Spectra of solar proton ground level events using neutron monitor and neutron moderated detector recordings

NASA Technical Reports Server (NTRS)

Stoker, P. H.

1985-01-01

Recordings on relativistic solar flare protons observed at Sanae, Antarctic, show that the percentage increase in counting rates of the neutron moderated detector (4NMD) is larger than the percentage increase in counting rates of the 3NM64 neutron monitor. These relative increases are described by solar proton differential spectra j sub s(P) = AP(beta). The power beta is determined for each event and the hardnesses of the temporal variations of beta, found for the ground level events (GLE) of 7 May, 1978 and 22 November, 1977.

Spectral investigations of amino acid picrates.

PubMed

Briget Mary, M; Sasirekha, V; Ramakrishnan, V

2006-10-01

FTIR and laser Raman spectra of beta-alanine beta-alaninium picrate and dl-phenylalanine dl-phenylalaninium picrate crystals of space group P1 (C(i)) have been me in the 4000-50 cm(-1) range, at room temperature. The former crystal consists of beta-alanine beta-alaninium and the later dl-phenylalanine dl-phenylalaninium as cations. The presence of both carbonyl (CO) and carboxylate COO(-) groups in these crystals is the evidence for the existence of the zwitterion and the protonated forms. Factor group analysis has been made and the numbers of vibrational modes have been calculated. The tentative assignments of the observed bands are given. Fermi resonance has also been observed in one of the crystal beta-alanine beta-alaninium picrate. The picrate group forms the anion in both crystals and the characteristic bands nu(as)NO(2), nu(s)NO(2), and nu(phen)C-O stretching are observed in the spectra. These suggest that the picrate ion is unaffected by the presence of the cations.

Beta- and gamma-dose measurements of the Godiva IV critical assembly.

PubMed

Hankins, D E

1984-03-01

To aid in the re-evaluation of an exposure that occurred in 1963, information was required on the response of film badges to the beta- and gamma-ray doses from a critical assembly. Of particular interest was the beta spectra from the assembly. The techniques used and the results obtained in this study are of interest to health physicists at facilities where exposures to betas occur. The dose rates from the Los Alamos National Laboratory Godiva IV Critical Assembly were measured at numerous distances from the assembly four and 12 days following a burst. Information was obtained on the beta-particle spectra using absorption curve studies. The beta/gamma dose-rate ratio as a function of distance from the assembly was determined. Shielding provided by various metals, gloves and clothing was measured. The beta- and gamma-ray doses measured were compared with a film packet used in the past at the Nevada Test Site with two types of current TLD personnel badges. Measurements made with a commercial thin-window ion chamber instrument are compared with the dose rates obtained using other dosimeters.

Analysis of protein circular dichroism spectra for secondary structure using a simple matrix multiplication.

PubMed

Compton, L A; Johnson, W C

1986-05-15

Inverse circular dichroism (CD) spectra are presented for each of the five major secondary structures of proteins: alpha-helix, antiparallel and parallel beta-sheet, beta-turn, and other (random) structures. The fraction of the each secondary structure in a protein is predicted by forming the dot product of the corresponding inverse CD spectrum, expressed as a vector, with the CD spectrum of the protein digitized in the same way. We show how this method is based on the construction of the generalized inverse from the singular value decomposition of a set of CD spectra corresponding to proteins whose secondary structures are known from X-ray crystallography. These inverse spectra compute secondary structure directly from protein CD spectra without resorting to least-squares fitting and standard matrix inversion techniques. In addition, spectra corresponding to the individual secondary structures, analogous to the CD spectra of synthetic polypeptides, are generated from the five most significant CD eigenvectors.

Comparison of new and existing algorithms for the analysis of 2D radioxenon beta gamma spectra

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

Deshmukh, Nikhil; Prinke, Amanda; Miller, Brian

2017-01-13

The aim of this paper is to compare radioxenon beta-gamma analysis algorithms using simulated spectra with experimentally measured background, where the ground truth of the signal is known. We believe that this is among the largest efforts to date in terms of the number of synthetic spectra generated and number of algorithms compared using identical spectra. We generate an estimate for the Minimum Detectable Counts (MDC) for each isotope using each algorithm. The paper also points out a conceptual model to put the various algorithms into a continuum. Our results show that existing algorithms can be improved and some newermore » algorithms can be better than the currently used ones.« less

Complete structure of the polysaccharide from Streptococcus sanguis J22

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

Abeygunawardana, C.; Bush, C.A.; Cisar, J.O.

1990-01-09

The cell wall polysaccharides of certain oral streptococci such as Streptococcus sanguis strains 34 and J22, although immunologically distinct, act as receptors for the fimbrial lectins of Actinomyces viscosus T14V. The authors report the complete covalent structure of the polysaccharide from S. sanguis J22 which is composed of a heptasaccharide subunit linked by phosphodiester bonds. The repeating subunit, which contains {alpha}-GalNAc, {alpha}-rhamnose, {beta}-rhamnose, {beta}-glucose, and {beta}-galactose all in the pyranoside form and {beta}-galactofuranose, is compared with the previously published structure of the polysaccharide from strain 34. The structure has been determined almost exclusively by high-resolution nuclear magnetic resonance methods. Themore » {sup 1}H and {sup 13}C NMR spectra of the polysaccharides from both strains 34 and J22 have been completely assigned. The stereochemistry of pyranosides was assigned from J{sub H-H} values determined from phase-sensitive COSY spectra, and acetamido sugars were assigned by correlation of the resonances of the amide {sup 1}H with the sugar ring protons. The {sup 13}C spectra were assigned by {sup 1}H-detected multiple-quantum correlation (HMQC) spectra, and the assignments were confirmed by {sup 1}H-detected multiple-bond correlation (HMBC) spectra. The positions of the glycosidic linkages were assigned by detection of three-bond {sup 1}H-{sup 13}C correlation across the glycosidic linkage in the HMBC spectra. The positions of the phosphodiester linkages were determined by splittings observed in the {sup 13}C resonances due to {sup 31}P coupling and also by {sup 1}H-detected {sup 31}P correlation spectroscopy.« less

Distinguishing fissions of 232Th, 237Np and 238U with beta-delayed gamma rays

DOE PAGES

Iyengar, A.; Norman, E. B.; Howard, C.; ...

2013-04-08

Measurements of beta-delayed gamma-ray spectra following 14-MeV neutron-induced fissions of 232Th, 238U, and 237Np were conducted at Lawrence Berkeley National Laboratory’s 88-Inch Cyclotron. Spectra were collected for times ranging from 1 minute to 14 hours after irradiation. Lastly, intensity ratios of gamma-ray lines were extracted from the data that allow identification of the fissioning isotope.

A program to generate simulated radioxenon beta–gamma data for concentration verification and validation and training exercises

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

McIntyre, Justin I.; Schrom, Brian T.; Cooper, Matthew W.

2016-03-08

Abstract Several hundred simulated radioxenon beta-gamma data files were developed to assist in evaluating the performance and results from radioxenon concentration calculation analysis at the International Data Center (IDC) and other National Data Centers (NDC). PNNL developed a Beta-Gamma Simulator (BGSim) that incorporated GEANT-modeled data sets from radioxenon decay chains, as well as functionality to use nuclear detector-acquired data sets to create new beta-gamma spectra with varying amounts of background, 133Xe, 131mXe, 133mXe, 135Xe, and 222Rn and its decay products. The program has been implemented on a web-based applications platform and allows the user to create very specific data setsmore » that incorporate most of the operational parameters for the current beta-gamma systems deployed in the International Monitoring System (IMS) and the On-site Inspection (OSI) equipment. After an initial beta-gamma simulations program was developed, additional uses began to be identified for the program output: training sets of two-dimensional spectra for data analysts at the IDC and other NDC, spectra for exercises such as the Integrated Field Exercise 2014 (IFE14) held in Jordan at the Dead Sea, and testing new analysis methods and algorithms« less

Influence of detergent concentration on aggregation and spectroscopic properties of light-harvesting complex II.

PubMed

Voigt, Bernd; Krikunova, Maria; Lokstein, Heiko

2008-01-01

Aggregation of photosynthetic light-harvesting complexes strongly influences their spectroscopic properties. Fluorescence yield and excited state lifetimes of the main light-harvesting complex (LHC II) of higher plants strongly depend on its aggregation state. Detergents are commonly used to solubilize membrane proteins and/or to circumvent their aggregation in aqueous environments. Nonlinear polarization spectroscopy in the frequency domain (NLPF) was performed with LHC II over a wide concentration range of the mild detergent n-dodecyl beta-D: -maltoside (beta-DM). Additionally, conventional absorption-, fluorescence- and circular dichroism-spectra were measured.The results indicate that: (i) conventional spectroscopic techniques are not well suited to investigate aggregation effects. NLPF provides a novel approach to overcome this problem: NLPF spectra display dramatic alterations upon even minor beta-DM concentration changes. (ii) Commonly used detergent concentrations (around or slightly above the critical micellar concentration) apparently do not lead to complete trimerization of LHC II. A long-wavelength species in the NLPF spectra (peaking at about 685 nm), indicative of residual aggregation, persists up to DM-concentrations of 0.06%. (iii) High-resolution NLPF spectra indicate the existence of a species with a considerably shortened excited state lifetime. (iv) No indication of denaturation was found even at the highest beta-DM concentrations used. (v) A specific change in interaction between certain chlorophyll(s) b and a xanthophyll molecule, probably neoxanthin, was detected upon aggregation as well as at higher beta-DM concentrations. The results are discussed with respect to the still elusive mechanism of nonradiative dissipation of excess excitation energy in the antenna system.

The Beta Pictoris Phenomenon in A-Shell Stars: Detection of Accreting Gas

NASA Technical Reports Server (NTRS)

Grady, C. A.; Perez, Mario R.; Talavera, A.; McCollum, B.; Rawley, L. A.; England, M. N.; Schlegel, M.

1996-01-01

We present the results of an expanded survey of A-shell stars using IUE high-dispersion spectra and find accreting, circumstellar gas in the line of sight to nine stars, in addition to the previously identified beta Pic, HR 10, and 131 Tau, which can be followed to between +70 and 100 km/s relative to the star. Two of the program stars, HD 88195 and HD 148283, show variable high-velocity gas. Given the small number of IUE spectra for our program stars, detection of high-velocity, accreting gas in 2/3 of the A-shell stars sampled indicates that accretion is an intrinsic part of the A-shell phenomenon and that beta Pic is not unique among main-sequence A stars in exhibiting such activity. Our program stars, as a group, have smaller column densities of high-velocity gas and smaller near-IR excesses compared with beta Pic. These features are consistent with greater central clearing of a remnant debris disk, compared with beta Pic, and suggest that the majority of field A-shell stars are older than beta Pic.

Thermoreflectance characterization of beta-Ga2O3 thin-film nanostrips.

PubMed

Ho, Ching-Hwa; Tseng, Chiao-Yeh; Tien, Li-Chia

2010-08-02

Nanostructure of beta-Ga(2)O(3) is wide-band-gap material with white-light-emission function because of its abundance in gap states. In this study, the gap states and near-band-edge transitions in beta-Ga(2)O(3) nanostrips have been characterized using temperature-dependent thermoreflectance (TR) measurements in the temperature range between 30 and 320 K. Photoluminescence (PL) measurements were carried to identify the gap-state transitions in the beta-Ga(2)O(3) nanostrips. Experimental analysis of the TR spectra revealed that the direct gap (E(0)) of beta-Ga(2)O(3) is 4.656 eV at 300 K. There are a lot of gap-state and near-band-edge (GSNBE) transitions denoted as E(D3), E(W1), E(W2), E(W3), E(D2), EDBex, E(DB), E(D1), E(0), and E(0)' can be detected in the TR and PL spectra at 30 K. Transition origins for the GSNBE features in the beta-Ga(2)O(3) nanostrips are respectively evaluated. Temperature dependences of transition energies of the GSNBE transitions in the beta-Ga(2)O(3) nanostrips are analyzed. The probable band scheme for the GSNBE transitions in the beta-Ga(2)O(3) nanostrips is constructed.

Availability of nuclear decay data in electronic form, including beta spectra not previously published

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

Eckerman, K.F.; Westfall, R.J.; Ryman, J.C.

1994-10-01

The unabridged data used in preparing ICRP Publication 38 (1983) and a monograph of the Medical Internal Radiation Dose (MIRD) Committee are now available in electronic form. The {open_quotes}ICRP38 collection{close_quotes} contains data on the energies and intensities of radiations emitted by 825 radionuclides (those in ICRP Publication 38 plus 13 from the MIRD monograph), and the {open_quotes}MIRD collection{close_quotes} contains data on 242 radionuclides. Each collection consists of a radiations data file and a beta spectra data file. The radiations data file contains the complete listing of the emitted radiations, their types, mean or unique energies, and absolute intensities for eachmore » radionuclide, the probability that a beta particle will be emitted with kinetic energies defined by a standard energy grid. Although summary information from the radiation data files has been published, neither the unabridged data nor the beta spectra have been published. These data files and a data extraction utility, which runs on a personal computer, are available from the Radiation Shielding Information Center at Oak Ridge National Laboratory. 13 refs., 1 fig., 6 tabs.« less

Direct assignment of the cysteinyl, the slowly exchangeable, and the aromatic ring H nuclear magnetic resonances in clostridial-type ferredoxins. [Clostridium acidi-urici, C. pasteurianum, C. perfringens, Peptococcus aerogenes

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

Packer, E.L.; Sweeney, W.V.; Rabinowitz, J.C.

1977-04-10

We have directly assigned the /sup 1/H NMR corresponding to the cysteinyl protons, the slowly exchangeable protons, and the aromatic ring protons in the /sup 1/H NMR spectrum of Clostridium acidi-urici ferredoxin by isotopic labeling and /sup 13/C NMR decoupling techniques. We also show that the resonance pattern in the 8- to 20-ppM (from 2,2-dimethyl-2-sialapentanesulfonic acid) region of the /sup 1/H NMR spectra of oxidized Clostridium acidi-urici, Clostridium pasteurianum, Clostridium perfringens, and Peptococcus aerogenes ferredoxins are very similar, and we assign the resonances in this region by analogy with the spectrum of C. acidi-urici ferredoxin. The /sup 1/H NMR spectramore » of the ..beta.. protons of the cysteinyl residues of these ferredoxins differ, however, from the /sup 1/H NMR spectra of equivalent ..beta.. protons of the methylene carbon atoms bonded via a sulfur atom to (4Fe-4S) clusters in synthetic inorganic analogues. In the spectra of the synthetic compounds, the ..beta.. protons appear as a single resonance shifted 10 ppM from its unbonded reference position. In the spectra of oxidized clostridial ferredoxins, the cysteinyl ..beta.. protons appear as a series of at least eight resolved resonances with shifts that range from 6 to 14 ppM, relative to the free amino acid resonance position.« less

External reflection FTIR of peptide monolayer films in situ at the air/water interface: experimental design, spectra-structure correlations, and effects of hydrogen-deuterium exchange.

PubMed Central

Flach, C R; Brauner, J W; Taylor, J W; Baldwin, R C; Mendelsohn, R

1994-01-01

A Fourier transform infrared spectrometer has been interfaced with a surface balance and a new external reflection infrared sampling accessory, which permits the acquisition of spectra from protein monolayers in situ at the air/water interface. The accessory, a sample shuttle that permits the collection of spectra in alternating fashion from sample and background troughs, reduces interference from water vapor rotation-vibration bands in the amide I and amide II regions of protein spectra (1520-1690 cm-1) by nearly an order of magnitude. Residual interference from water vapor absorbance ranges from 50 to 200 microabsorbance units. The performance of the device is demonstrated through spectra of synthetic peptides designed to adopt alpha-helical, antiparallel beta-sheet, mixed beta-sheet/beta-turn, and unordered conformations at the air/water interface. The extent of exchange on the surface can be monitored from the relative intensities of the amide II and amide I modes. Hydrogen-deuterium exchange may lower the amide I frequency by as much as 11-12 cm-1 for helical secondary structures. This shifts the vibrational mode into a region normally associated with unordered structures and leads to uncertainties in the application of algorithms commonly used for determination of secondary structure from amide I contours of proteins in D2O solution. PMID:7919013

Delayed neutron spectral data for Hansen-Roach energy group structure

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

Campbell, J.M.; Spriggs, G.D.

A detailed knowledge of delayed neutron spectra is important in reactor physics. It not only allows for an accurate estimate of the effective delayed neutron fraction {beta}{sub eff} but also is essential to calculating important reactor kinetic parameters, such as effective group abundances and the ratio of {beta}{sub eff} to the prompt neutron generation time. Numerous measurements of delayed neutron spectra for various delayed neutron precursors have been performed and reported in the literature. However, for application in reactor physics calculations, these spectra are usually lumped into one of the traditional six groups of delayed neutrons in accordance to theirmore » half-lives. Subsequently, these six-group spectra are binned into energy intervals corresponding to the energy intervals of a chosen nuclear cross-section set. In this work, the authors present a set of delayed neutron spectra that were formulated specifically to match Keepin`s six-group parameters and the 16-energy-group Hansen-Roach cross sections.« less

Simultaneous determination of specific alpha and beta emitters by LSC-PLS in water samples.

PubMed

Fons-Castells, J; Tent-Petrus, J; Llauradó, M

2017-01-01

Liquid scintillation counting (LSC) is a commonly used technique for the determination of alpha and beta emitters. However, LSC has poor resolution and the continuous spectra for beta emitters hinder the simultaneous determination of several alpha and beta emitters from the same spectrum. In this paper, the feasibility of multivariate calibration by partial least squares (PLS) models for the determination of several alpha ( nat U, 241 Am and 226 Ra) and beta emitters ( 40 K, 60 Co, 90 Sr/ 90 Y, 134 Cs and 137 Cs) in water samples is reported. A set of alpha and beta spectra from radionuclide calibration standards were used to construct three PLS models. Experimentally mixed radionuclides and intercomparision materials were used to validate the models. The results had a maximum relative bias of 25% when all the radionuclides in the sample were included in the calibration set; otherwise the relative bias was over 100% for some radionuclides. The results obtained show that LSC-PLS is a useful approach for the simultaneous determination of alpha and beta emitters in multi-radionuclide samples. However, to obtain useful results, it is important to include all the radionuclides expected in the studied scenario in the calibration set. Copyright © 2016 Elsevier Ltd. All rights reserved.

Nuclear magnetic resonance study of the conformation and dynamics of beta-casein at the oil/water interface in emulsions.

PubMed Central

ter Beek, L C; Ketelaars, M; McCain, D C; Smulders, P E; Walstra, P; Hemminga, M A

1996-01-01

A (13)C and (31)P nuclear magnetic resonance (NMR) study has been carried out on beta-casein adsorbed at the interface of a tetradecane/water emulsion. (13)C NMR spectra show signals from the carbonyl, carboxyl, aromatic, and C alpha carbons in beta-casein, well resolved from solvent resonances. Only a small fraction of all carbon atoms in beta-casein contribute to detectable signals; intensity measurements show that the observable spectrum is derived from about 30 to 40 amino acid residues.(31)P NMR spectra show signals from the five phosphoserines on the hydrophilic N-terminal part of the protein. Analysis of T(1) relaxation times of these nuclei, using the model free approach for the spectral density function and the line shape of the alpha-carbon region, indicates that a large part of the protein is in a random coil conformation with restricted motion and a relatively long internal correlation time. The NMR results show that the conformation and dynamics of the N-terminal part of beta-casein are not strongly altered at the oil/water interface, as compared to beta-casein in micelle-like aggregates in aqueous solution. PMID:9172765

Beta-spectrometer with Si-detectors for the study of 144Ce-144Pr decays

NASA Astrophysics Data System (ADS)

Alexeev, I. E.; Bakhlanov, S. V.; Bazlov, N. V.; Chmel, E. A.; Derbin, A. V.; Drachnev, I. S.; Kotina, I. M.; Muratova, V. N.; Pilipenko, N. V.; Semyonov, D. A.; Unzhakov, E. V.; Yeremin, V. K.

2018-05-01

Here we present the specifications of a newly developed beta-spectrometer, based on full absorption Si(Li) detector and thin transmission detector, allowing one to perform efficient separation beta-radiation and accompanying X-rays and gamma radiation. Our method is based on registration of coincident events from both detectors. The spectrometer can be used for precision measurements of various beta-spectra, namely for the beta-spectrum shape study of 144Pr, which is considered to be an advantageous anti-neutrino source for sterile neutrino searches.

Temperature Dependence of Positron Annihilation in beta-Cyclodextrin and beta-Cyclodextrin Complexes

NASA Astrophysics Data System (ADS)

Hu, Y.; Hsu Hadley, F. H., Jr.; Trinh, T.

