graft height assessments were performed. Twenty-nine porcine wounds were analyzed. All measured metrics of clinical skin quality were significantly worse (p<0.05) in burn injured wounds. Histological analysis supported objective clinical findings with marked scar-like collagen proliferation within the dermis, increased vascular density, and prolonged and increased cellular infiltration. Observed differences in contracture also correlated with earlier and more prominent myofibroblast differentiation as demonstrated by α-SMA staining. Antecedent thermal injury worsens split-thickness skin graft quality, likely by multiple mechanisms including burn-related inflammation, microscopically inadequate excision, and dysregulation of tissue remodeling. A valid, reliable, clinically relevant model of full-thickness burn, excision and skin replacement therapy has been demonstrated. Future research to enhance quality of skin replacement therapies should be directed toward modulation of inflammation and assessments for complete excision. Copyright © 2016 Elsevier Ltd and ISBI. All rights reserved.

Improved Fast Centralized Retransmission Scheme for High-Layer Functional Split in 5G Network

NASA Astrophysics Data System (ADS)

Xu, Sen; Hou, Meng; Fu, Yu; Bian, Honglian; Gao, Cheng

2018-01-01

In order to satisfy the varied 5G critical requirements and the virtualization of the RAN hardware, a two-level architecture for 5G RAN has been studied in 3GPP 5G SI stage. The performance of the PDCP-RLC split option and intra-RLC split option, two mainly concerned options for high layer functional split, exist an ongoing debate. This paper firstly gives an overview of CU-DU split study work in 3GPP. By the comparison of implementation complexity, the standardization impact and system performance, our evaluation result shows the PDCP-RLC split Option outperforms the intra-RLC split option. Aiming to how to reduce the retransmission delay during the intra-CU inter-DU handover, the mainly drawback of PDCP-RLC split option, this paper proposes an improved fast centralized retransmission solution with a low implementation complexity. Finally, system level simulations show that the PDCP-RLC split option with the proposed scheme can significantly improve the UE’s experience.