1996-11-01

The effects of temperature on positron annihilation in beta-cyclodextrin and beta-cyclodextrin complexed with benzyl salicylate, benzyl acetate, ethyl salicylate, geraniol, linalool and nerol were studied. Samples were prepared by slurry, air-dried and freeze-dried methods. Lifetime spectra were measured as a function of temperature for each sample. Comparison of the annihilation rate and intensity of the longer-lived component showed that positronium formation was affected by guest molecules, preparation methods and temperature variations. Results can be used to explain beta-cyclodextrin complex formation with different guest molecules.

Time-temperature dependent variations in beta-carotene contents in carrot using different spectrophotometric techniques

NASA Astrophysics Data System (ADS)

Ullah, Rahat; Khan, Saranjam; Shah, Attaullah; Ali, Hina; Bilal, Muhammad

2018-05-01

The current study presents time dependent variations in the concentration of beta-carotene in carrot under different storage-temperature conditions using UV–VIS and Raman spectrophotometric techniques. The UV–VIS absorption spectra of beta-carotene extracted from carrot shows three distinct absorption peaks at 442, 467, and 500 nm with maximum absorption at 467 nm. These absorption peaks are very much reproducible and are assigned to β-carotene. Similarly, Raman spectra of carrot samples also confirmed the three main Raman peaks of beta-carotene at shift positions 1003, 1150, and 1515 cm‑1. An overall decrease in beta-carotene content has been observed for time-temperature conditions. These results depict a decrease of about 40% in the content of beta-carotene when carrot samples were stored in a refrigerator (4 °C) for the first 20 d, whereas a decrease of about 25% was observed when carrot samples were stored in a freezer (‑16 °C) for the same period. The objective of this study is to investigate the possible use of Raman spectroscopy and UV–VIS spectroscopy for quick and detailed analysis of changes (degradation) in beta-carotene content associated with time and temperature in storage (frozen foods) in order to promote quality foods for consumers. Future study with a greater focus on the concentration/content of beta-carotene in other fruits/vegetables is also desirable.

How to Produce a Reactor Neutron Spectrum Using a Proton Accelerator

DOE PAGES

Burns, Kimberly A.; Wootan, David W.; Gates, Robert O.; ...

2015-06-18

A method for reproducing the neutron energy spectrum present in the core of an operating nuclear reactor using an engineered target in an accelerator proton beam is proposed. The protons interact with a target to create neutrons through various (p,n) type reactions. Spectral tailoring of the emitted neutrons can be used to modify the energy of the generated neutron spectrum to represent various reactor spectra. Through the use of moderators and reflectors, the neutron spectrum can be modified to reproduce many different spectra of interest including spectra in small thermal test reactors, large pressurized water reactors, and fast reactors. Themore » particular application of this methodology is the design of an experimental approach for using an accelerator to measure the betas produced during fission to be used to reduce uncertainties in the interpretation of reactor antineutrino measurements. This approach involves using a proton accelerator to produce a neutron field representative of a power reactor, and using this neutron field to irradiate fission foils of the primary isotopes contributing to fission in the reactor, creating unstable, neutron rich fission products that subsequently beta decay and emit electron antineutrinos. A major advantage of an accelerator neutron source over a neutron beam from a thermal reactor is that the fast neutrons can be slowed down or tailored to approximate various power reactor spectra. An accelerator based neutron source that can be tailored to match various reactor neutron spectra provides an advantage for control in studying how changes in the neutron spectra affect parameters such as the resulting fission product beta spectrum.« less

Stability and structure in [alpha]- and [beta]-keggin heteropolytungstates, [Xn+W12O40](8-n)-, X = p-block cation

Treesearch

Wade A. Neiwert; Jennifer J. Cowan; Kenneth I. Hardcastle; Craig L. Hill; Ira A. Weinstock

2002-01-01

[Beta]-[SiW12O40]4- (C3v symmetry) is sufficiently higher in energy than its [alpha]-isomer analogue that effectively complete conversion to [alpha]-[SiW12O40]4- (Td) is observed. By contrast, [beta]- and [alpha]-[AlW12O40]5- ([beta]- and [alpha]-1; C3v and Td, respectively) are sufficiently close in energy that both isomers are readily seen in 27Al NMR spectra of...

Impact of Fission Neutron Energies on Reactor Antineutrino Spectra

NASA Astrophysics Data System (ADS)

Hermanek, Keith; Littlejohn, Bryce; Gustafson, Ian

2017-09-01

Recent measurements of the reactor antineutrino spectra (Double Chooz, Reno, and Daya Bay) have shown a discrepancy in the 5-7 MeV region when compared to current theoretical models (Vogel and Huber-Mueller). There are numerous theories pertaining to this antineutrino anomaly, including theories that point to new physics beyond the standard model. In the paper ``Possible Origins and Implications of the Shoulder in Reactor Neutrino Spectra'' by A. Hayes et al., explanations for this anomaly are suggested. One theory is that there are interactions from fast and epithermal incident neutrons which are significant enough to create more events in the 5-7 MeV by a noticeable amount. In our research, we used the Oklo software network created by Dan Dwyer. This generates ab initio antineutrino and beta decay spectra based on standard fission yield databases ENDF, JENDL, JEFF, and the beta decay transition database ENSDF-6. Utilizing these databases as inputs, we show with reasonable assumptions one can prove contributions of fast and epithermal neutrons is less than 3% in the 5-7 MeV region. We also discovered rare isotopes are present in beta decay chains but not well measured and have no corresponding database information, and studied its effect onto the spectrum.

The Lick AGN Monitoring Project 2011: Spectroscopic Campaign and Emission-line Light Curves

NASA Technical Reports Server (NTRS)

Barth, Aaron J.; Bennert, Vardha N.; Canalizo, Gabriela; Filippenko, Alexei V.; Gates, Elinor L.; Greene, Jenny E..; Li, Weidong; Malkan, Matthew A.; Pancoast, Anna; Sand, David J.;

Beer Law Constants and Vapor Pressures of HgI2 over HgI2(s,l)

NASA Technical Reports Server (NTRS)

Su, Ching-Hua; Zhu, Shen; Ramachandran, N.; Burger, A.

2002-01-01

Optical absorption spectra of the vapor phase over HgI2(s,l) were measured at sample temperatures between 349 and 610 K for wavelengths between 200 and 600 nm. The spectra show the samples sublimed congruently into HGI2 without any observed Hg or I2 absorption spectra. The Beer's Law constants for 15 wavelengths between 200 and 440 nm were derived. From these constants the vapor pressure of HgI2, P, was found to be a function of temperature for the liquid and the solid beta-phases: ln P(atm) = -7700/T(K) + 12.462 (liquid phase) and ln P(atm) = -10150/T(K) + 17.026 (beta-phase). The expressions match the enthalpies of vaporization and sublimation of 15.30 and 20.17 kcal/mole respectively, for the liquid and the beta-phase HgI2. The difference in the enthalpies gives an enthalpy of fusion of 4.87 kcal/mole, and the intersection of the two expressions gives a melting point of 537 K.

[Analysis of pigments from Rhodotorula glutinis by Raman spectroscopy and thin layer chromatography].

PubMed

Yuan, Yu-feng; Tao, Zhan-hua; Wang, Xue; Li, Yong-qing; Liu, Jun-xian

2012-03-01

The pigments from Rhodotorula glutinis were separated by using thin layer chromatography, and the result showed that Rhodotorula glutinis cells could synthesize at least three kinds of pigments, which were beta-carotene, torulene, and torularhodin. The Raman spectra based on the three pigments were acquired, and original spectra were preprocessed by background elimination, baseline correction, and three-point-smoothing, then the averaged spectra from different pigments were investigated, and the result indicated that Raman shift which represents C-C bond was different, and the wave number of beta-carotene demonstrated the largest deviation, finally torulene and torularhodin in Rhodotorula glutinis had more content than beta-carotene. Quantitative analysis of Raman peak height ratio revealed that peak height ratio of pigments showed little difference, which could be used as parameters for further research on living cells, providing reference content of pigments. The above results suggest that Raman spectroscopy combined with thin layer chromatography can be applied to analyze pigments from Rhodotorula glutinis, provides abundant information about pigments, and serves as an effective method to study pigments.

Enteridinines A and B from slime mold Enteridium lycoperdon.

PubMed

Rezanka, Tomás; Dvoráková, Radmila; Hanus, Lumír O; Dembitsky, Valery M

2004-02-01

Two novel deoxysugar esters, named enteridinines A and B, were isolated from the slime mold Enteridium lycoperdon. Their structures, including the absolute configurations of the hydroxyl and methyl groups, were determined by means of extensive spectroscopic data such as UV, IR, MS, 1D and 2D NMR spectra. Enteridinines A and B have unique structures containing 1,7-dioxaspiro[5.5]undecanes with an O-beta-D-mycarosyl-(1-->4)-beta-D-olivosyl and an O-beta-L-olivomycosyl-(1-->4)-beta-D-amicetosyl-(1-->4)-beta-L-digitoxosyl unit, respectively, and showed growth inhibitory activities against Gram positive bacteria.

Non-invasive in vivo determination of the carotenoids beta-carotene and lycopene concentrations in the human skin using the Raman spectroscopic method

NASA Astrophysics Data System (ADS)

Darvin, M. E.; Gersonde, I.; Meinke, M.; Sterry, W.; Lademann, J.

2005-08-01

Resonance Raman spectroscopy was used as a fast and non-invasive optical method of measuring the absolute concentrations of beta-carotene and lycopene in living human skin. Beta-carotene and lycopene have different absorption values at 488 and 514.5 nm and, consequently, the Raman lines for beta-carotene and lycopene have different scattering efficiencies at 488 and 514.5 nm excitations. These differences were used for the determination of the concentrations of beta-carotene and lycopene. Using multiline Ar+ laser excitation, clearly distinguishable carotenoid Raman spectra can be obtained which are superimposed on a large fluorescence background. The Raman signals are characterized by two prominent Stokes lines at 1160 and 1525 cm-1, which have nearly identical relative intensities. Both substances were detected simultaneously. The Raman spectra are obtained rapidly, i.e. within about 10 s, and the required laser light exposure level is well within safety standards. The disturbance of the measurements by non-homogeneous skin pigmentation was avoided by using a relatively large measuring area of 35 mm2. It was shown that beta-carotene and lycopene distribution in human skin strongly depends upon the skin region studied and drastically changed inter-individually. Skin beta-carotene and lycopene concentrations are lower in smokers than in non-smokers and higher in the vegetarian group.

A Simple Spreadsheet Program to Simulate and Analyze the Far-UV Circular Dichroism Spectra of Proteins

ERIC Educational Resources Information Center

Abriata, Luciano A.

2011-01-01

A simple algorithm was implemented in a spreadsheet program to simulate the circular dichroism spectra of proteins from their secondary structure content and to fit [alpha]-helix, [beta]-sheet, and random coil contents from experimental far-UV circular dichroism spectra. The physical basis of the method is briefly reviewed within the context of…

Relaxation spectra and dipolar correlations for flexible polymers with bulky side groups

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

Diaz-Calleja, R.; Riande, E.; Roman, J.S.

1992-08-06

This paper discusses how relaxation spectra and dipolar correlations for flexible polymers with bulky side groups (PBPA chains) suggest that intermolecular correlations are not very important in this polymer and that {alpha}, {beta}, and {gamma} absorptions exist. TSDC techniques reveal that the {gamma} peak has a smaller activation energy than the {beta}, and the coupling scheme is used to interpret the complex dielectric and mechanical {alpha} relaxations. The anomalous temperature dependence of the glass-rubber relaxation is discussed in terms of the bulkiness of the side group. 23 refs., 8 figs., 3 tabs.

Application of factor analysis of infrared spectra for quantitative determination of beta-tricalcium phosphate in calcium hydroxylapatite.

PubMed

Arsenyev, P A; Trezvov, V V; Saratovskaya, N V

1997-01-01

This work represents a method, which allows to determine phase composition of calcium hydroxylapatite basing on its infrared spectrum. The method uses factor analysis of the spectral data of calibration set of samples to determine minimal number of factors required to reproduce the spectra within experimental error. Multiple linear regression is applied to establish correlation between factor scores of calibration standards and their properties. The regression equations can be used to predict the property value of unknown sample. The regression model was built for determination of beta-tricalcium phosphate content in hydroxylapatite. Statistical estimation of quality of the model was carried out. Application of the factor analysis on spectral data allows to increase accuracy of beta-tricalcium phosphate determination and expand the range of determination towards its less concentration. Reproducibility of results is retained.

Improving the analysis of NMR spectra tracking pH-induced conformational changes: removing artefacts of the electric field on the NMR chemical shift.

PubMed

Kukić, Predrag; Farrell, Damien; Søndergaard, Chresten R; Bjarnadottir, Una; Bradley, John; Pollastri, Gianluca; Nielsen, Jens Erik

2010-03-01

pH-induced chemical shift perturbations (CSPs) can be used to study pH-dependent conformational transitions in proteins. Recently, an elegant principal component analysis (PCA) algorithm was developed and used to study the pH-dependent structural transitions in bovine beta-lactoglobulin (betaLG) by analyzing its NMR pH-titration spectra. Here, we augment this analysis method by filtering out changes in the NMR chemical shift that stem from effects that are electrostatic in nature. Specifically, we examine how many CSPs can be explained by purely electrostatic effects arising from titrational events in betaLG. The results show that around 20% of the amide nuclei CSPs in betaLG originate exclusively from "through-space" electric field effects. A PCA of NMR data where electric field artefacts have been removed gives a different picture of the pH-dependent structural transitions in betaLG. The method implemented here is well suited to be applied on a whole range of proteins, which experience at least one pH-dependent conformational change. Proteins 2010. (c) 2009 Wiley-Liss, Inc.

Calculation and measurement of 144Ce-144Pr β-spectrum

NASA Astrophysics Data System (ADS)

Atroschenko, V.; Kopeikin, V.; Litvinovich, E.; Lukyanchenko, L.; Machulin, I.; Skorokhvatov, M.; Titov, O.

2017-12-01

We calculate beta spectrum of Ce-Pr-144 taking into account several types of corrections. The result is compared with the experimental data obtained at NRC Kurchatov Institute. Using this comparison we estimate the reliability of theoretical calculations for electron and antineutrino spectra from beta decay.

Total Absorption Spectroscopy Study of ⁹²Rb Decay: A Major Contributor to Reactor Antineutrino Spectrum Shape

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

Sonzogni, A.; Zakari-Issoufou, A. -A.; Fallot, M.

2015-03-09

The accurate determination of the emitted reactor antineutrino flux is still a major challenge for actual and future neutrino experiments at reactors, especially after the evidence of a disagreement between the measured antineutrino energy spectrum by Double Chooz, Daya Bay, and Reno and calculated antineutrino spectra obtained from the conversion of the unique integral beta spectra measured at the ILL reactor. Using nuclear data to compute reactor antineutrino spectra may help understanding this bias, with the study of the underlying nuclear physics. Summation calculations allow identifying a list of nuclei that contribute importantly to the antineutrino energy spectra emitted aftermore » the fission of ²³⁹ ,²⁴¹Pu and ²³⁵ ,²³⁸U, and whose beta decay properties might deserve new measurements. Among these nuclei, ⁹²Rb exhausts by itself about 16% of of the antineutrino energy spectrum emitted by Pressurized Water Reactors in the 5 to 8 MeV range. In this Letter, we report new Total Absorption Spectroscopy (TAS) results for this important contributor. The obtained beta feeding from ⁹²Rb shows beta intensity unobserved before in the 4.5 to 5.5 MeV energy region and gives a ground state to ground state branch of 87.5 % ± 3%. These new data induce a dramatic change in recent summation calculations where a 51% GS to GS branch was considered for ⁹²Rb, increasing the summation antineutrino spectrum in the region nearby the observed bias.The new data still have an important impact on other summation calculations in which more recent data were considered« less

Determining Beta Sheet Crystallinity in Fibrous Proteins by Thermal Analysis and Infrared Spectroscopy

NASA Astrophysics Data System (ADS)

Hu, Xiao; Kaplan, David; Cebe, Peggy

2007-03-01

We report a study of self-assembled beta pleated sheets in Bombyx mori silk fibroin films using thermal analysis and infrared spectroscopy. Crystallization of beta pleated sheets was effected either by heating the films above the glass transition temperature (Tg) and holding isothermally, or by exposure to methanol. The fractions of secondary structural components including random coils, alpha helices, beta pleated sheets, turns, and side chains, were evaluated using Fourier self-deconvolution (FSD) of the infrared absorbance spectra. As crystalline beta sheets form, the heat capacity increment from the TMDSC trace at Tg is systematically decreased and is linearly well correlated with beta sheet content determined from FSD. This analysis of beta sheet content can serve as an alternative to X-ray methods and may have wide applicability to other crystalline beta sheet forming proteins.

Structural and optical characterization of Eu3+ doped beta-Ga2O3 nanoparticles using a liquid-phase precursor method.

PubMed

Kim, Moung-O; Kang, Bongkyun; Yoon, Daeho

2013-08-01

Eu3+ doped beta-Ga2O3 and non-doped beta-Ga2O3 nanoparticles were synthesized at 800 degrees C using a liquid-phase precursor (LPP) method, with different annealing times and Eu3+ ion concentrations. Eu3+ doped beta-Ga2O3 nanoparticles showed broad XRD peaks, revealing a second phase compared with the non-doped beta-Ga2O3 nanoparticles. The cathode luminescence (CL) spectra of beta-Ga2O3 and Eu3+ doped beta-Ga2O3 nanoparticles showed a broad band emission (300-500 nm) of imperfection and two component emissions. The luminescence quenching properties of Eu3+ dopant ion concentration appeared gradually beyond 5 mol% in our investigation.

A model of the complex between human {beta}-microseminoprotein and CRISP-3 based on NMR data

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

Ghasriani, Houman; Fernlund, Per; Udby, Lene

2009-01-09

{beta}-Microseminoprotein (MSP), a 10 kDa seminal plasma protein, forms a tight complex with cysteine-rich secretory protein 3 (CRISP-3) from granulocytes. The 3D structure of human MSP has been determined but there is as yet no 3D structure for CRISP-3. We have now studied the complex between human MSP and CRISP-3 with multidimensional NMR. {sup 15}N-HSQC spectra show substantial differences between free and complexed hMSP. Using several 3D-NMR spectra of triply labeled hMSP in complex with a recombinant N-terminal domain of CRISP-3, most of the backbone of hMSP could be assigned. The data show that only one side of hMSP, comprisingmore » {beta}-strands 1, 4, 5, and 8 are affected by the complex formation, indicating that {beta}-strands 1 and 8 form the main binding surface. Based on this we present a tentative structure for the hMSP-CRISP-3 complex using the known crystal structure of triflin as a model of CRISP-3.« less

Identification of two novel proanthocyanidins in green Tea.

PubMed

Lakenbrink, C; Engelhardt, U H; Wray, V

1999-11-01

The isolation and structural elucidation of epiafzelechingallate-(4beta-->8)-epicatechingallate (EAG-4beta-->8-ECG) and epiafzelechingallate-(4beta-->6)-epicatechingallate (EAG-4beta-->6-ECG) in green tea samples are described. The combination of various 2D NMR techniques allowed a full structural determination of the underivatized proanthocyanidins even though broadening of the signals did not allow observation of some key correlations that characterize the location of the interflavonoid linkage. The differences in the NMR spectra of the new compounds allowed formulation of criteria for the discrimination between the 4-->6 and 4-->8 isomers in this type of compound.

Gamow-Teller Strength Distributions in {sup 48}Sc by the {sup 48}Ca(p,n) and {sup 48}Ti(n,p) Reactions and Two-Neutrino Double-beta Decay Nuclear Matrix Elements

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

Yako, K.; Sasano, M.; Miki, K.

2009-07-03

The double-differential cross sections for the {sup 48}Ca(p,n) and {sup 48}Ti(n,p) reactions were measured at 300 MeV. A multipole decomposition technique was applied to the spectra to extract the Gamow-Teller (GT) components. The integrated GT strengths up to an excitation energy of 30 MeV in {sup 48}Sc are 15.3+-2.2 and 2.8+-0.3 in the (p,n) and (n,p) spectra, respectively. In the (n,p) spectra additional GT strengths were found above 8 MeV where shell models within the fp shell-model space predict almost no GT strengths, suggesting that the present shell-model description of the nuclear matrix element of the two-neutrino double-beta decay ismore » incomplete.« less

Two-photon absorption properties of cationic 1,4-bis(styryl)benzene derivative and its inclusion complexes with cyclodextrins.

PubMed

Nag, Okhil Kumar; Nayak, Rati Ranjan; Lim, Chang Su; Kim, In Hong; Kyhm, Kwangseuk; Cho, Bong Rae; Woo, Han Young

2010-07-29

Two-photon absorption properties of 1,4-bis{4'-[N,N-bis(6''-trimethylammoniumhexyl)amino]styryl}benzene tetrabromide (C1) and its inclusion complexes (ICs) with cyclodextrins (CDs) have been studied. Upon complexation with CDs, the absorption spectra of C1 showed a slight red shift, whereas the emission spectra showed a blue shift with concomitant increase in the fluorescence quantum efficiency. A Stern-Volmer study using K(3)Fe(CN)(6) as a quencher revealed significant reduction in the photoinduced charge transfer quenching, in accord with the IC formation. Comparison of the spectroscopic results reveals that C1 forms increasingly more stable ICs in the order C1/beta-CD < C1/gamma-CD < C1/(3gamma:beta)-CD (gamma-CD/beta-CD 3:1, mole ratio). Moreover, the two-photon action cross section of C1 increased from 200 GM for C1 to 400 GM for C1/beta-CD, 460 GM for C1/gamma-CD, and 650 GM for C1/(3gamma:beta)-CD, respectively. Furthermore, the two-photon microscopy images of HeLa cells stained with C1 emitted strong two-photon excited fluorescence in the plasma membrane. These results provide a useful guideline for the development of efficient two-photon materials for bioimaging applications.

Beta Energy Determination with an Anthracene Crystal and with the Feather Method; BETA ENERGIEBEPALING MET EEN ANTHRACENE KRISTAL EN MET DE FEATHER METHODE

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

Depuydt, H.

1958-02-25

The beta spectra of Au/sup 198/, In/sup 114/ P/sup 32/, Y/sup 90/, and Cs/sup 137/ were determined with a scintillation counter (anthracene crystal) and an amplitude selector. The conversion electron peak of Cs/sup 137/ was used for the determination of the pulse-height energy calibration line. The maximum beta energy was determined by means of a Fermi-Curie analysis of the spectra, and the results were 0.928 plus or minus 0.05 Mev for Au/sup 198/, 2.10 plus or minus 0.02 Mev for In/sup 114/, 1/703 plus or minus 0.018 Mev for P/sup 32/, 2.42 plus or minus 0.02 Mev for Y/sup 90/,more » and 0.522 plus or minus 0.010 and 1.28 plus or minus 0.31 Mev for Cs/sup 137/. The maximum beta energy determination was made by means of the absorption curve to which the Feather analysis was applied (the absorption curve of P/sup 32/ serving as a standard). The results were 0.947 Mev for Au/sup 198/ and 2.02 Mev for In/sup 114/ . (tr-auth)« less

Velocity fields and spectrum peculiarities in Beta Cephei stars

NASA Technical Reports Server (NTRS)

Lesh, J. R.

1980-01-01

The acquisition of short wavelength spectra of Beta Cephei variable stars from the International Ultraviolet Explorer is reported. A total of 122 images of 10 variable stars and 3 comparison stars were obtained. All of the images were observed in the high dispersion mode through a small aperture. The development of image processing methods is also briefly discussed.

Effect of solvent on absorption spectra of all-trans-{beta}-carotene under high pressure

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

Liu, W. L.; Zheng, Z. R.; Liu, Z. G.

The absorption spectra of all-trans-{beta}-carotene in n-hexane and carbon disulfide (CS{sub 2}) solutions are measured under high pressure at ambient temperature. The common redshift and broadening in the spectra are observed. Simulation of the absorption spectra was performed by using the time-domain formula of the stochastic model. The pressure dependence of the 0-0 band wavenumber is in agreement with the Bayliss theory at pressure higher than 0.2 GPa. The deviation of the linearity at lower pressure is ascribed to the reorientation of the solvent molecules. Both the redshift and broadening are stronger in CS{sub 2} than that in n-hexane becausemore » of the more sensitive pressure dependence of dispersive interactions in CS{sub 2} solution. The effect of pressure on the transition moment is explained with the aid of a simple model involving the relative dimension, location, and orientation of the solute and solvent molecules. The implication of these results for light-harvesting functions of carotenoids in photosynthesis is also discussed.« less

Study of the peak shape in alpha spectra measured by liquid scintillation

NASA Astrophysics Data System (ADS)

Vera Tomé, F.; Gómez Escobar, V.; Martín Sánchez, A.

2002-06-01

Liquid-scintillation counting allows the measurement of alpha and beta activities jointly or only of the alpha-emitting nuclides in a sample. Although the resolution of the alpha spectra is poorer than that attained with semiconductor detectors, it is still an attractive alternative. We describe here attempts to fit a peak shape to experimental liquid-scintillation alpha spectra and discuss the parameters affecting this shape, such as the PSA (pulse-shape analyser) level, vial type, shaking the sample, etc. Spectral analysis has been applied for complex alpha spectra.

A DCM study of spectral asymmetries in feedforward and feedback connections between visual areas V1 and V4 in the monkey.

PubMed

Bastos, A M; Litvak, V; Moran, R; Bosman, C A; Fries, P; Friston, K J

2015-03-01

This paper reports a dynamic causal modeling study of electrocorticographic (ECoG) data that addresses functional asymmetries between forward and backward connections in the visual cortical hierarchy. Specifically, we ask whether forward connections employ gamma-band frequencies, while backward connections preferentially use lower (beta-band) frequencies. We addressed this question by modeling empirical cross spectra using a neural mass model equipped with superficial and deep pyramidal cell populations-that model the source of forward and backward connections, respectively. This enabled us to reconstruct the transfer functions and associated spectra of specific subpopulations within cortical sources. We first established that Bayesian model comparison was able to discriminate between forward and backward connections, defined in terms of their cells of origin. We then confirmed that model selection was able to identify extrastriate (V4) sources as being hierarchically higher than early visual (V1) sources. Finally, an examination of the auto spectra and transfer functions associated with superficial and deep pyramidal cells confirmed that forward connections employed predominantly higher (gamma) frequencies, while backward connections were mediated by lower (alpha/beta) frequencies. We discuss these findings in relation to current views about alpha, beta, and gamma oscillations and predictive coding in the brain. Copyright © 2015. Published by Elsevier Inc.

[Rapid determination of illicit beta2-agonist additives in health foods and traditional Chinese patent medicines with DCBI-MS/MS method].

PubMed

Hou, Yu-Lan; Wu, Shuang; Wang, Hua; Zhao, Yong; Liao, Peng; Tian, Qing-Qing; Sun, Wen-Jian; Chen, Bo

2013-01-01

A novel rapid method for detection of the illicit beta2-agonist additives in health foods and traditional Chinese patent medicines was developed with the desorption corona beam ionization mass spectrometry (DCBI-MS) technique. The DCBI conditions including temperature and sample volume were optimized according to the resulting mass spectra intensity. Matrix effect on 9 beta2-agonists additives was not significant in the proposed rapid determination procedure. All of the 9 target molecules were detected within 1 min. Quantification was achieved based on the typical fragment ion in MS2 spectra of each analyte. The method showed good linear coefficients in the range of 1-100 mg x L(-1) for all analytes. The relative deviation values were between 14.29% and 25.13%. Ten claimed antitussive and antiasthmatic health foods and traditional Chinese patent medicines from local pharmacies were analyzed. All of them were negative with the proposed DCBI-MS method. Without tedious sample pretreatments, the developed DCBI-MS is simple, rapid and sensitive for rapid qualification and semi-quantification of the illicit beta2-agonist additives in health foods and traditional Chinese patent medicines.

Radiological Assessment for the Removal of Legacy BPA Power Lines that Cross the Hanford Site

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

Millsap, William J.; Brush, Daniel J.

This paper discusses some radiological field monitoring and assessment methods used to assess the components of an old electrical power transmission line that ran across the Hanford Site between the production reactors area (100 Area) and the chemical processing area (200 Area). This task was complicated by the presence of radon daughters -- both beta and alpha emitters -- residing on the surfaces, particularly on the surfaces of weathered metals and metals that had been electrically-charged. In many cases, these activities were high compared to the DOE Surface Contamination Guidelines, which were used as guides for the assessment. These methodsmore » included the use of the Toulmin model of argument, represented using Toulmin diagrams, to represent the combined force of several strands of evidences, rather than a single measurement of activity, to demonstrate beyond a reasonable doubt that no or very little Hanford activity was present and mixed with the natural activity. A number of forms of evidence were used: the overall chance of Hanford contamination; measurements of removable activity, beta and alpha; 1-minute scaler counts of total surface activity, beta and alpha, using "background makers"; the beta activity to alpha activity ratios; measured contamination on nearby components; NaI gamma spectral measurements to compare uncontaminated and potentially-contaminated spectra, as well as measurements for the sentinel radionuclides, Am- 241 and Cs-137 on conducting wire; comparative statistical analyses; and in-situ measurements of alpha spectra on conducting wire showing that the alpha activity was natural Po-210, as well as to compare uncontaminated and potentially-contaminated spectra.« less

Observations of H-beta and He II lambda 4686 lines in the spectra of flares of UV Cet-type stars

NASA Astrophysics Data System (ADS)

Chugainov, P. F.; Petrov, P. P.; Scherbakov, A. G.

The main results of 45.4 hours of continuous spectroscopic and photoelectric B-band observations of AD Leo, DT Virgo, and YZ CMi are discussed. In two AD Leo flares and two YZ CMi flares, an increase of the central intensity of H-beta was observed 10-20 min before the maximum B-band brightness. The spectra of one AD Leo flare and one YZ CMi flare definitely indicate the formation of broad wings of H-beta occurring mainly during flare maximum. These flares surpass the other four in total optical energy. The Stark effect seems to be the most appropriate explanation for the origin of the wings. The upper limit of the equivalent widths of the He II wavelength 4686 line was higher than that in the quiet state. The equivalent width values cannot be explained by the cascade recombination mechanism if the ratio of optical and X-ray luminosities is nearly the same for all flares of UV Cet-type stars.

Exocomet Signatures Around the A-shell Star Phi Leonis

NASA Technical Reports Server (NTRS)

Eiroa, C.; Rebollido, I.; Montesinos, B.; Villaver, E.; Absil, O.; Henning, Th.; Bayo, A.; Canovas, H.; Carmona, A.; Chen, Ch.;

Dual fluorescence of N-phenylanthranilic acid: Effect of solvents, pH and beta-cyclodextrin.

PubMed

Rajendiran, N; Balasubramanian, T

2007-11-01

Spectral characteristics of N-phenylanthranilic acid (NPAA) have been studied in different solvents, pH and beta-cyclodextrin (beta-CD) and compared with anthranilic acid (2-aminobenzoic acid, 2ABA). In all solvents a dual fluorescence is observed in NPAA, whereas 2ABA gives single emission. Combining the results observed in the absorption, fluorescence emission and fluorescence excitation spectra, it is found that strong intramolecular hydrogen bonding (IHB) interactions present in NPAA molecule. The inclusion complex of NPAA with beta-CD is analysed by UV-vis, fluorimetry, FT-IR, (1)H NMR, scanning electron microscope and AM 1 method. The above spectral studies show that NPAA forms a 1:1 inclusion complex with beta-CD and COOH group present in the beta-CD cavity. A mechanism is proposed to explain the inclusion process.

Special features of the inverse-beta-decay reaction proceeding on a proton in a reactor-antineutrino flux

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

Kopeikin, V. I., E-mail: kopeikin46@yandex.ru; Skorokhvatov, M. D., E-mail: skorokhvatov-md@nrcki.ru

2017-03-15

The evolution of the reactor-antineutrino spectrum and the evolution of the spectrum of positrons from the inverse-beta-decay reaction in the course of reactor operation and after reactor shutdown are considered. The present-day status in determining the initial reactor-antineutrino spectrum on the basis of spectra of beta particles from mixtures of products originating from uranium and plutonium fission is described. A local rise of the experimental spectrum of reactor antineutrinos with respect to the expected spectrum is studied.

Sequence-specific sup 1 H NMR resonance assignments of Bacillus subtilis HPr: Use of spectra obtained from mutants to resolve spectral overlap

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

Wittekind, M.; Klevit, R.E.; Reizer, J.

1990-08-07

On the basis of an analysis of two-dimensional {sup 1}H NMR spectra, the complete sequence-specific {sup 1}H NMR assignments are presented for the phosphocarrier protein HPr from the Gram-positive bacterium Bacillus subtilis. During the assignment procedure, extensive use was made of spectra obtained from point mutants of HPr in order to resolve spectral overlap and to provide verification of assignments. Regions of regular secondary structure were identified by characteristic patterns of sequential backbone proton NOEs and slowly exchanging amide protons. B subtilis HPr contains four {beta}-strands that form a single antiparallel {beta}-sheet and two well-defined {alpha}-helices. There are two stretchesmore » of extended backbone structure, one of which contains the active site His{sub 15}. The overall fold of the protein is very similar to that of Escherichia coli HPr determined by NMR studies.« less

Analysis of time-resolved argon line spectra from OMEGA direct-drive implosions

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

Florido, R.; Nagayama, T.; Mancini, R. C.

2008-10-15

We discuss the observation and data analysis of argon K-shell line spectra from argon-doped deuterium-filled OMEGA direct-drive implosion cores based on data recorded with two streaked crystal spectrometers. The targets were 870 {mu}m in diameter, 27 {mu}m wall thickness plastic shells filled with 20 atm of deuterium gas, and a tracer amount of argon for diagnostic purposes. The argon K-shell line spectrum is primarily emitted at the collapse of the implosion and its analysis provides a spectroscopic diagnostic of the core implosion conditions. The observed spectra includes the He{alpha}, Ly{alpha}, He{beta}, He{gamma}, Ly{beta}, and Ly{gamma} line emissions and their associatedmore » He- and Li-like satellites thus covering a broad photon energy range from 3100 to 4200 eV with a spectral resolution power of approximately 500. The data analysis relies on detailed atomic and spectral models that take into account nonequilibrium collisional-radiative atomic kinetics, Stark-broadened line shapes, and radiation transport calculations.« less

A search for ultraviolet circumstellar gas absorption features in alpha Piscis Austrinus (Fomalhaut), a possible Beta Pictoris-like system

NASA Technical Reports Server (NTRS)

Cheng, K.-P.; Bruhweiler, Fred C.; Kondo, Yoji

1994-01-01

Archival high-dispersion International Ultraviolet Explorer (IUE) spectra have been used to search for circumstellar gas absorption features in alpha PsA (A3 V), a nearby (6.7 pc) proto-planetary system candidate. Recent sub-millimeter mapping observations around the region of alpha PsA indicate a spatially resolved dust disk like the one seen around Beta Pic. To determine how closely this putative disk resembles that of Beta Pic, we have searched for signatures of circumstellar gaseous absorption in all the available IUE high-dispersion data of alpha PsA. Examination of co-added IUE spectra shows weak circumstellar absorptions from excited levels in the resonance multiplet of Fe II near 2600 A. We also conclude that the sharp C I feature near 1657 A, previously identified as interstellar absorption toward alpha PsA, likely has a circumstellar origin. However, because the weakness of these absorption features, we will consider the presence of circumstellar gas as tentative and should be verified by using the Goddard High-Resolution Spectrograph aboard the Hubble Space Telescope. No corresponding circumstellar absorption is detected in higher ionization Fe III and Al III. Since the collisionally ionized nonphotospheric Al III resonance absorption seen in Beta Pic is likely formed close to the stellar surface, its absence in the UV spectra of alpha PsA could imply that, in contrast with Beta Pic, there is no active gaseous disk infall onto the central star. In the alpha PsA gaseous disk, if we assume a solar abundance for iron and all the iron is in the form of Fe II, plus a disk temperature of 5000 K, the Fe II UV1 absorption at 2611.8743 A infers a total hydrogen column density along the line of sight through the circumstellar disk of N(H) approximately equals 3.8 x 10(exp 17)/cm.

Optical and UV spectroscopy of the peculiar RS CVn system, RT Lacertae

NASA Technical Reports Server (NTRS)

Huenemoerder, D. P.; Barden, S. C.

1985-01-01

Spectra in the H-alpha and H-beta regions of the peculiar double-lined RS CVn binary, RT Lacertae, were obtained in the fall of 1984. Limited International Ultraviolet Explorer (IUE) long wavelength low and high resolution spectra were obtained concurrently. The ground based spectra have shown an asymmetry with orbital phase in the H-alpha profile. The H-beta profiles were consistent with the same effect. One hemisphere showed excess emission and the other excess absorption, with a broad Gaussian emission component superposed upon the excess H-alpha line. An improved radial velocity curve, giving a better determined mass ratio and geometry was derived. This combined with the radii implied by the rotational broadening of the spectra, showed one component to be 80 to 90% filling the equilibrium Roche surface. The two-faced nature is, therfore, very likely due to mass transfer from the contact component impacting upon its companion. Low resolution ultraviolet data showed that the supposed cooler component is bluer than its companion. High resolution ultraviolet data taken during secondary eclipse showed Mg II emission strength which decreased more slowly than the area visible. The phase behavior of the low resolution data support the former situation, indicating traditional chromospheric activity.

Production of beta-gamma coincidence spectra of individual radioxenon isotopes for improved analysis of nuclear explosion monitoring data

NASA Astrophysics Data System (ADS)

Haas, Derek Anderson

Radioactive xenon gas is a fission product released in the detonation of nuclear devices that can be detected in atmospheric samples far from the detonation site. In order to improve the capabilities of radioxenon detection systems, this work produces beta-gamma coincidence spectra of individual isotopes of radioxenon. Previous methods of radioxenon production consisted of the removal of mixed isotope samples of radioxenon gas released from fission of contained fissile materials such as 235U. In order to produce individual samples of the gas, isotopically enriched stable xenon gas is irradiated with neutrons. The detection of the individual isotopes is also modeled using Monte Carlo simulations to produce spectra. The experiment shows that samples of 131mXe, 133 Xe, and 135Xe with a purity greater than 99% can be produced, and that a sample of 133mXe can be produced with a relatively low amount of 133Xe background. These spectra are compared to models and used as essential library data for the Spectral Deconvolution Analysis Tool (SDAT) to analyze atmospheric samples of radioxenon for evidence of nuclear events.

Optical and UV spectroscopy of the peculiar RS CVn system, RT Lacertae

NASA Astrophysics Data System (ADS)

Huenemoerder, D. P.; Barden, S. C.

1985-11-01

Spectra in the H-alpha and H-beta regions of the peculiar double-lined RS CVn binary, RT Lacertae, were obtained in the fall of 1984. Limited International Ultraviolet Explorer (IUE) long wavelength low and high resolution spectra were obtained concurrently. The ground based spectra have shown an asymmetry with orbital phase in the H-alpha profile. The H-beta profiles were consistent with the same effect. One hemisphere showed excess emission and the other excess absorption, with a broad Gaussian emission component superposed upon the excess H-alpha line. An improved radial velocity curve, giving a better determined mass ratio and geometry was derived. This combined with the radii implied by the rotational broadening of the spectra, showed one component to be 80 to 90% filling the equilibrium Roche surface. The two-faced nature is, therfore, very likely due to mass transfer from the contact component impacting upon its companion. Low resolution ultraviolet data showed that the supposed cooler component is bluer than its companion. High resolution ultraviolet data taken during secondary eclipse showed Mg II emission strength which decreased more slowly than the area visible. The phase behavior of the low resolution data support the former situation, indicating traditional chromospheric activity.

Mixture quantification using PLS in plastic scintillation measurements.

PubMed

Bagán, H; Tarancón, A; Rauret, G; García, J F

2011-06-01

This article reports the capability of plastic scintillation (PS) combined with multivariate calibration (Partial least squares; PLS) to detect and quantify alpha and beta emitters in mixtures. While several attempts have been made with this purpose in mind using liquid scintillation (LS), no attempt was done using PS that has the great advantage of not producing mixed waste after the measurements are performed. Following this objective, ternary mixtures of alpha and beta emitters ((241)Am, (137)Cs and (90)Sr/(90)Y) have been quantified. Procedure optimisation has evaluated the use of the net spectra or the sample spectra, the inclusion of different spectra obtained at different values of the Pulse Shape Analysis parameter and the application of the PLS1 or PLS2 algorithms. The conclusions show that the use of PS+PLS2 applied to the sample spectra, without the use of any pulse shape discrimination, allows quantification of the activities with relative errors less than 10% in most of the cases. This procedure not only allows quantification of mixtures but also reduces measurement time (no blanks are required) and the application of this procedure does not require detectors that include the pulse shape analysis parameter. Copyright © 2011 Elsevier Ltd. All rights reserved.

Preparation and physical characterization of pure beta-carotene.

PubMed

Laughlin, Robert G; Bunke, Gregory M; Eads, Charles D; Laidig, William D; Shelley, John C

2002-05-01

Pure all-trans beta-carotene has been prepared on the 10's of grams scale by isothermal Fractional Dissolution (FD) of commercial laboratory samples in tetrahydrofuran (THF). beta-Carotene purified in this way is black, with a faint brownish tinge. The electronic spectra of black samples extend into the near infrared, with end-absorption past 750 nm. Black samples react directly with dioxygen under mild conditions to yield the familiar orange or red powders. Pure beta-carotene rigorously obeys Beer's Law in octane over the entire UV-Vis spectral range, while commercial laboratory samples and recrystallized samples do not. NMR self-diffusion coefficient data demonstrate that beta-carotene exists as simple molecular solutions in octane and toluene. The anomalously high crystallinity of beta-carotene can be attributed (from analysis using molecular mechanics) to the facts that: (1) the number of theoretically possible conformers of beta-carotene is extremely small, and (2) only a small fraction of these (ca. 12%, or 127) may actually exist in fluid phases.

Structure of new carotenoids with the 6-oxo-kappa end group from the fruits of paprika, Capsicum annuum.

PubMed

Maoka, Takashi; Akimoto, Naoshige; Fujiwara, Yasuhiro; Hashimoto, Keiji

2004-01-01

New carotenoids 1 and 2 were isolated as minor components from the ripe fruits of paprika (Capsicum annuum). The structures of 1 and 2 were determined to be (3R,5'R)-3-hydroxy-beta,kappa-caroten-6'-one and (5'R)-3,4-didehydro-beta,kappa-caroten-6'-one, respectively, from UV-vis, NMR, CD, HRFABMS, and FABMS/MS spectra.

Measurements of 2νββ decay-matrix elements for mass A=64,76 and A=96 through charge-exchange reactions

NASA Astrophysics Data System (ADS)

Grewe, E.-W.; Frekers, D.

2006-07-01

We have used the (d,He2) charge-exchange reaction to obtain GT +-strength distributions in the nuclei 64Cu, 76As and 96Nb. These nuclei are the intermediate nuclei in the second-order perturbative description of the 64Zn double-beta plus ( β+β+) and the 76Ge and 96Zr double-beta minus ( β-β-) decays. By means of charge-exchange reactions on parent and daughter nucleus the double-beta decay matrix element can be deduced. In this contribution the measured excitation energy spectra are presented.

Atmospheric emission of 137Cs82 from Beloyarsk nuclear power plant

NASA Astrophysics Data System (ADS)

Kolotkov, G. A.

2018-01-01

Citing Beloyarsk nuclear power plant (Russia) as an example, the problem of remote detection of radioactivity in the atmospheric pollution is examined. The comparative analysis of injected radionuclides into the atmosphere from the nuclear power plant with advanced fast neutron reactor is carried out. The main radionuclides throw out into the atmosphere from the nuclear power plant are beta-radionuclides. The secondary and tertiary spectra of beta-electrons decay for artificial radionuclide 137Cs82 is calculated, using Spencer-Fano’s equation. The averaged parameters of initial beta - electrons generated by 137Cs82 decay in the atmosphere is calculated.

Conformational study of 13C-enriched fibroin in the solid state, using the cross polarization nuclear magnetic resonance method.

PubMed

Fujiwara, T; Kobayashi, Y; Kyogoku, Y; Kataoka, K

1986-01-05

Silk fibroin with the alanyl carboxyl carbon enriched with 13C was obtained by giving a diet containing 13C-enriched alanine to the larvae of Bombyx mori and Antheraea pernyi at the fifth instar. Sericin-free fibroin fibers were prepared from cocoons, and gut was made from the liquid silk in the gland. The final 13C content was about 13%. Cross polarization/magic angle sample spinning spectra at 25 MHz and 75 MHz were measured for each sample at different orientations. Spectra were simulated using the principal values and orientations of the shielding tensor in the alanine crystal. The results indicate that the beta-structure of the fibroin may be a little more flattened than the typical pleated sheet beta-structure.

Total absorption spectroscopy of fission fragments relevant for reactor antineutrino spectra

DOE PAGES

Fallot, M.; Porta, A.; Meur, L. Le; ...

2017-09-13

Here, the accurate determination of reactor antineutrino spectra remains a very active research topic for which new methods of study have emerged in recent years. Indeed, following the long-recognized reactor anomaly (measured antineutrino deficit in short baseline reactor experiments when compared with spectral predictions), the three international reactor neutrino experiments Double Chooz, Daya Bay and Reno have recently demonstrated the existence of spectral distortions in their measurements with respect to the same predictions. These spectral predictions were obtained through the conversion of integral beta-energy spectra obtained at the ILL research reactor. Several studies have shown that the underlying nuclear physicsmore » required for the conversion of these spectra into antineutrino spectra is not totally understood. An alternative to such converted spectra is a complementary approach that consists of determining the antineutrino spectrum by means of the measurement and processing of nuclear data. The beta properties of some key fission products suffer from the pandemonium effect which can be circumvented by the use of the Total Absorption Gamma-ray Spectroscopy technique (TAGS). The two main contributors to the Pressurized Water Reactor antineutrino spectrum in the region where the spectral distortion has been observed are 92Rb and 142Cs, which have been measured at the radioactive beam facility of the University of Jyvaskyla in two TAGS experiments. We present the results of the analysis of the TAGS measurements of the β-decay properties of 92Rb along with preliminary results on 142Cs and report on the measurements already performed.« less

Total absorption spectroscopy of fission fragments relevant for reactor antineutrino spectra

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

Fallot, M.; Porta, A.; Meur, L. Le

Here, the accurate determination of reactor antineutrino spectra remains a very active research topic for which new methods of study have emerged in recent years. Indeed, following the long-recognized reactor anomaly (measured antineutrino deficit in short baseline reactor experiments when compared with spectral predictions), the three international reactor neutrino experiments Double Chooz, Daya Bay and Reno have recently demonstrated the existence of spectral distortions in their measurements with respect to the same predictions. These spectral predictions were obtained through the conversion of integral beta-energy spectra obtained at the ILL research reactor. Several studies have shown that the underlying nuclear physicsmore » required for the conversion of these spectra into antineutrino spectra is not totally understood. An alternative to such converted spectra is a complementary approach that consists of determining the antineutrino spectrum by means of the measurement and processing of nuclear data. The beta properties of some key fission products suffer from the pandemonium effect which can be circumvented by the use of the Total Absorption Gamma-ray Spectroscopy technique (TAGS). The two main contributors to the Pressurized Water Reactor antineutrino spectrum in the region where the spectral distortion has been observed are 92Rb and 142Cs, which have been measured at the radioactive beam facility of the University of Jyvaskyla in two TAGS experiments. We present the results of the analysis of the TAGS measurements of the β-decay properties of 92Rb along with preliminary results on 142Cs and report on the measurements already performed.« less

What can we learn on supernova neutrino spectra with water Cherenkov detectors?

NASA Astrophysics Data System (ADS)

Gallo Rosso, Andrea; Vissani, Francesco; Volpe, Maria Cristina

2018-04-01

We investigate the precision with which the supernova neutrino spectra can be reconstructed in water Cherenkov detectors, in particular the large scale Hyper-Kamiokande and Super-Kamiokande. To this aim, we consider quasi-thermal neutrino spectra modified by the Mikheev-Smirnov-Wolfenstein effect for the case of normal ordering. We perform three 9 degrees of freedom likelihood analyses including first inverse-beta decay only, then the combination of inverse beta decay and elastic scattering on electrons and finally a third analysis that also includes neutral scattering neutrino-oxygen events. A tenth parameter is added in the analyses to account for the theoretical uncertainty on the neutral current neutrino-oxygen cross section. By assuming a 100% efficiency in Hyper-Kamiokande, we show that one can reconstruct the electron antineutrino average energy and pinching parameter with an accuracy of ~2% and ~7% percent respectively, while the antineutrino integrated luminosity can be pinned down at ~3% percent level. As for the muon and tau neutrinos, the average energy and the integrated luminosity can be measured with ~7% precision. These results represent a significant improvement with respect Super-Kamiokande, particularly for the pinching parameter defining the electron antineutrino spectra. As for electron neutrinos, the determination of the emission parameters requires the addition of supplementary detection channels.

PSA discriminator influence on (222)Rn efficiency detection in waters by liquid scintillation counting.

PubMed

Stojković, Ivana; Todorović, Nataša; Nikolov, Jovana; Tenjović, Branislava

2016-06-01

A procedure for the (222)Rn determination in aqueous samples using liquid scintillation counting (LSC) was evaluated and optimized. Measurements were performed by ultra-low background spectrometer Quantulus 1220™ equipped with PSA (Pulse Shape Analysis) circuit which discriminates alpha/beta spectra. Since calibration procedure is carried out with (226)Ra standard, which has both alpha and beta progenies, it is clear that PSA discriminator has vital importance in order to provide precise spectra separation. Improvement of calibration procedure was done through investigation of PSA discriminator level and, consequentially, the activity of (226)Ra calibration standard influence on (222)Rn efficiency detection. Quench effects on generated spectra i.e. determination of radon efficiency detection were also investigated with quench calibration curve obtained. Radon determination in waters based on modified procedure according to the activity of (226)Ra standard used, dependent on PSA setup, was evaluated with prepared (226)Ra solution samples and drinking water samples with assessment of measurement uncertainty variation included. Copyright © 2016 Elsevier Ltd. All rights reserved.

Excitation Mechanism of O I Lines in Herbig Ae/Be Stars

NASA Astrophysics Data System (ADS)

Mathew, Blesson; Manoj, P.; Narang, Mayank; Banerjee, D. P. K.; Nayak, Pratheeksha; Muneer, S.; Vig, S.; Pramod Kumar, S.; Paul, K. T.; Maheswar, G.

2018-04-01

We have investigated the role of a few prominent excitation mechanisms viz. collisional excitation, recombination, continuum fluorescence, and Lyman beta fluorescence on the O I line spectra in Herbig Ae/Be stars. The aim is to understand which of them is the central mechanism that explains the observed O I line strengths. The study is based on an analysis of the observed optical spectra of 62 Herbig Ae/Be stars and near-infrared spectra of 17 Herbig Ae/Be stars. The strong correlation observed between the line fluxes of O I λ8446 and O I λ11287, as well as a high positive correlation between the line strengths of O I λ8446 and Hα suggest that Lyman beta fluorescence is the dominant excitation mechanism for the formation of O I emission lines in Herbig Ae/Be stars. Furthermore, from an analysis of the emission line fluxes of O I λλ7774, 8446, and comparing the line ratios with those predicted by theoretical models, we assessed the contribution of collisional excitation in the formation of O I emission lines.

Binding of TEM-1 beta-lactamase to beta-lactam antibiotics by frontal affinity chromatography.

PubMed

Chen, Xiu; Li, Yuhua; Zhang, Yan; Yang, Jianting; Bian, Liujiao

2017-04-15

TEM-1 beta-lactamases can accurately catalyze the hydrolysis of the beta-lactam rings in beta-lactam antibiotics, which make beta-lactam antibiotics lose its activity, and the prerequisite for the hydrolysis procedure in the binding interaction of TEM-1 beta-lactamases with beta-lactam antibiotics is the beta-lactam rings in beta-lactam antibiotics. Therefore, the binding of TEM-1 beta-lactamase to three beta-lactam antibiotics including penicillin G, cefalexin as well as cefoxitin was explored here by frontal affinity chromatography in combination with fluorescence spectra, adsorption and thermodynamic data in the temperature range of 278-288K under simulated physiological conditions. The results showed that all the binding of TEM-1 beta-lactamase to the three antibiotics were spontaneously exothermic processes with the binding constants of 8.718×10 3 , 6.624×10 3 and 2.244×10 3 (mol/L), respectively at 288K. All the TEM-1 beta-lactamases were immobilized on the surface of the stationary phase in the mode of monolayer and there existed only one type of binding sites on them. Each TEM-1 beta-lactamase bound with only one beta-lactam antibiotic and hydrogen bond interaction and Van der Waals force were the main forces between them. This work provided an insight into the binding interactions between TEM-1 beta-lactamases and beta-lactam antibiotics, which may be beneficial for the designing and developing of new substrates resistant to TEM-1 beta-lactamases. Copyright © 2017 Elsevier B.V. All rights reserved.

First total-absorption spectroscopy measurement on the neutron-rich Cu isotopes

NASA Astrophysics Data System (ADS)

Naqvi, F.; Spyrou, A.; Liddick, S. N.; Larsen, A. C.; Guttormsen, M.; Bleuel, D. L.; Campo, L. C.; Couture, A.; Crider, B. P.; Dombos, A. C.; Ginter, T.; Lewis, R.; Mosby, S.; Perdikakis, G.; Prokop, C. P.; Quinn, S. J.; Renstrom, T.; Rubio, B.; Siem, S.

2015-10-01

The first beta-decay studies of 73-71Cu isotopes using the Total Absorption Spectroscopy (TAS) will be reported. The Cu isotopes have one proton outside the Z = 28 shell and hence are good candidates to probe the single-particle structure in the region.Theories predict weakening of the Z = 28 shell gap due to the tensor interaction between the valence πν single-particle orbitals. Comparing the beta-decay strength distributions in the daughter Zn isotopes to the theoretical calculations will provide a stringent test of the predictions. The experiment was performed at the National Superconducting Cyclotron Laboratory (NSCL) employing the TAS technique with the Summing NaI(Tl) detector, while beta decays were measured in the NSCL beta-counting system. The experimentally obtained total absorption spectra for the neutron-rich Cu isotopes will be presented and the implications of the extracted beta-feeding intensities will be discussed.

Spectral characteristics of ortho, meta and para dihydroxy benzenes in different solvents, pH and beta-cyclodextrin.

PubMed

Stalin, T; Devi, R Anitha; Rajendiran, N

2005-09-01

Spectral characteristics of ortho, meta and para dihydroxy benzenes (DHB's) have been studied in different solvents, pH and beta-cyclodextrin. Solvent study shows that: (i) the interaction of OH group with the aromatic ring is less than that of amino group both in the ground and excited states, (ii) in absorption, the charge transfer interaction of OH group in para position is larger than ortho and meta positions. pH studies reveals that DHB's are more acidic than phenol. The higher pK(a) value of oDHB (monoanion-dianion) indicates that the formed monoanion is more stabilized by intramolecular hydrogen bonding. DHB's forms a 1:1 inclusion complex with beta-CD. In beta-CD medium, absorption spectra of DHB's mono and dianions shows unusual blue shifts, whereas in the excited state, the spectral characteristics of DHB's follow the same trend in both aqueous and beta-CD medium.

Penning trap mass spectrometry Q-value determinations for highly forbidden β-decays

NASA Astrophysics Data System (ADS)

Sandler, Rachel; Bollen, Georg; Eibach, Martin; Gamage, Nadeesha; Gulyuz, Kerim; Hamaker, Alec; Izzo, Chris; Kandegedara, Rathnayake; Redshaw, Matt; Ringle, Ryan; Valverde, Adrian; Yandow, Isaac; Low Energy Beam Ion Trap Team

2017-09-01

Over the last several decades, extremely sensitive, ultra-low background beta and gamma detection techniques have been developed. These techniques have enabled the observation of very rare processes, such as highly forbidden beta decays e.g. of 113Cd, 50V and 138La. Half-life measurements of highly forbidden beta decays provide a testing ground for theoretical nuclear models, and the comparison of calculated and measured energy spectra could enable a determination of the values of the weak coupling constants. Precision Q-value measurements also allow for systematic tests of the beta-particle detection techniques. We will present the results and current status of Q value determinations for highly forbidden beta decays. The Q values, the mass difference between parent and daughter nuclides, are measured using the high precision Penning trap mass spectrometer LEBIT at the National Superconducting Cyclotron Laboratory.

Polypropionate lactones of deoxysugars glycosides from slime mold Lycogala epidendrum.

PubMed

Rezanka, Tomás; Dvoráková, Radmila

2003-08-01

Two novel polypropionate lactone glycosides (1 and 2, i.e. lycogalinosides A and B) were isolated from the slime mold Lycogala epidendrum. Their structures, including the absolute configurations of the hydroxyl and methyls groups, were determined by means of extensive spectroscopic data such as mass, IR, UV, and 1D and 2D NMR spectra and chemical degradation followed by spectroscopic and chromatographic analysis. Compounds 1 and 2 are unique in structure containing a 2-deoxy-alpha-L-fucopyranosyl-(1-4)-6-deoxy-beta-D-gulopyranosyl unit and a beta-D-olivopyranosyl-(1-4)-beta-D-fucopyranosyl unit, respectively, and showed growth inhibitory activities against Gram-positive bacteria.

High-resolution, far-ultraviolet study of Beta Draconis (G2 Ib-II) - Transition region structure and energy balance

NASA Technical Reports Server (NTRS)

Brown, A.; Jordan, C.; Stencel, R. E.; Linsky, J. L.; Ayres, T. R.

1984-01-01

High-resolution far ultraviolet spectra of the star Beta Draconis have been obtained with the IUE satellite. The observations and emission line data from the spectra are presented, the interpretation of the emission line widths and shifts is discussed, and the implications are given in terms of atmospheric properties. The emission measure distribution is derived, and density diagnostics involving both line ratios and line opacity arguments is investigated. The methods for calculating spherically symmetric models of the atmospheric structure are outlined, and several such models are presented. The extension of these models to log T(e) greater than 5.3 using the observed X-ray flux is addressed, the energy balance of an 'optimum' model is investigated, and possible models of energy transport and deposition are discussed.

Analysis of the Daya Bay Reactor Antineutrino Flux Changes with Fuel Burnup

DOE PAGES

Hayes, A. C.; Ricard-McCutchan, E. A.; Jungman, Gerard; ...

2018-01-12

We investigate the recent Daya Bay results on the changes in the antineutrino flux and spectrum with the burnup of the reactor fuel. We find that the discrepancy between current model predictions and the Daya Bay results can be traced to the original measured 235U/ 239Pu ratio of the fission beta spectra that were used as a base for the expected antineutrino fluxes. An analysis of the antineutrino spectra that is based on a summation over all fission fragment beta-decays, using nuclear database input, explains all of the features seen in the Daya Bay evolution data. However, this summation methodmore » still predicts an anomaly. Thus, we conclude that there is currently not enough information to use the antineutrino flux changes to rule out the possible existence of sterile neutrinos.« less

[Rapid identification of micro-constituents in monoammonium glycyrrhizinate raw materials by high-pressure solid phase extraction-high performance liquid chromatography-mass spectrometry].

PubMed

Yang, Xue-Dong; Tang, Xu-Yan; Sang, Lin

2012-11-01

To establish a method for rapid identification of micro-constituents in monoammonium glycyrrhizinate by high-pressure solid phase extraction-high performance liquid chromatography-mass spectrometry. HPLC preparative chromatograph was adopted for determining the optimal method for high-pressure solid phase extraction under optimal conditions. 5C18-MS-II column (20.0 mm x 20.0 mm) was used as the extraction column, with 35% acetonitrile-acetic acid solution (pH 2. 20) as eluent at the speed of 16 mL x min(-1). The sample size was 0.5 mL, and the extraction cycle was 4.5 min. Then, extract liquid was analyzed by high performance liquid chromatography-mass spectrometry (HPLC-MS) after being concentrated by 100 times. Under the optimal condition of high-pressure solid phase extraction-high performance liquid chromatography-mass spectrometry, 10 components were rapidly identified from monoammonium glycyrrhizinate raw materials. Among them, the chemical structures of six micro-constituents were identified as 3-O-[beta-D-glucuronopyranosyl-beta-D-glucuronopyranosyl]-30-0-beta-D-apiopyranosylglycyrrhetic/3-O- [P-D-glucuronopyranosyl-beta-D-glucuronopyranosyl]-30-O-beta-D-arabinopyranosylglycyrrhetic, glycyrrhizic saponin F3, 22-hydroxyglycyrrhizin/18alpha-glycyrrhizic saponin G2, 3-O-[beta-D-rhamnopyranosyl]-24-hydroxyglycyrrhizin, glycyrrhizic saponin J2, and glycyrrhizic saponin B2 by MS(n) spectra analysis and reference to literatures. Four main chemical components were identified as glycyrrhizic saponin G2, 18beta-glycyrrhizic acid, uralglycyrrhizic saponin B and 18alpha-glycyrrhizic acid by liquid chromatography, MS(n) and ultraviolet spectra information and comparison with reference substances. The method can be used to identify chemical constituents in monoammonium glycyrrhizinate quickly and effectively, without any reference substance, which provides basis for quality control and safe application of monoammonium glycyrrhizinate-related products.

Synthesis of 18,19-dihydroxycorticosterone.

PubMed

Harnik, M; Carmely, S; Cojocaru, M; Kashman, Y

1986-01-01

A four-step synthesis of 18,19-dihydroxycorticosterone 5c, starting with 19,21-dihydroxy-3,20-dioxopregn-5-ene-18,11 beta-lactone-di-(ethylene ketal) 2, is presented. Reduction of 2 with sodium aluminum bis-(methoxyethoxy)hydride gave 11 beta,18,19,21-tetrahydroxy-pregn-5-ene-3,20-dione-di-(ethylene ketal) 3a. Acetylation furnished the corresponding 18,19,21-triacetate 3b, which on treatment with a mixture of perchloric and acetic acids gave 18,19-dihydroxycorticosterone 18,19,21-triacetate 4b. Mild saponification yielded the title compound which, on the basis of ir and nmr spectra, exists as one C-20 isomer of the hemiacetal structure 5c. Periodate oxidation of 5c gave the expected 11 beta, 19-dihydroxy-3-oxoandrost-4-ene-17 beta, 18-carbolactone 6b.

Copernicus spectra of beta Lyrae. [in far UV

NASA Technical Reports Server (NTRS)

Hack, M.; Hutchings, J. B.; Kondo, Y.; Mccluskey, G. E.; Plavec, M.; Polidan, R. S.

1974-01-01

The observations reported were made in August and September 1973. The principal data were scans in the low resolution mode at phases nearly coincident with the two light minima. Shorter scans were obtained at the two quadrature phases. The data show that the secondary component of beta Lyrae is a hotter object than the visible B8 star. The velocity amplitude of the lines suggests that the secondary is the more massive object, by a factor of several times.

Measuring mass of neutrinos with {beta}-decays of tritium and rhenium

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

Dvornicky, R.; Simkovic, F.; Bogolyubov Laboratory of Theoretical Physics, JINR, Dubna

2009-11-09

Already long time ago the shape of the electron spectrum in {beta}-decays of {sup 3}H and {sup 187}Re has been recognized as an important tool for understanding of neutrino masses. The sensitivity of KATRIN (in preparation, tritium {beta}-decay) and the MARE (under consideration, {sup 187}Re{beta}-decay) experiments to neutrino mass will reach the sub eV domain. In view of this experimental progress there is a request for a highly accurate theoretical description of the electron endpoint spectra. By taking the advantage of the elementary particle treatment of {sup 3}H and {sup 3}He the relativistic form for {beta}-decay endpoint spectrum of tritiummore » is obtained by taking into account also the effect of nuclear recoil. Further, the currently unknown shape of the electron spectrum for the {beta}-decay of {sup 187}Re is presented. It is found that the first forbidden {sup 187}Re(5/2{sup +}){yields}{sup 187}Os(1/2{sup -}){beta}-decay transition is accompanied with emission of mostly p{sub 3/2}-state electrons.« less

Measurement of (222)Rn by absorption in plastic scintillators and alpha/beta pulse shape discrimination.

PubMed

Mitev, Krasimir K

2016-04-01

This work demonstrates that common plastic scintillators like BC-400, EJ-200 and SCSF-81 absorb radon and their scintillation pulse decay times are different for alpha- and beta-particles. This allows the application of pulse shape analysis for separation of the pulses of alpha- and beta-particles emitted by the absorbed radon and its progeny. It is shown that after pulse shape discrimination of beta-particles' pulses, the energy resolution of BC-400 and EJ-200 alpha spectra is sufficient to separate the peaks of (222)Rn, (218)Po and (214)Po and allows (222)Rn measurements that are unaffected by the presence of thoron ((220)Rn) in the environment. The alpha energy resolution of SCSF-81 in the experiments degrades due to imperfect collection of the light emitted inside the scintillating fibers. The experiments with plastic scintillation microspheres (PSM) confirm previous findings of other researchers that PSM have alpha-/beta-discrimination properties and show suitability for radon measurements. The diffusion length of radon in BC-400 and EJ-200 is determined. The pilot experiments show that the plastic scintillators are suitable for radon-in-soil-gas measurements. Overall, the results of this work suggest that it is possible to develop a new type of radon measurement instruments which employ absorption in plastic scintillators, pulse-shape discrimination and analysis of the alpha spectra. Such instruments can be very compact and can perform continuous, real-time radon measurements and thoron detection. They can find applications in various fields from radiation protection to earth sciences. Copyright © 2016 Elsevier Ltd. All rights reserved.

Experimental Constraints on Neutrino Spectra Following Fission

NASA Astrophysics Data System (ADS)

Napolitano, Jim; Daya Bay Collaboration

2016-09-01

We discuss new initiatives to constrain predictions of fission neutrino spectra from nuclear reactors. These predictions are germane to the understanding of reactor flux anomalies; are needed to reduce systematic uncertainty in neutrino oscillation spectra; and inform searches for the diffuse supernova neutrino background. The initiatives include a search for very high- Q beta decay components to the neutrino spectrum from the Daya Bay power plant; plans for a measurement of the β- spectrum from 252Cf fission products; and precision measurements of the 235U fission neutrino spectrum from PROSPECT and other very short baseline reactor experiments.

Correlation between disease severity and brain electric LORETA tomography in Alzheimer's disease.

PubMed

Gianotti, Lorena R R; Künig, Gabriella; Lehmann, Dietrich; Faber, Pascal L; Pascual-Marqui, Roberto D; Kochi, Kieko; Schreiter-Gasser, Ursula

2007-01-01

To compare EEG power spectra and LORETA-computed intracortical activity between Alzheimer's disease (AD) patients and healthy controls, and to correlate the results with cognitive performance in the AD group. Nineteen channel resting EEG was recorded in 21 mild to moderate AD patients and in 23 controls. Power spectra and intracortical LORETA tomography were computed in seven frequency bands and compared between groups. In the AD patients, the EEG results were correlated with cognitive performance (Mini Mental State Examination, MMSE). AD patients showed increased power in EEG delta and theta frequency bands, and decreased power in alpha2, beta1, beta2 and beta3. LORETA specified that increases and decreases of power affected different cortical areas while largely sparing prefrontal cortex. Delta power correlated negatively and alpha1 power positively with the AD patients' MMSE scores; LORETA tomography localized these correlations in left temporo-parietal cortex. The non-invasive EEG method of LORETA localized pathological cortical activity in our mild to moderate AD patients in agreement with the literature, and yielded striking correlations between EEG delta and alpha1 activity and MMSE scores in left temporo-parietal cortex. The present data support the hypothesis of an asymmetrical progression of the Alzheimer's disease.

Temperature-dependent optical band gap of the metastable zinc-blende structure [beta]-GaN

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

Ramirez-Flores, G.; Navarro-Contreras, H.; Lastras-Martinez, A.

1994-09-15

The temperature-dependent (10--300 K) optical band gap [ital E][sub 0]([ital T]) of the epitaxial metastable zinc-blende-structure [beta]-GaN(001)4[times]1 has been determined by modulated photoreflectance and used to interpret low-temperature photoluminescence spectra. [ital E][sub 0] in [beta]-GaN was found to vary from 3.302[plus minus]0.004 eV at 10 K to 3.231[plus minus]0.008 eV at 300 K with a temperature dependence given by [ital E][sub 0]([ital T]) =3.302--6.697[times]10[sup [minus]4][ital T][sup 2]/([ital T]+600) eV. The spin-orbit splitting [Delta][sub 0] in the valence band was determined to be 17[plus minus]1 meV. The oscillations in the photoreflectance spectra were very sharp with a broadening parameter [Gamma] ofmore » only 10 meV at 10 K. The dominant transition observed in temperature-dependent photoluminescence was attributed to radiative recombination between a shallow donor, at [congruent]11 meV below the conduction-band edge and the valence band.« less

Spectroscopic studies of interactions between dyes and model molecules of Alzheimer's disease

NASA Astrophysics Data System (ADS)

Elhaddaoui, A.; Delacourte, A.; Turrell, S.

1993-06-01

Raman, FTIR, fluorescence, and UV-visible spectra are used to study interactions between amuloid-labelling dyes and poly-L-lysine and bovine insulin, two proteins which play the role of models of (beta) amyloid of Alzheimers disease. It is found that though the (beta) conformation of the peptide is not essential, it helps to encourage binding which appears to be stable and specific in nature, involving SO3- groups of the dyes and NH2 groups of the proteins.

Beer Law Constants and Vapor Pressures of HgI2 over HgI2(s,l)

NASA Technical Reports Server (NTRS)

Su, Ching-Hua; Zhu, Shen; Ramachandran, N.; Burger, A.; Whitaker, Ann F. (Technical Monitor)

2001-01-01

The optical absorption spectra of the vapor phase over HgI2(s,l) were measured for wavelengths between 200 and 600 nm. The spectra show that the sample sublimed congruently into HgI2 with no Hg or I2 absorption spectrum observed. The Beer's Law constants for 15 wavelengths between 200 and 440 nm were determined. From these constants the vapor pressure of H912, P, was established as a function of temperatures for the liquid and the solid Beta-phases. The expressions correspond to the enthalpies of vaporization and sublimation of 15.30 and 20.17 Kcal/mole, respectively, for the liquid and the Beta-phase HgI2. The difference in the enthalpies gives an enthalpy of fusion of 4.87 Kcal/mole and the intersection of the two expressions gives a melting point of 537 K.

The 4 micron spectra of compact infrared sources

NASA Technical Reports Server (NTRS)

Hofmann, R.; Larson, H. P.; Fink, U.

1986-01-01

High resolution 5 arcsec spectra in the 4 micron region are presented of the central 5 arcsec of the compact near infrared sources K3-50, W51-IRS2 East, and G333.6-0.2. From measured Br-alpha/Pf-beta line ratios and previously published infrared and radio maps, it is concluded that standard recombination theory fails to explain our observations in at least two cases. It is demonstrated that the data are consistent with thermal excitation of the hydrogen lines in strong stellar winds. The Pf-beta Hu-epsilon line ratio, which is completely insensitive to differential extinction, confirms the need for the stellar wind model for the core of G333.6-0.2. From the (K III) line it is estimated that the potassium abundance in G333.6-0.2 is at least equal to the solar value, and possibly enhanced by a factor up to 10.

Comparison of new and existing algorithms for the analysis of 2D radioxenon beta gamma spectra

DOE PAGES

Deshmukh, Nikhil; Prinke, Amanda; Miller, Brian; ...

2017-01-13

The aim of this study is to compare radioxenon beta–gamma analysis algorithms using simulated spectra with experimentally measured background, where the ground truth of the signal is known. We believe that this is among the largest efforts to date in terms of the number of synthetic spectra generated and number of algorithms compared using identical spectra. We generate an estimate for the minimum detectable counts for each isotope using each algorithm. The paper also points out a conceptual model to put the various algorithms into a continuum. Finally, our results show that existing algorithms can be improved and some newermore » algorithms can be better than the ones currently used.« less

N.m.r. studies of the conformation of analogues of methyl beta-lactoside in methyl sulfoxide-d6.

PubMed

Rivera-Sagredo, A; Jiménez-Barbero, J; Martín-Lomas, M

1991-12-16

The 1H- and 13C-n.m.r. spectra of solutions of methyl beta-lactoside (1), all of its monodeoxy derivatives (2, 3, 6-10), the 3-O-methyl derivative (4), and methyl 4-O-beta-D-galactopyranosyl-D-xylopyranoside (5) in methyl sulfoxide-d6 have been analysed. The n.O.e.'s and specific desheildings indicate similar distributions of low-energy conformers, comparable to those in aqueous solution. The major conformer has torsion angles phi H and psi H of 49 degrees and 5 degrees, respectively, with contributions of conformers with phi/psi 24 degrees/-59 degrees, 22 degrees/32 degrees, and 6 degrees/44 degrees.

Dielectric spectroscopy in benzophenone: the beta relaxation and its relation to the mode-coupling Cole-Cole peak.

PubMed

Pardo, L C; Lunkenheimer, P; Loidl, A

2007-09-01

We report a thorough characterization of the glassy dynamics of benzophenone by broadband dielectric spectroscopy. We detect a well-pronounced beta relaxation peak developing into an excess wing with increasing temperature. A previous analysis of results from Optical-Kerr-effect measurements of this material within the mode-coupling theory revealed a high-frequency Cole-Cole peak. We address the question if this phenomenon also may explain the Johari-Goldstein beta relaxation, a so-far unexplained spectral feature inherent to glass-forming matter, mainly observed in dielectric spectra. Our results demonstrate that according to the present status of theory, both spectral features seem not to be directly related.

CONCERNING THE PROBLEM OF THE SYSTEMATIZATION OF $beta$ SPECTRA

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

Seidl, R.

1956-01-01

S>From data on the energy liberated during KB capture or ing BETA decay, the problem of the construction of a shell model of the nucleus is considered. It is proposed at the BETA transition is carried out by the last particle in the shell. The neutron and proton levels are considered individually. It is stated, that on the basis of the data on topes and the values of the nuclear spins. To obtain agreement with the nuclear binding energies and the data on nuclear reactions, it becomes necessary to propose that the transition of each nucleon causes a lowering ofmore » the bottom of the potentisl well of the nucleus.« less

In vivo lactate and beta-hydroxybutyrate editing using a pure-phase refocusing pulse train.

PubMed

Shen, J; Novotny, E J; Rothman, D L

1998-11-01

A refocusing pulse train consisting of a semiselective refocusing pulse and a selective inversion pulse to obtain a pure-phase refocusing at the frequency of maximal excitation of the semiselective refocusing pulse is proposed and applied to in vivo lactate and beta-hydroxybutyrate editing using difference spectroscopy. It is shown, using both rotation matrix theory and phantom experiments, that the soft inversion pulse has to be halved to flank the semiselective pulse to obtain perfect refocusing and cancellation of interfering resonances. The editing method is used to obtain lactate and beta-hydroxybutyrate spectra from the occipital cortex of juvenile epilepsy patients before and after ketogenic diet treatment.

[Determination of critical micelle concentration of alkyl polyglucoside (APG) nonionic surfactant aqueous system by multi-peaks Gaussian fitting of visible absorption spectra line shape].

PubMed

Zhang, Jian-Hua; Kong, Kai-Qing; He, Zheng-Ling; Liu, Zi-Li

2007-07-01

A multi-peaks Gaussian fitting on the line shape of visible spectra was used to determine the critical micelle concentration (CMC) of alkyl polyglucoside (APG) nonionic surfactant aqueous system such as octyl beta D mono-glucoside (C8 G1) and decyl beta D mono-glucoside (C10 G1). Visible electronic absorption spectra of a series of different concentration C8G1 or C10G1 with crystal violet (CV) used as a probe were measured respectively and characterized by the overlap of the principal peak with lambda(max) at 598-609 nm and a shoulder at 538-569 nm assigned to monomer and dimer CV respectively. A multi-peaks Gaussian fitting was used to interpret the spectra and give relative integrating absorbance (A2/A1) of two peaks, red-shift (deltalambda) and half-width. A sudden change occurred at CMC in the curves of the relative integrating absorbance (A2/A1), red-shift (deltalambda) and half-width (w1, w2) versus the C8G1 or C10G1 surfactant concentrations. Significantly the dependence of the CMC upon the half-width was ob-served for the first time and successfully used to determine CMC of nonionic surfactant such as APG.

Differences between magnetoencephalographic (MEG) spectral profiles of drugs acting on GABA at synaptic and extrasynaptic sites: a study in healthy volunteers.

PubMed

Nutt, David; Wilson, Sue; Lingford-Hughes, Anne; Myers, Jim; Papadopoulos, Andreas; Muthukumaraswamy, Suresh

2015-01-01

A range of medications target different aspects of the GABA system; understanding their effects is important to inform further drug development. Effects on the waking EEG comparing these mechanisms have not been reported; in this study we compare the effects on resting MEG spectra of the benzodiazepine receptor agonist zolpidem, the delta sub-unit selective agonist gaboxadol (also known as THIP) and the GABA reuptake inhibitor tiagabine. These were two randomised, single-blind, placebo-controlled, crossover studies in healthy volunteers, one using zolpidem 10 mg, gaboxadol 15 mg and placebo, and the other tiagabine 15 mg and placebo. Whole head MEG recordings and individual MEG spectra were divided into frequency bands. Baseline spectra were subtracted from each post-intervention spectra and then differences between intervention and placebo compared. After zolpidem there were significant increases in beta frequencies and reduction in alpha frequency power; after gaboxadol and tiagabine there were significant increases in power at all frequencies up to beta. Enhancement of tonic inhibition via extrasynaptic receptors by gaboxadol gives rise to a very different MEG signature from the synaptic action of zolpidem. Tiagabine theoretically can affect both types of receptor; from these MEG results it is likely that the latter is the more prominent effect here. Copyright © 2014 The Authors. Published by Elsevier Ltd.. All rights reserved.

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

Shanmugam, Ganesh; Polavarapu, Prasad L.; Hallgas, Balazs

The effects of D-amino acids at Asp{sup 23} and Ser{sup 26} residues on the conformational preference of {beta}-amyloid (A{beta}) peptide fragment (A{beta}{sub 20-29}) have been studied using different spectroscopic techniques, namely vibrational circular dichroism (VCD), vibrational absorption, and electronic circular dichroism. To study the structure of the A{beta}{sub 20-29}, [D-Asp{sup 23}]A{beta}{sub 20-29}, and [D-Ser{sup 26}]A{beta}{sub 20-29} peptides under different conditions, the spectra were measured in 10 mM acetate buffer (pH 3) and in 2,2,2-trifluoroethanol (TFE). The spectroscopic results indicated that at pH 3, A{beta}{sub 20-29} peptide takes random coil with {beta}-turn structure, while [D-Ser{sup 26}]A{beta}{sub 20-29} peptide adopts significant amountmore » of polyproline II (PPII) type structure along with {beta}-turn contribution and D-Asp-substituted peptide ([D-Asp{sup 23}]A{beta}{sub 20-29}) adopts predominantly PPII type structure. The increased propensity for PPII conformation upon D-amino acid substitution, in acidic medium, has important biological implications. In TFE, A{beta}{sub 20-29}, [D-Asp{sup 23}]A{beta}{sub 20-29}, and [D-Ser{sup 26}]A{beta}{sub 20-29} peptides adopt 3{sub 10}-helix, {alpha}-helix, and random coil with some {beta}-turn structures, respectively. The VCD data obtained for the A{beta} peptide films suggested that the secondary structures for the peptide films are not the same as those for corresponding solution and are also different among the A{beta} peptides studied here. This observation suggests that dehydration can have a significant influence on the structural preferences of these peptides.« less

Vibrational spectroscopy of the electronically excited state. 4. Nanosecond and picosecond time-resolved resonance Raman spectroscopy of carotenoid excited states

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

Dallinger, R.F.; Farquharson, S.; Woodruff, W.H.

Resonance Raman and electronic absorption spectra are reported for the S/sub 0/ and T/sub 1/ states of the carotenoids ..beta..-carotene, zeaxanthin, echinenone, canthaxanthin, dihydroxylycopene, astaxanthin, decapreno(C/sub 50/)-..beta..-carotene, ..beta..-apo-8'-carotenal, and ethyl ..beta..-apo-8'-carotenoate. The results reveal qualitatively similar ground-state spectra and similar frequency shifts in all observed resonance Raman modes between S/sub 0/ and T/sub 1/, regardless of carotenoid structure. Examinations of the relationship of the putative C--C and C==C frequencies in S/sub 0/ and T/sub 1/ reveals anomalous shifts to lower frequency in the ''single-bond'' mode upon electronic excitation. These shifts may be due to molecular distortions in the excited statemore » which force changes in molecular motions comprising the observed modes. However, another possibility requiring no distortion is that the interaction (off-diagonal) force constants connecting the C--C and C==C modes change sign upon electronic excitation. This latter phenomenon may provide a unitary explanation for the ''anomalous'' frequency shifts in the C--C and C==C modes, both in the T/sub 1/ states of carotenoids and in the S/sub 1/ states of simpler polyenes, without postulating large, unpredicted structural changes upon excitation or general errors in existing vibrational or theoretical analyses. Resonance Raman and absorbance studies with 35-ps time resolution suggest that S/sub 1/ lifetime (of the /sup 1/B/sub u/ and/or the /sup 1/A/sub g/* states) of ..beta..-carotene in benzene is less than 1 ps.« less

A novel method for rapid in vitro radiobioassay

NASA Astrophysics Data System (ADS)

Crawford, Evan Bogert

Rapid and accurate analysis of internal human exposure to radionuclides is essential to the effective triage and treatment of citizens who have possibly been exposed to radioactive materials in the environment. The two most likely scenarios in which a large number of citizens would be exposed are the detonation of a radiation dispersal device (RDD, "dirty bomb") or the accidental release of an isotope from an industrial source such as a radioisotopic thermal generator (RTG). In the event of the release and dispersion of radioactive materials into the environment in a large city, the entire population of the city -- including all commuting workers and tourists -- would have to be rapidly tested, both to satisfy the psychological needs of the citizens who were exposed to the mental trauma of a possible radiation dose, and to satisfy the immediate medical needs of those who received the highest doses and greatest levels of internal contamination -- those who would best benefit from rapid, intensive medical care. In this research a prototype rapid screening method to screen urine samples for the presence of up to five isotopes, both individually and in a mixture, has been developed. The isotopes used to develop this method are Co-60, Sr-90, Cs-137, Pu-238, and Am-241. This method avoids time-intensive chemical separations via the preparation and counting of a single sample on multiple detectors, and analyzing the spectra for isotope-specific markers. A rapid liquid-liquid separation using an organic extractive scintillator can be used to help quantify the activity of the alpha-emitting isotopes. The method provides quantifiable results in less than five minutes for the activity of beta/gamma-emitting isotopes when present in the sample at the intervention level as defined by the Centers for Disease Control and Prevention (CDC), and quantifiable results for the activity levels of alpha-emitting isotopes present at their respective intervention levels in approximately 30 minutes of sample preparation and counting time. Radiation detector spectra -- e.g. those from high-purity germanium (HPGe) gamma detectors and liquid scintillation detectors -- which contain decay signals from multiple isotopes often have overlapping signals: the counts from one isotope's decay can appear in energy channels associated with another isotope's decay, complicating the calculation of each isotope's activity. The uncertainties associated with analyzing these spectra have been traced in order to determine the effects of one isotope's count rate on the sensitivity and uncertainty associated with each other isotope. The method that was developed takes advantage of activated carbon filtration to eliminate quenching effects and to make the liquid scintillation spectra from different urine samples comparable. The method uses pulse-shape analysis to reduce the interference from beta emitters in the liquid scintillation spectrum and improve the minimum detectable activity (MDA) and minimum quantifiable activity (MQA) for alpha emitters. The method uses an HPGe detector to quantify the activity of gamma emitters, and subtract their isotopes' contributions to the liquid scintillation spectra via a calibration factor, such that the pure beta and pure alpha emitters can be identified and quantified from the resulting liquid scintillation spectra. Finally, the method optionally uses extractive scintillators to rapidly separate the alpha emitters from the beta emitters when the activity from the beta emitters is too great to detect or quantify the activity from the alpha emitters without such a separation. The method is able to detect and quantify all five isotopes, with uncertainties and biases usually in the 10-40% range, depending upon the isotopic mixtures and the activity ratios between each of the isotopes.

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

Streltsov, Victor A.; Titmuss, Stephen J.; Epa, V. Chandana

Neurodegeneration observed in Alzheimer disease (AD) is believed to be related to the toxicity from reactive oxygen species (ROS) produced in the brain by the amyloid-{beta} (A{beta}) protein bound primarily to copper ions. The evidence for an oxidative stress role of A{beta}-Cu redox chemistry is still incomplete. Details of the copper binding site in A{beta} may be critical to the etiology of AD. Here we present the structure determined by combining x-ray absorption spectroscopy (XAS) and density functional theory analysis of A{beta} peptides complexed with Cu{sup 2+} in solution under a range of buffer conditions. Phosphate-buffered saline buffer salt (NaCl)more » concentration does not affect the high-affinity copper binding mode but alters the second coordination sphere. The XAS spectra for truncated and full-length A{beta}-Cu{sup 2+} peptides are similar. The novel distorted six-coordinated (3N3O) geometry around copper in the A{beta}-Cu{sup 2+} complexes include three histidines: glutamic, or/and aspartic acid, and axial water. The structure of the high-affinity Cu{sup 2+} binding site is consistent with the hypothesis that the redox activity of the metal ion bound to A{beta} can lead to the formation of dityrosine-linked dimers found in AD.« less

Efficient photosensitized splitting of the thymine dimer/oxetane unit on its modifying beta-cyclodextrin by a binding electron donor.

PubMed

Tang, Wen-Jian; Song, Qin-Hua; Wang, Hong-Bo; Yu, Jing-Yu; Guo, Qing-Xiang

2006-07-07

Two modified beta-cyclodextrins (beta-CDs) with a thymine dimer and a thymine oxetane adduct respectively, TD-CD and Ox-CD, have been prepared, and utilized to bind an electron-rich chromophore, indole or N,N-dimethylaniline (DMA), to form a supramolecular complex. We have examined the photosensitized splitting of the dimer/oxetane unit in TD-CD/Ox-CD by indole or DMA via an electron-transfer pathway, and observed high splitting efficiencies of the dimer/oxetane unit. On the basis of measurements of fluorescence spectra and splitting quantum yields, it is suggested that the splitting reaction occurs in a supramolecular complex by an inclusion interaction between the modified beta-CDs and DMA or indole. The back electron transfer, which leads low splitting efficiencies for the covalently-linked chromophore-dimer/oxetane compounds, is suppressed in the non-covalently-bound complex, and the mechanism has been discussed.

Chemical synthesis of beta-O-4 type artificial lignin.

PubMed

Kishimoto, Takao; Uraki, Yasumitsu; Ubukata, Makoto

2006-04-07

An artificial lignin polymer containing only the beta-O-4 substructure was synthesized. The procedure consists of two key steps: 1) polycondensation of a brominated monomer by aromatic Williamson reaction; and 2) subsequent reduction of the carbonyl polymer. 13C-NMR and HMQC spectra of the polymer were consistent with beta-O-4 substructures in milled wood lignin isolated from Japanese fir wood. The weight average degree of polymerization (DP(w)) ranged from 19.5 to 30.6, which is comparable to enzymatically synthesized artificial lignin from p-hydroxycinnamyl alcohols (dehydrogenation polymer, DHP) and some isolated lignins. Using this new lignin model polymer, it will now be possible to reinvestigate the properties and reactivity of the main lignin structure in terms of its polymeric character.

[Studies on the chemical constituents from the bark of Choerospondias axillaries].

PubMed

Li, Sheng-Hua; Wu, Xian-Jin; Zheng, Yao; Jiang, Chong-Liang

2009-10-01

To study the chemical constituents of Choerospondias axillaries. All compounds were isolated and purified by normal column chromatograph, paper thin layer chromatograph and sephadex chromatograph, the chemical strucures were mainly elucidated by ESI-MS and NMR spectra. seven compouds were isolated from the Choerospondias axillaries and as following: beta-sitostero (I), hexadecanoic acid (II), correctitude fourty-two alkyl acid (III), daucosterol (IV), quercetin (V), rutinum (VI), lueolin-3'-O-beta-D-glucopyranoside (VII). Compounds II, III, V, VII are isolated from this plant for the first time.

Observation of beta and X rays with 3-D-architecture silicon microstrip sensors

NASA Astrophysics Data System (ADS)

Kenney, C. J.; Parker, S. I.; Krieger, B.; Ludewigt, B.; Dubbs, T. P.; Sadrozinski, H.

2001-04-01

The first silicon radiation sensors based on the three-dimensional (3-D) architecture have been successfully fabricated. X-ray spectra from iron-55 and americium-241 have been recorded by reading out a 3-D architecture detector via wire bonds to a low-noise, charge-sensitive preamplifier. Using a beta source, coincidences between a 3-D sensor and a plastic scintillator were observed. This is the first observation of ionizing radiation using a silicon sensor based on the 3-D architecture. Details of the apparatus and measurements are described.

A new isocoumarin from Cajanus cajan (Fabaceae).

PubMed

Rodrigues, Virginia F; Oliveira, Rodrigo R; Vega, Maria Raquel G

2014-04-01

A new isocoumarin, 3-phenyl-8-hydroxy-6-methoxy-5-gamma,gamma-dimethylallyl-isocoumarin, named cajavilmina (1) and eight known compounds: a-amirenone (2), beta-amirenone (3), lupenone (4), 5-hydroxy-7-methoxydihydroflavone (5), longistilin C (6), 3-hydroxy-5-methoxystilbene (7), beta-sitosterol (8) and stigmasterol (9) were identified in a dichloromethane fraction from Cajanus cajan leaves. Structures were elucidated by analysis of spectral data, mainly those afforded by 1H, NOEDIFF and 13C NMR (1D and 2D NMR HMQC, HMBC and COSY) and mass spectra.

Gibberellins in shoots and developing capsules of Populus species.

PubMed

Pearce, David W; Hutt, Oliver E; Rood, Stewart B; Mander, Lewis N

2002-03-01

Extracts of stems of growing shoots of Populus deltoides and P. trichocarpa, and developing capsules of P. deltoides were analysed for gibberellins (GAs) by gas chromatography-mass spectrometry. The following known GAs were identified by comparison of their Kovats retention indices (KRIs) and mass spectra with those of standards: GA1, GA8, GA9, GA19, GA20, 16 beta,17-dihydro-17-hydroxy GA20, GA23, GA28, GA29, GA34, GA44, and GA97. Several of these have not been previously reported from Populus. In addition, two new GAs were identified as 12 beta-hydroxy GA53 (GA127) and 16 beta,17-dihydro-17-hydroxy GA53 and their structures were confirmed by partial synthesis. Evidence was found of 16,17-dihydro-16,17-dihydroxy GA9, 16,17-dihydro-16,17-dihydroxy GA12, 12-hydroxy GA14, and GA34-catabolite by comparison of mass spectra and KRIs with published data. Several putative GAs (hydroxy- and dihydroxy-GA12-like) were also found. The catabolites of active GAs or of key precursors, hydroxylated at C-2 in stems and either C-2, C-12, C-17, or C-16,17 in capsules, were the major proportion of the GAs.

13C NMR investigation of nonenzymatic glucosylation of protein. Model studies using RNase A.

PubMed

Neglia, C I; Cohen, H J; Garber, A R; Ellis, P D; Thorpe, S R; Baynes, J W

1983-12-10

Nonenzymatic glucosylation of protein is initiated by the reversible condensation of glucose in its open chain form with the amino groups on the protein. The initial product is an aldimine (Schiff base) which cyclizes to the glycosylamine derivative. The aldimine can undergo a slow Amadori rearrangement to yield the relatively stable ketoamine adduct which is structurally analogous to fructose. 13C NMR has been used to characterize these early products of nonenzymatic glucosylation, using RNase A as a model protein. C-1 of the beta-pyranose anomer of the glycosylamine was identified at 88.8 ppm in the spectrum of RNase glucosylated approximately 1:1 with D-[1-13C]glucose. C-1 of the Amadori product was also apparent in this spectrum, resonating as a pair of intense peaks at 52.7 and 53.1 ppm. The anomeric (C-2) resonances of the Amadori adduct were seen in the spectrum of RNase glucosylated approximately 1:1 with [U-13C]glucose. This spectrum was interpreted by comparison to the spectra of reference compounds: D-fructose, fructose-glycine, N alpha-formyl-N epsilon-fructose-lysine, and glucosylated poly-L-lysine. In the protein spectrum, the most intense of the C-2 resonances was that of the beta-fructopyranose anomer at 95.8 ppm. The alpha- and beta-fructofuranose anomers were also observed at 101.7 and 99.2 ppm, respectively. One unidentified signal in the anomeric region was observed in the spectra of poly-L-lysine and RNase, both glucosylated with [U-13C]glucose; no comparable resonances were observed in the spectra of the model compounds.

A study of polarized spectra of magnetic CP stars: Predicted š. observed Stokes IQUV profiles for beta CrB and 53 Cam

NASA Astrophysics Data System (ADS)

Bagnulo, S.; Wade, G. A.; Donati, J.-F.; Landstreet, J. D.; Leone, F.; Monin, D. N.; Stift, M. J.

2001-04-01

We present a comparison of observed and calculated Stokes IQUV spectra of two well-known magnetic chemically peculiar stars, beta Coronae Borealis and 53 Camelopardalis. The observed Stokes spectra were recently described by Wade et al. (\\cite{wad00a}), and have been complemented with additional circularly polarized spectra obtained at the Special Astrophysical Observatory. The calculated spectra represent the predictions of new and previously published magnetic field models derived from the analysis of some surface averaged field estimates (e.g., longitudinal field, magnetic field modulus, etc.). We find that these magnetic models are not sufficient to account fully for the observed Stokes profiles - particularly remarkable is the disagreement between the predicted and observed Stokes Q and U profiles of 53 Cam. We suggest that this should be interpreted in terms of magnetic morphologies which are significantly more complex than the second-order multipolar expansions assumed in the models. However, it is clear that some of our inability to reproduce the detailed shapes of the Stokes IQUV profiles is unrelated to the magnetic models. For many metallic ions, for both stars, we found it impossible to account for the strengths and shapes of the observed spectral line profiles when we adopted a unique value for the individual ion abundance. We suggest that this results from strongly non-uniform distributions of these ions as a function of optical depth (i.e., chemical stratification), a hypothesis that is supported by comparison with simple chemically stratified models. Based on observations obtained with the 2 m Bernard Lyot telescope of the Pic-du-Midi Observatory, the 1 m telescope of the Special Astrophysical Observatory, and the 0.9 m telescope of the Osservatorio Astrofisico di Catania.

Complete (1)H resonance assignment of beta-maltose from (1)H-(1)H DQ-SQ CRAMPS and (1)H (DQ-DUMBO)-(13)C SQ refocused INEPT 2D solid-state NMR spectra and first principles GIPAW calculations.

PubMed

Webber, Amy L; Elena, Bénédicte; Griffin, John M; Yates, Jonathan R; Pham, Tran N; Mauri, Francesco; Pickard, Chris J; Gil, Ana M; Stein, Robin; Lesage, Anne; Emsley, Lyndon; Brown, Steven P

2010-07-14

A disaccharide is a challenging case for high-resolution (1)H solid-state NMR because of the 24 distinct protons (14 aliphatic and 10 OH) having (1)H chemical shifts that all fall within a narrow range of approximately 3 to 7 ppm. High-resolution (1)H (500 MHz) double-quantum (DQ) combined rotation and multiple pulse sequence (CRAMPS) solid-state NMR spectra of beta-maltose monohydrate are presented. (1)H-(1)H DQ-SQ CRAMPS spectra are presented together with (1)H (DQ)-(13)C correlation spectra obtained with a new pulse sequence that correlates a high-resolution (1)H DQ dimension with a (13)C single quantum (SQ) dimension using the refocused INEPT pulse-sequence element to transfer magnetization via one-bond (13)C-(1)H J couplings. Compared to the observation of only a single broad peak in a (1)H DQ spectrum recorded at 30 kHz magic-angle spinning (MAS), the use of DUMBO (1)H homonuclear decoupling in the (1)H DQ CRAMPS experiment allows the resolution of distinct DQ correlation peaks which, in combination with first-principles chemical shift calculations based on the GIPAW (Gauge Including Projector Augmented Waves) plane-wave pseudopotential approach, enables the assignment of the (1)H resonances to the 24 distinct protons. We believe this to be the first experimental solid-state NMR determination of the hydroxyl OH (1)H chemical shifts for a simple sugar. Variable-temperature (1)H-(1)H DQ CRAMPS spectra reveal small increases in the (1)H chemical shifts of the OH resonances upon decreasing the temperature from 348 K to 248 K.

Characterization of a new multifunctional beta-glucosidase from Musca domestica.

PubMed

Zhang, Shu; Huang, Jian; Hu, Rong; Guo, Guo; Shang, Xiaoli; Wu, Jianwei

2017-08-01

To engineer Pichia pastoris for heterologous production of cellulase from Musca domestica and explore its potential for industrial applications. A new beta-glucosidase gene (bg), encoding 562 amino acids, was cloned from M. domestica by using rapid amplification of cDNA ends. The gene bg was linked to pPICZαA and expressed in P. pastoris with a yield of 500 mg l -1 . The enzyme has the maximum activity with 27.6 U mg -1 towards cellulose. The beta-glucosidase has stable activity from 20 to 70 °C and can tolerate one-mole glucose. It has the maximum activities for salicin (25.9 ± 1.8 U mg -1 ), cellobiose (40.1 ± 2.3 U mg -1 ) and cellulose (27.6 ± 3.5 U mg -1 ). The wide-range substrate activities of the beta-glucosidase were further verified by matrix-assisted laser desorption/ionization mass spectra. Structural analysis shows that the beta-glucosidase belongs to glycoside hydrolase family Ι and possesses O-glycosylation sites. Thus, a multifunctional beta-glucosidase was expressed from M. domestica and provides a potential tool for industrial application of cellulose.

Characterization of flavonols in cranberry (Vaccinium macrocarpon) powder.

PubMed

Vvedenskaya, Irina O; Rosen, Robert T; Guido, Jane E; Russell, David J; Mills, Kent A; Vorsa, Nicholi

2004-01-28

Flavonoids were extracted from cranberry powder with acetone and ethyl acetate and subsequently fractionated with Sephadex LH-20 column chromatography. The fraction eluted with a 60% methanol solution was composed primarily of phenolic constituents with maximum absorbance at 340 nm. A high-performance liquid chromatography procedure was developed, which resolved 22 distinct peaks with UV/vis and mass spectra corresponding to flavonol glycoside conjugates. Six new constituents not previously reported in cranberry or in cranberry products were determined through NMR spectroscopy to be myricetin-3-beta-xylopyranoside, quercetin-3-beta-glucoside, quercetin-3-alpha-arabinopyranoside, 3'-methoxyquercetin-3-alpha-xylopyranoside, quercetin-3-O-(6' '-p-coumaroyl)-beta-galactoside, and quercetin-3-O-(6' '-benzoyl)-beta-galactoside. Quercetin-3-O-(6' '-p-coumaroyl)-beta-galactoside and quercetin-3-O-(6' '-benzoyl)-beta-galactoside represent a new class of cranberry flavonol compounds with three conjugated components consisting of a flavonol, sugar, and carboxylic acid (benzoic or hydroxycinnamic acids). This is also the first report identifying quercetin-3-arabinoside in both furanose and pyranose forms in cranberry. Elucidation of specific flavonol glycosides in cranberry is significant since the specificity of the sugar moiety may play a role in the bioavailability of the flavonol glycosides in vivo.

Noise-Enhanced Measurement of Weak Doublet Spectra with a Fourier-Transform Spectrometer and a 1-Bit Analog-to-Digital Converter.

PubMed

Lim, M; Saloma, C

2001-04-10

We demonstrate an efficient noise dithering procedure for measuring the power spectrum of a weak spectral doublet with a Fourier-transform spectrometer in which the subthreshold interferogram is measured by a 1-bit analog-to-digital converter without oversampling. In the absence of noise, no information is obtained regarding the doublet spectrum because the modulation term s(x) of its interferogram is below the instrumental detection limit B, i.e., |s(x)| < B, for all path difference x values. Extensive numerical experiments are carried out concerning the recovery of the doublet power spectrum that is represented by s(x) = (s(0)/2)exp(-pi(2)x(2)/beta)[cos(2pif(1)x) + cos(2pif(2)x)], where s(0) is a constant, beta is the linewidth factor, and ?f? = (f(1) + f(2))/2. Different values of ?f?, s(0), and beta are considered to evaluate thoroughly the accuracy of the procedure to determine the unknown values of f(1) and f(2), the spectral linewidth, and the peak values of the spectral profiles. Our experiments show that, even for short observation times, the resonant frequencies of s(x) could be located with high accuracy over a wide range of ?f? and beta values. Signal-to-noise ratios as high as 50 are also gained for the recovered power spectra. The performance of the procedure is also analyzed with respect to another method that recovers the amplitude values of s(x) directly.

Solid State NMR Studies of the Aluminum Hydride Phases

NASA Technical Reports Server (NTRS)

Hwang, Son-Jong; Bowman, R. C., Jr.; Graetz, Jason; Reilly, J. J.

2006-01-01

Several solid state NMR techniques including magic-angle-spinning (MAS) and multiple-quantum (MQ) MAS experiments have been used to characterize various AlH3 samples. MAS-NMR spectra for the 1H and 27Al nuclei have been obtained on a variety of AlH3 samples that include the (beta)- and (gamma)- phases as well as the most stable (alpha)-phase. While the dominant components in these NMR spectra correspond to the aluminum hydride phases, other species were found that include Al metal, molecular hydrogen (H2), as well as peaks that can be assigned to Al-O species in different configurations. The occurrence and concentration of these extraneous components are dependent upon the initial AlH3 phase composition and preparation procedures. Both the (beta)-AlH3 and (gamma)-AlH3 phases were found to generate substantial amounts of Al metal when the materials were stored at room temperature while the (alpha)-phase materials do not exhibit these changes.

Thick target total bremsstrahlung spectra of lead compounds in the photon energy region 1-10keV by 90Sr beta particles.

PubMed

Sharma, Suhansar Jit; Singh, Tajinder; Singh, Doordarshi; Singh, Amrit; Dhaliwal, A S

2017-12-01

Total bremsstrahlung spectral photon distribution generated in thick targets of lead compounds Pb(CH 3 COO) 2 ·3H 2 O, Pb(NO 3 ) 2 and PbCl 2 by 90 Sr beta particles has been investigated theoretically and experimentally in the photon energy region 1-10keV. The experimental results are compared with the theoretical models describing ordinary bremsstrahlung and the theoretical model which includes polarization bremsstrahlung into ordinary bremsstrahlung, in stripped approximation. It is observed that the experimental results show better agreement with the model which describes bremsstrahlung in stripped approximation in the energy range 3-10keV. However, the results show positive deviation in the photon energy region of 1-3keV. Further, it has been found that there is a continuous decrease of polarization bremsstrahlung contribution into ordinary bremsstrahlung in the formation of total bremsstrahlung spectra with increase in photon energy. The suppression of polarization bremsstrahlung has been observed due to the presence of large fraction of low Z elements in the compounds. The results clearly indicate that polarization bremsstrahlung plays an important role in the formation of total bremsstrahlung spectra in compounds in the studied energy region. Copyright © 2017 Elsevier Ltd. All rights reserved.

Development of Metallic Magnetic Calorimeters for High Precision Measurements of Calorimetric Re-187 and Ho-163 Spectra

NASA Technical Reports Server (NTRS)

Ranitzsch, P. C.-O.; Porst, J.-P.; Kempf, S.; Pies, C.; Schafer, S.; Hengstler, D.; Fleischmann, A.; Enss, C.; Gastaldo, L.

2012-01-01

The measurement of calorimetric spectra following atomic weak decays, beta (b) and electron capture (EC), of nuclides having a very low Q-value, can provide an impressively high sensitivity to a non-vanishing neutrino mass. The achievable sensitivity in this kind of experiments is directly connected to the performance of the used detectors. In particular an energy resolution of a few eV and a pulse formation time well below 1 microsecond are required. Low temperature Metallic Magnetic Calorimeters (MMCs) for soft X-rays have already shown an energy resolution of 2.0 eV FWHM and a pulse rise-time of about 90 ns for fully micro-fabricated detectors. We present the use of MMCs for high precision measurements of calorimetric spectra following the beta-decay of Re-187 and the EC of Ho-163. We show results obtained with detectors optimized for Re-187 and for Ho-163 experiments respectively. While the detectors equipped with superconducting Re absorbers have not yet reached the aimed performance, a first detector prototype with a Au absorber having implanted Ho-163 ions already shows excellent results. An energy resolution of 12 eV FWHM and a rise time of 90 ns were measured.

A (1)H-NMR study on the effect of high pressures on beta-lactoglobulin.

PubMed

Belloque, J; López-Fandiño, R; Smith, G M

2000-09-01

1H NMR was used to study the effect of high pressure on changes in the structure of beta-lactoglobulin (beta-Lg), particularly the strongly bonded regions, the "core". beta-Lg was exposed to pressures ranging from 100 to 400 MPa at neutral pH. After depressurization and acidification to pH 2.0, (1)H NMR spectra were taken. Pressure-induced unfolding was studied by deuterium exchange. Refolding was also evaluated. Our results showed that the core was unaltered at 100 MPa but increased its conformational flexibility at >/=200 MPa. Even though the core was highly flexible at 400 MPa, its structure was found to be identical to the native structure after equilibration back to atmospheric pressure. It is suggested that pressure-induced aggregates are formed by beta-Lg molecules maintaining most of their structure, and the intermolecular -SS- bonds, formed by -SH/-SS- exchange reaction, are likely to involve C(66)-C(160) rather than C(106)-C(119). In addition, the beta-Lg variants A and B could be distinguished in a (1)H NMR spectrum from a solution made with the AB mixed variant, by the differences in chemical shifts of M(107) and C(106); structural implications are discussed. Under pressure, the core of beta-Lg A seemed to unfold faster than that of beta-LgB. The structural recovery of the core was full for both variants.

Electrophysiological Correlates of Long-Term Soto Zen Meditation

PubMed Central

Pasquini, Henrique Adam; Tanaka, Guaraci Ken; Basile, Luis Fernando Hindi; Velasques, Bruna; Lozano, Mirna Delposo

2015-01-01

This study aimed to verify the electrophysiological correlates of the changes in long-term regular meditators. We use modern techniques of high-resolution electroencephalography applied to slow potentials, power spectra, and potencies related to the events. To obtain encephalographic records, we use an assembly of 128 channels in 31 subjects (17 Soto Zen Buddhist meditators). The motivation of this study was to determine whether the induced beta power would present an increase in meditators as well as a decrease in induced theta/beta ratio in absolute and relative values. However, opposite to what we expected, no significant change was found in the beta frequency. In contrast, the main findings of the study were correlations between the frequency of weekly meditation practice and the increased theta induced relative power, increase of induced power ratio (ratio theta/beta), and increase of the ratio of induced relative powers (theta/beta ratio) during our task that featured an “adapted meditation,” suggesting that the meditative state of “mindfulness” is much more related to the permittivity of “distractions” by the meditators, with a deliberate reduction of attention. PMID:25632397

A comparative study of the thermoluminescent response to beta irradiation of CVD diamond and LiF dosimeters

NASA Astrophysics Data System (ADS)

Bogani, F.; Borchi, E.; Bruzzi, M.; Leroy, C.; Sciortino, S.

1997-02-01

The thermoluminescent (TL) response of Chemical Vapour Deposited (CVD) diamond films to beta irradiation has been investigated. A numerical curve-fitting procedure, calibrated by means of a set of LiF TLD100 experimental spectra, has been developed to deconvolute the complex structured TL glow curves. The values of the activation energy and of the frequency factor related to each of the TL peaks involved have been determined. The TL response of the CVD diamond films to beta irradiation has been compared with the TL response of a set of LiF TLD100 and TLD700 dosimeters. The results have been discussed and compared in view of an assessment of the efficiency of CVD diamond films in future applications as in vivo dosimeters.

Electromagnetic fluctuation spectra of collective oscillations in magnetized Maxwellian plasmas for parallel wave vectors

NASA Astrophysics Data System (ADS)

Vafin, S.; Schlickeiser, R.; Yoon, P. H.

2016-05-01

The general electromagnetic fluctuation theory for magnetized plasmas is used to calculate the steady-state wave number spectra and total electromagnetic field strength of low-frequency collective weakly damped eigenmodes with parallel wavevectors in a Maxwellian electron-proton plasma. These result from the equilibrium of spontaneous emission and collisionless damping, and they represent the minimum electromagnetic fluctuations guaranteed in quiet thermal space plasmas, including the interstellar and interplanetary medium. Depending on the plasma beta, the ratio of |δB |/B0 can be as high as 10-12 .

The observation of spectral variation indicative of porphyrin biomarkers in reflectance spectra of source rock - The application of remote sensing technology to petroleum geochemistry

NASA Technical Reports Server (NTRS)

Holden, Peter Newhall; Gaffey, Michael J.

1990-01-01

The spectral signature of porphyrin compounds, considered to be biomarkers of depositional environment and thermal maturity, have been identified in reflectance spectra of oil shales. The key bands identified, in order of intensity, are the Soret (0.40 microns), alpha (0.57 microns), and beta (0.53 microns) bands. The observed bands represent the composite spectral signature of all porphyrin compounds present in the sample and, therefore, change position and intensity in accordance with changes in porphyrin chemistry.

Ligand-Dependent Disorder of Loop Observed in Extended-Spectrum SHV-Type beta-Lactamase

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

J Sampson; W Ke; C Bethel

2011-12-31

Among Gram-negative bacteria, resistance to {beta}-lactams is mediated primarily by {beta}-lactamases (EC 3.2.6.5), periplasmic enzymes that inactivate {beta}-lactam antibiotics. Substitutions at critical amino acid positions in the class A {beta}-lactamase families result in enzymes that can hydrolyze extended-spectrum cephalosporins, thus demonstrating an 'extended-spectrum' {beta}-lactamase (ESBL) phenotype. Using SHV ESBLs with substitutions in the {Omega} loop (R164H and R164S) as target enzymes to understand this enhanced biochemical capability and to serve as a basis for novel {beta}-lactamase inhibitor development, we determined the spectra of activity and crystal structures of these variants. We also studied the inactivation of the R164H and R164Smore » mutants with tazobactam and SA2-13, a unique {beta}-lactamase inhibitor that undergoes a distinctive reaction chemistry in the active site. We noted that the reduced K{sub i} values for the R164H and R164S mutants with SA2-13 are comparable to those with tazobactam (submicromolar). The apo enzyme crystal structures of the R164H and R164S SHV variants revealed an ordered {Omega} loop architecture that became disordered when SA2-13 was bound. Important structural alterations that result from the binding of SA2-13 explain the enhanced susceptibility of these ESBL enzymes to this inhibitor and highlight ligand-dependent {Omega} loop flexibility as a mechanism for accommodating and hydrolyzing {beta}-lactam substrates.« less

First XMM-Newton Observations of a Cataclysmic Variable II: Spectral Studies of OY Car

NASA Technical Reports Server (NTRS)

Ramsay, Gavin; Cordova, France; Cottam, Jean; Mason, Keith; Much, Rudu; Osborne, Julian; Pandel, Dirk; Poole, Tracey; Wheatley, Peter

2000-01-01

We present XMM-Newton X-ray spectra of the disc accreting cataclysmic variable OY Car, which were obtained during the performance verification phase of the mission. These data were taken 4 days after a short outburst. In the EPIC spectra we find strong Iron K(beta) emission with weaker Iron K(alpha) emission together with Silicon and Sulphur lines. The spectra are best fitted with a three temperature plasma model with a partial covering absorber. Multiple temperature emission is confirmed by the emission lines seen in the RGS spectrum and the H/He like intensity ratio for Iron and Sulphur which imply temperatures of approx. 7keV and approx. 3keV respectively.

Quantitative EEG in Children and Adults With Attention Deficit Hyperactivity Disorder: Comparison of Absolute and Relative Power Spectra and Theta/Beta Ratio.

PubMed

Markovska-Simoska, Silvana; Pop-Jordanova, Nada

2017-01-01

In recent decades, resting state electroencephalographic (EEG) measures have been widely used to document underlying neurophysiological dysfunction in attention deficit hyperactivity disorder (ADHD). Although most EEG studies focus on children, there is a growing interest in adults with ADHD too. The aim of this study was to objectively assess and compare the absolute and relative EEG power as well as the theta/beta ratio in children and adults with ADHD. The evaluated sample comprised 30 male children and 30 male adults with ADHD diagnosed according to DSM-IV criteria. They were compared with 30 boys and 30 male adults matched by age. The mean age (±SD) of the children's group was 9 (±2.44) years and the adult group 35.8 (±8.65) years. EEG was recorded during an eyes-open condition. Spectral analysis of absolute (μV 2 ) and relative power (%) was carried out for 4 frequency bands: delta (2-4 Hz), theta (4-8 Hz), alpha (8-13 Hz), and beta (13-21 Hz). The findings obtained for ADHD children are increased absolute power of slow waves (theta and delta), whereas adults exhibited no differences compared with normal subjects. For the relative power spectra there were no differences between the ADHD and control groups. Across groups, the children showed greater relative power than the adults in the delta and theta bands, but for the higher frequency bands (alpha and beta) the adults showed more relative power than children. Only ADHD children showed greater theta/beta ratio compared to the normal group. Classification analysis showed that ADHD children could be differentiated from the control group by the absolute theta values and theta/beta ratio at Cz, but this was not the case with ADHD adults. The question that should be further explored is if these differences are mainly due to maturation processes or if there is a core difference in cortical arousal between ADHD children and adults. © EEG and Clinical Neuroscience Society (ECNS) 2016.

ANALYSIS OF OPTICAL Fe II EMISSION IN A SAMPLE OF ACTIVE GALACTIC NUCLEUS SPECTRA

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

Kovacevic, Jelena; Popovic, Luka C.; Dimitrijevic, Milan S., E-mail: jkovacevic@aob.bg.ac.r

We present a study of optical Fe II emission in 302 active galactic nuclei (AGNs) selected from the Sloan Digital Sky Survey. We group the strongest Fe II multiplets into three groups according to the lower term of the transition (b{sup 4} F, a{sup 6} S, and a{sup 4} G terms). These approximately correspond to the blue, central, and red parts, respectively, of the 'iron shelf' around H{beta}. We calculate an Fe II template that takes into account transitions into these three terms and an additional group of lines, based on a reconstruction of the spectrum of I Zw 1.more » This Fe II template gives a more precise fit of the Fe II lines in broad-line AGNs than other templates. We extract Fe II, H{alpha}, H{beta}, [O III], and [N II] emission parameters and investigate correlations between them. We find that Fe II lines probably originate in an intermediate line region. We note that the blue, red, and central parts of the iron shelf have different relative intensities in different objects. Their ratios depend on continuum luminosity, FWHM H{beta}, the velocity shift of Fe II, and the H{alpha}/H{beta} flux ratio. We examine the dependence of the well-known anti-correlation between the equivalent widths of Fe II and [O III] on continuum luminosity. We find that there is a Baldwin effect for [O III] but an inverse Baldwin effect for the Fe II emission. The [O III]/Fe II ratio thus decreases with L {sub {lambda}5100}. Since the ratio is a major component of the Boroson and Green Eigenvector 1 (EV1), this implies a connection between the Baldwin effect and EV1 and could be connected with AGN evolution. We find that spectra are different for H{beta} FWHMs greater and less than {approx}3000 km s{sup -1}, and that there are different correlation coefficients between the parameters.« less

Can neutrino mass be deduced from beta particle spectrum?

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

Semkow, T.M.

1993-12-31

With 17-keV neutrino faith being uncertain, it is important to examine the effects of detector resolution and response on the detection limits of massive neutrino. The authors use Fermi theory and generate by Monte Carlo up to 5-10{sup 9} {beta}{sup {minus}} decay events from {sup 35}S. The {beta}{sup {minus}} spectra are then resolved by {chi}{sup 2} minimization. We show that given high statistics and accurate knowledge of the response function it should be possible to detect neutrino mass with a proportional detector, particularly with the gas-scintillation proportional detector, in addition to semiconductor, in addition to semiconductor detectors. This paper presentsmore » a design of double-chamber Xe gas-scintillation proportional detector in which the backscattering effects are suppressed. However, even the slight uncertainties in the response functions as well as {approximately} 10{sup {minus}3} relative energy nonlinearities in the {beta}{sup {minus}} spectrum may create an artificial effect of neutrino mass.« less

ESR study of aqueous dispersions of beta-lactoglobulin and spin-labelled glyceryl monostearate.

PubMed

Van Gorkom, M; Van der Molen, M H; Korver, O

1975-05-05

From the ESR spectra of aqueous dispersions of synthetic glyceryl monostearate (spin labelled at C-12) a critical micelle concentration of 30 mumol/l at room temperature was obtained, which agrees with that deduced from surface tension measurements. At monoglyceride concentrations smaller or larger than the critical micelle concentration, the monomers show increased motional restriction with increasing molar ratio of beta-lactoglobulin to monoglyceride up to a value of 10, as determined from calculated rotational correlation times; A similar progressive interaction was deduced from spectral changes observed on equimolar dispersions of beta-lactoglobulin and monoglyceride on raising the temperature to 55 degrees C at which the protein and monoglyceride coprecipitate. The relevance of these finding for non-labelled monoglyceride dispersions is indicated by the similarity of the pH-dependent flocculation behaviour of labelled and non-labelled monoglycerides, both in the absence and presence of beta-lactoglobulin; In addition, proton magnetic resonance and mechanical stability measurements suggest that spin-labelled glyceryl monosterate behaves analogously to non-labelled glyceryl monooleate.

X-ray observations from RT-1 magnetospheric plasmas

NASA Astrophysics Data System (ADS)

Sugata, Tetsuya; Masaki Nishiura Collaboration; Zensho Yoshida Collaboration; Naoki Kenmochi Collaboration; Shotaro Katsura Collaboration; Kaori Nakamura Collaboration

2017-10-01

Planetary magnetospheres like Earth and Jupiter realize stable confinement of high beta plasma. The RT-1 device produces a laboratory magnetosphere by using a levitated superconducting coil for dipole magnetic fields and 8.2 GHz electromagnetic wave for plasma production (ne 1017m-3) and electron heating. In the recent experiments, the RT-1 device has achieved the local beta that exceeds 1. It is considered that the high energy component of electrons contributes to the beta value. Therefore, Si(Li) detectors measured the X-ray spectra from the peripheral plasmas in the range from a few keV to a few ten keV. The density of a few keV component and a few ten keV component are comparable and a few ten keV component dominates the majority of the high beta value that is operated up to 0.8. We found that 150 keV component of electrons exists near the outer of the levitated dipole magnet by using a CdTe detector.

Signal detection in power-law noise: effect of spectrum exponents.

PubMed

Burgess, Arthur E; Judy, Philip F

2007-12-01

Many natural backgrounds have approximately isotropic power spectra of the power-law form, P(f)=K/f(beta), where f is radial frequency. For natural scenes and mammograms, the values of the exponent, beta, range from 1.5 to 3.5. The ideal observer model predicts that for signals with certain properties and backgrounds that can be treated as random noise, a plot of log (contrast threshold) versus log (signal size) will be linear with slope, m, given by: m=(beta-2)/2. This plot is referred to as a contrast-detail (CD) diagram. It is interesting that this predicts a detection threshold that is independent of signal size for beta equal to 2. We present two-alternative forced-choice (2AFC) detection results for human and channelized model observers of a simple signal in filtered noise with exponents from 1.5 to 3.5. The CD diagram results are in good agreement with the prediction of this equation.

SPECTOMETER - BREMSSTRAHLUNG - GEMINI-TITAN (GT)-XII ANALYZER PROCESSOR EXPERIMENT MSC 7 (M409) - CAPE

NASA Image and Video Library

1966-10-01

S66-09382 (1 Oct. 1966) --- Gemini-12 Experiment MSC-7 Bremsstrahlung Spectrometer-Spectrometer Analyzer processor installed in cabin. Objective of experiment is to determine the gamma and beta flux and energy spectra induced inside the spacecraft by exterior electrons. Photo credit: NASA

13-C NMR Spectra of Styrene Derivatives: An Undergraduate Experiment Involving the Application of the Hammett Equation.

ERIC Educational Resources Information Center

Blunt, J. W.; Happer, D. A. R.

1979-01-01

In this experiment, the observation that, for meta- and para-substituted styrene derivatives, the magnitude of the C-13 shielding value for the beta-carbon is linearly related to sigma for the ring substituent is used to determine sigma. (BB)

Metabolism of boldenone in man: gas chromatographic/mass spectrometric identification of urinary excreted metabolites and determination of excretion rates.

PubMed

Schänzer, W; Donike, M

1992-01-01

Urinary metabolites of boldenone (androsta-1,4-dien-17 beta-ol-3-one) following oral administration of boldenone (doses from 11 to 80 mg) to man were isolated from urine via XAD-2 adsorption and enzymatic hydrolysis with beta-glucuronidase from Escherichia coli. The isolated metabolites were derivatized with N-methyl-N-trimethylsilyltri- fluoroacetamide/trimethyliodosilane and analysed by gas chromatography/mass spectrometry with electron impact (EI) ionization at 70 eV. Boldenone (I) and four metabolites were identified after hydrolysis of the urine with beta-glucuronidase: 5 beta-androst-1-en-17 beta-ol-3-one (II), 5 beta-androst-1-ene-3 alpha, 17 beta-diol (III), 5 beta-androst-1-en-3 alpha-ol-17-one (IV) and 5 beta-androst-1-en-6 beta-ol-3,17-dione (V). Five further metabolites in low concentration were identified without enzymatic hydrolysis after treatment of the urine with potassium carbonate: 5 beta-androst-1-ene-3,17-dione (VI), 5 alpha-androst-1-ene-3,17-dione (VII), androsta-1,4-diene-3,17-dione (VIII), androsta-1,4-diene-6 beta,17 beta-diol-3-one (IX) and androsta-1,4-dien-6 beta-ol-3,17-dione (X). The identification of the metabolites is based on the gas chromatography retention index, high-performance liquid chromatography retention, EI mass spectrum, chemical reactions of the isolated metabolites, and synthesis of metabolites II, III, IV, VI and VII. The EI mass spectra of the bis-trimethylsilyl derivatives of boldenone and its metabolites display all intense molecular ions, M-15 ions and fragment ions originating from cleavage of the B-ring. The excreted metabolites can be separated in basic extractable labile conjugates and in stable conjugates. More than 95% of metabolites are excreted as stable conjugates.

Deconvolution of the relaxations associated with local and segmental motions in poly(methacrylate)s containing dichlorinated benzyl moieties in the ester residue.

PubMed

Dominguez-Espinosa, Gustavo; Díaz-Calleja, Ricardo; Riande, Evaristo; Gargallo, Ligia; Radic, Deodato

2005-09-15

The relaxation behavior of poly(2,3-dichlorobenzyl methacrylate) is studied by broadband dielectric spectroscopy in the frequency range of 10(-1)-10(9) Hz and temperature interval of 303-423 K. The isotherms representing the dielectric loss of the glassy polymer in the frequency domain present a single absorption, called beta process. At temperatures close to Tg, the dynamical alpha relaxation already overlaps with the beta process, the degree of overlapping increasing with temperature. The deconvolution of the alpha and beta relaxations is facilitated using the retardation spectra calculated from the isotherms utilizing linear programming regularization parameter techniques. The temperature dependence of the beta relaxation presents a crossover associated with a change in activation energy of the local processes. The distance between the alpha and beta peaks, expressed as log(fmax;beta/fmax;alpha) where fmax is the frequency at the peak maximum, follows Arrhenius behavior in the temperature range of 310-384 K. Above 384 K, the distance between the peaks remains nearly constant and, as a result, the a onset temperature exhibited for many polymers is not reached in this system. The fraction of relaxation carried out through the alpha process, without beta assistance, is larger than 60% in the temperature range of 310-384 K where the so-called Williams ansatz holds.

Gallium Arsenide detectors for X-ray and electron (beta particle) spectroscopy

NASA Astrophysics Data System (ADS)

Lioliou, G.; Barnett, A. M.

2016-11-01

Results characterizing GaAs p+-i-n+ mesa photodiodes with a 10 μm i layer for their spectral response under illumination of X-rays and beta particles are presented. A total of 22 devices, having diameters of 200 μm and 400 μm, were electrically characterized at room temperature. All devices showed comparable characteristics with a measured leakage current ranging from 4 nA/cm2 to 67 nA/cm2 at an internal electric field of 50 kV/cm. Their unintentionally doped i layers were found to be almost fully depleted at 0 V due to their low doping density. 55Fe X-ray spectra were obtained using one 200 μm diameter device and one 400 μm diameter device. The best energy resolution (FWHM at 5.9 keV) achieved was 625 eV using the 200 μm and 740 eV using the 400 μm diameter device, respectively. Noise analysis showed that the limiting factor for the energy resolution of the system was the dielectric noise; if this noise was eliminated by better design of the front end of the readout electronics, the achievable resolution would be 250 eV. 63Ni beta particle spectra obtained using the 200 μm diameter device showed the potential utility of these detectors for electron and beta particle detection. The development of semiconductor electron spectrometers is important particularly for space plasma physics; such devices may find use in future space missions to study the plasma environment of Jupiter and Europa and the predicted electron impact excitation of water vapor plumes from Europa hypothesized as a result of recent Hubble Space Telescope (HST) UV observations.

Quantitative basis for component factors of gas flow proportional counting efficiencies

NASA Astrophysics Data System (ADS)

Nichols, Michael C.

This dissertation investigates the counting efficiency calibration of a gas flow proportional counter with beta-particle emitters in order to (1) determine by measurements and simulation the values of the component factors of beta-particle counting efficiency for a proportional counter, (2) compare the simulation results and measured counting efficiencies, and (3) determine the uncertainty of the simulation and measurements. Monte Carlo simulation results by the MCNP5 code were compared with measured counting efficiencies as a function of sample thickness for 14C, 89Sr, 90Sr, and 90Y. The Monte Carlo model simulated strontium carbonate with areal thicknesses from 0.1 to 35 mg cm-2. The samples were precipitated as strontium carbonate with areal thicknesses from 3 to 33 mg cm-2 , mounted on membrane filters, and counted on a low background gas flow proportional counter. The estimated fractional standard deviation was 2--4% (except 6% for 14C) for efficiency measurements of the radionuclides. The Monte Carlo simulations have uncertainties estimated to be 5 to 6 percent for carbon-14 and 2.4 percent for strontium-89, strontium-90, and yttrium-90. The curves of simulated counting efficiency vs. sample areal thickness agreed within 3% of the curves of best fit drawn through the 25--49 measured points for each of the four radionuclides. Contributions from this research include development of uncertainty budgets for the analytical processes; evaluation of alternative methods for determining chemical yield critical to the measurement process; correcting a bias found in the MCNP normalization of beta spectra histogram; clarifying the interpretation of the commonly used ICRU beta-particle spectra for use by MCNP; and evaluation of instrument parameters as applied to the simulation model to obtain estimates of the counting efficiency from simulated pulse height tallies.

Correlation of EEG with neuropsychological status in children with epilepsy.

PubMed

Hsu, David A; Rayer, Katherine; Jackson, Daren C; Stafstrom, Carl E; Hsu, Murielle; Ferrazzano, Peter A; Dabbs, Kevin; Worrell, Gregory A; Jones, Jana E; Hermann, Bruce P

2016-02-01

To determine correlations of the EEG frequency spectrum with neuropsychological status in children with idiopathic epilepsy. Forty-six children ages 8-18 years old with idiopathic epilepsy were retrospectively identified and analyzed for correlations between EEG spectra and neuropsychological status using multivariate linear regression. In addition, the theta/beta ratio, which has been suggested as a clinically useful EEG marker of attention-deficit hyperactivity disorder (ADHD), and an EEG spike count were calculated for each subject. Neuropsychological status was highly correlated with posterior alpha (8-15 Hz) EEG activity in a complex way, with both positive and negative correlations at lower and higher alpha frequency sub-bands for each cognitive task in a pattern that depends on the specific cognitive task. In addition, the theta/beta ratio was a specific but insensitive indicator of ADHD status in children with epilepsy; most children both with and without epilepsy have normal theta/beta ratios. The spike count showed no correlations with neuropsychological status. (1) The alpha rhythm may have at least two sub-bands which serve different purposes. (2) The theta/beta ratio is not a sensitive indicator of ADHD status in children with epilepsy. (3) The EEG frequency spectrum correlates more robustly with neuropsychological status than spike count analysis in children with idiopathic epilepsy. (1) The role of posterior alpha rhythms in cognition is complex and can be overlooked if EEG spectral resolution is too coarse or if neuropsychological status is assessed too narrowly. (2) ADHD in children with idiopathic epilepsy may involve different mechanisms from those in children without epilepsy. (3) Reliable correlations with neuropsychological status require longer EEG samples when using spike count analysis than when using frequency spectra. Copyright © 2015 International Federation of Clinical Neurophysiology. Published by Elsevier Ireland Ltd. All rights reserved.

Fully relativistic form factor for Thomson scattering.

PubMed

Palastro, J P; Ross, J S; Pollock, B; Divol, L; Froula, D H; Glenzer, S H

2010-03-01

We derive a fully relativistic form factor for Thomson scattering in unmagnetized plasmas valid to all orders in the normalized electron velocity, beta[over ]=v[over ]/c. The form factor is compared to a previously derived expression where the lowest order electron velocity, beta[over], corrections are included [J. Sheffield, (Academic Press, New York, 1975)]. The beta[over ] expansion approach is sufficient for electrostatic waves with small phase velocities such as ion-acoustic waves, but for electron-plasma waves the phase velocities can be near luminal. At high phase velocities, the electron motion acquires relativistic corrections including effective electron mass, relative motion of the electrons and electromagnetic wave, and polarization rotation. These relativistic corrections alter the scattered emission of thermal plasma waves, which manifest as changes in both the peak power and width of the observed Thomson-scattered spectra.

Moisture induced polymorphic transition of mannitol and its morphological transformation.

PubMed

Yoshinari, Tomohiro; Forbes, Robert T; York, Peter; Kawashima, Yoshiaki

2002-10-24

The effects of moisture on the polymorphic transition of crystalline mannitol were investigated. Mannitol has three polymorphic forms, and was classified as alpha, beta, and delta form, respectively, by Walter-Lévy (C.R. Acad. Sc. Paris Ser. C (1968) 267, 1779). The water uptake of delta form crystalline was greater than that of the beta form when each crystalline form was stored at 97%RH (25 degrees C). The different powder X-ray diffraction patterns obtained before and after humidification confirmed that a moisture induced polymorphic transition from the delta to beta form had occurred. Morphological changes were also observed with an increase in the specific surface area of the delta sample from 0.4 to 2.3 m(2)/g being found on exposure to humidity. Thus it was suggested that the observed higher hygroscopicity of the newly formed beta form arose from the gradual increase in the surface area with the polymorphic transition from the delta to beta form. When considering the mechanism of this polymorphic transition, the results from molecular modelling, cross-polarisation/magic angle spinning (CP/MAS) solid-state NMR spectra and scanning electron-micrographs suggest that water molecules act as a molecular loosener to facilitate conversion from delta to the beta form as a result of multi-nucleation. Copyright 2002 Elsevier Science B.V.

Three-dimensional kinetic simulations of whistler turbulence in solar wind on parallel supercomputers

NASA Astrophysics Data System (ADS)

Chang, Ouliang

The objective of this dissertation is to study the physics of whistler turbulence evolution and its role in energy transport and dissipation in the solar wind plasmas through computational and theoretical investigations. This dissertation presents the first fully three-dimensional (3D) particle-in-cell (PIC) simulations of whistler turbulence forward cascade in a homogeneous, collisionless plasma with a uniform background magnetic field B o, and the first 3D PIC simulation of whistler turbulence with both forward and inverse cascades. Such computationally demanding research is made possible through the use of massively parallel, high performance electromagnetic PIC simulations on state-of-the-art supercomputers. Simulations are carried out to study characteristic properties of whistler turbulence under variable solar wind fluctuation amplitude (epsilon e) and electron beta (betae), relative contributions to energy dissipation and electron heating in whistler turbulence from the quasilinear scenario and the intermittency scenario, and whistler turbulence preferential cascading direction and wavevector anisotropy. The 3D simulations of whistler turbulence exhibit a forward cascade of fluctuations into broadband, anisotropic, turbulent spectrum at shorter wavelengths with wavevectors preferentially quasi-perpendicular to B o. The overall electron heating yields T ∥ > T⊥ for all epsilone and betae values, indicating the primary linear wave-particle interaction is Landau damping. But linear wave-particle interactions play a minor role in shaping the wavevector spectrum, whereas nonlinear wave-wave interactions are overall stronger and faster processes, and ultimately determine the wavevector anisotropy. Simulated magnetic energy spectra as function of wavenumber show a spectral break to steeper slopes, which scales as k⊥lambda e ≃ 1 independent of betae values, where lambdae is electron inertial length, qualitatively similar to solar wind observations. Specific spectral indices from simulated wavevector energy spectra do not match the frequency spectral indices from observations due to the inapplicability of Taylor's hypothesis. In contrast, the direct comparison of simulated frequency energy spectra and solar wind observations shows a closer similarity. Electron density fluctuations power spectra also exhibit a close similarity to solar wind observations and MHD predications, both qualitatively and quantitatively. Linear damping represents an intermediate fraction of the total dissipation of whistler turbulence over a wide range of betae and epsilone. The relative importance of linear damping by comparison to nonlinear dissipation increases with increasing beta e but decreases with increasing epsilone. Correlation coefficient calculations imply that the nonlinear dissipation processes in our simulation are primarily associated with dissipation in regions of intermittent current sheet structures. The simulation results suggest that whistler fluctuations could be the substantial constituent of solar wind turbulence at higher frequencies and short wavelengths, and support the magnetosonic-whistler interpretation of the quasilinear scenario. An even larger scale 3D whistler turbulence simulation exhibits both a forward cascade to shorter wavelengths with wavevectors preferentially k⊥ > k∥, and an inverse cascade to longer wavelengths with wavevectors k ≳ k⊥. The inverse cascade process is primarily driven by the nonlinear wave-wave interaction. It is shown that the energy inverse cascade rate is similar to the energy forward cascade rate at early times although the overall energy in the two cascades is very different. The presence of inverse cascade process does not affect qualitative conclusions established from the whistler turbulence forward cascade simulations.

Inhibitors of sterol synthesis. Synthesis and spectral properties of 3 beta-hydroxy-5 alpha-cholestan-15-one and its 17 beta-epimer and their effects on 3-hydroxy-3-methylglutaryl coenzyme A reductase activity.

PubMed

Siddiqui, A U; Wilson, W K; Parish, E J; Gerst, N; Pinkerton, F D; Schroepfer, G J

1994-10-20

3 beta-Hydroxy-5 alpha-cholestan-15-one (2a) and its 14 beta-epimer 2b were prepared from 3 beta-acetoxy-5 alpha-cholest-8(14)-ene (3). Hydroboration of 3 at 45-50 degrees C gave a mixture of 5 alpha,14 alpha-cholestane-3 beta,15 alpha-diol and 5 alpha,14 beta-cholestane-3 beta,15 beta-diol, which were separated on silica gel as their 3 beta-tert-butyldimethylsilyl ethers 5a and 5b. Oxidation of 5a with pyridinium chlorochromate, followed by desilylation with tetrabutylammonium fluoride gave 2a. Analogous transformations of 5b gave 2b contaminated with 2a. Desilylation of 5b followed by oxidation with pyridinium chlorochromate resulted in a mixture composed mainly of 5 alpha,14 beta-cholestane-3,15-dione and 2b. Successive chromatographic separations on silica gel and reversed phase media gave 2b of high purity. Compound 2a was also prepared by lithium-ammonia reduction of 3 beta-hydroxy-5 alpha-cholest-8(14)-en-15-one (96% yield) and by selective reduction of 5 alpha-cholestane-3,15-dione with lithium tri-tert-butoxyaluminum hydride (90% yield). Isomers 2a and 2b were readily epimerized under acidic or basic conditions or under conditions used for gas chromatographic analysis. The purities of 2a and 2b were measured from nuclear magnetic resonance (NMR) spectra; chromatographic methods gave less reliable estimates of purity. NMR data also showed that ring C of the 14 beta sterols is predominantly in a chair conformation. The effects of 2a and 2b on the levels of 3-hydroxy-3-methylglutaryl coenzyme A reductase have been studied in Chinese hamster ovary cells.

Substituent Effects on Keto-Enol Equilibria Using NMR Spectroscopy

ERIC Educational Resources Information Center

Manbeck, Kimberly A.; Boaz, Nicholas C.; Bair, Nathaniel C.; Sanders, Allix M. S.; Marsh, Anderson L.

2011-01-01

In this extension to a classic physical chemistry experiment, students record the proton nuclear magnetic resonance spectra of the [beta]-diketones 2,4-pentanedione, 3-methyl-2,4-pentanedione, and 3-chloro-2,4-pentanedione to investigate the effect of substituents on keto-enol tautomerization equilibria. From the integrated intensities of keto and…

Density Functional Study of the Infrared Spectrum of Glucose and Glucose Monohydrates in the OH Stretch Region

USDA-ARS?s Scientific Manuscript database

Density functional theory (DFT) has been used to calculate the structures and infrared spectra of glucose and glucose monohydrates. Both the alpha and beta anomers were studied, with all possible combinations of hydroxymethyl rotamer (gg, gt, or tg) and hydroxyl orientation (clockwise or counter-cl...

Principal component similarity analysis of Raman spectra to study the effects of pH, heating, and kappa-carrageenan on whey protein structure.

PubMed

Alizadeh-Pasdar, Nooshin; Nakai, Shuryo; Li-Chan, Eunice C Y

2002-10-09

Raman spectroscopy was used to elucidate structural changes of beta-lactoglobulin (BLG), whey protein isolate (WPI), and bovine serum albumin (BSA), at 15% concentration, as a function of pH (5.0, 7.0, and 9.0), heating (80 degrees C, 30 min), and presence of 0.24% kappa-carrageenan. Three data-processing techniques were used to assist in identifying significant changes in Raman spectral data. Analysis of variance showed that of 12 characteristics examined in the Raman spectra, only a few were significantly affected by pH, heating, kappa-carrageenan, and their interactions. These included amide I (1658 cm(-1)) for WPI and BLG, alpha-helix for BLG and BSA, beta-sheet for BSA, CH stretching (2880 cm(-1)) for BLG and BSA, and CH stretching (2930 cm(-1)) for BSA. Principal component analysis reduced dimensionality of the characteristics. Heating and its interaction with kappa-carrageenan were identified as the most influential in overall structure of the whey proteins, using principal component similarity analysis.

A study of mass loss from the mid-ultraviolet spectrum of Alpha Cygni /A2 Ia/, Beta Orionis /B8 Ia/, and Eta Leonis /A0 Ib/

NASA Technical Reports Server (NTRS)

Lamers, H. J. G. L. M.; Stalio, R.; Kondo, Y.

1978-01-01

Results are presented for a study of mass loss from A and late-B supergiants based on high-resolution mid-UV spectra obtained with the echelle spectrograph of the Balloon-borne Ultraviolet Stellar Spectrometer. Spectra of Alpha Cyg, Beta Ori, Eta Leo, and Alpha Lyr are compared in selected wavelength regions; particular attention is given to previous observations of each star, the Mg II and Fe II resonance lines, lines due to other ions, and evidence for mass ejection. The results indicate that mass loss from late-B and A supergiants is variable, that a considerable fraction of envelope material is ejected in 'puffs', and that the puffs may be due to photospheric instabilities. A mass-loss rate of about 1 hundred-millionth of a solar mass per year is derived for Alpha Cyg and shown to be two orders of magnitude smaller than the value determined from the observed IR excess. This discrepancy is attributed to excess ionization in the envelope.

Optical and UV spectroscopy of the peculiar RS CVn system RT Lacertae

NASA Technical Reports Server (NTRS)

Huenemoerder, D. P.; Barden, S. C.

1986-01-01

H-alpha and H-beta spectra of the peculiar double-lined RS CVn binary RT Lacertae have been obtained using the IUE, together with a ground-based coude-feed telescope at KPNO. The ground-based spectra show an asymmetry related to the orbital phase in the H-alpha profile. H-beta profiles showed excess emission in one hemisphere and excess absorption in the other, with a broad Gaussian emission component superposed on the excess H-alpha line. A radial velocity curve was derived to estimate the mass ratio and geometry of the system. It is shown that the component of RT Lac fills 80-90 percent of the equilibrium Roche surface. Low-resolution ultraviolet data show that the supposed cooler component is bluer than its companion, suggesting evidence of a scattering shell or a cloud produced by the splash of a gas stream. The phase behavior of the low resolution ultraviolet data support the conclusion that RT Lac is a mass transfer system and that mass transfer is the primary cause of its activity.

Self-absorption characteristics of measured laser-induced plasma line shapes

NASA Astrophysics Data System (ADS)

Parigger, C. G.; Surmick, D. M.; Gautam, G.

2017-02-01

The determination of electron density and temperature is reported from line-of-sight measurements of laser-induced plasma. Experiments are conducted in standard ambient temperature and pressure air and in a cell containing ultra-high-pure hydrogen slightly above atmospheric pressure. Spectra of the hydrogen Balmer series lines can be measured in laboratory air due to residual moisture following optical breakdown generated with 13 to 14 nanosecond, pulsed Nd:YAG laser radiation. Comparisons with spectra obtained in hydrogen gas yields Abel-inverted line shape appearances that indicate occurrence of self-absorption. The electron density and temperature distributions along the line of sight show near-spherical rings, expanding at or near the speed of sound in the hydrogen gas experiments. The temperatures in the hydrogen studies are obtained using Balmer series alpha, beta, gamma profiles. Over and above the application of empirical formulae to derive the electron density from hydrogen alpha width and shift, and from hydrogen beta width and peak-separation, so-called escape factors and the use of a doubling mirror are discussed.

Microwave dielectric measurements of erythrocyte suspensions.

PubMed Central

Bao, J Z; Davis, C C; Swicord, M L

1994-01-01

Complex dielectric constants of human erythrocyte suspensions over a frequency range from 45 MHz to 26.5 GHz and a temperature range from 5 to 40 degrees C have been determined with the open-ended coaxial probe technique using an automated vector network analyzer (HP 8510). The spectra show two separate major dispersions (beta and gamma) and a much smaller dispersion between them. The two major dispersions are analyzed with a dispersion equation containing two Cole-Cole functions by means of a complex nonlinear least squares technique. The parameters of the equation at different temperatures have been determined. The low frequency behavior of the spectra suggests that the dielectric constant of the cell membrane increases when the temperature is above 35 degrees C. The real part of the dielectric constant at approximately 3.4 GHz remains almost constant when the temperature changes. The dispersion shifts with temperature in the manner of a thermally activated process, and the thermal activation enthalpies for the beta- and gamma-dispersions are 9.87 +/- 0.42 kcal/mol and 4.80 +/- 0.06 kcal/mol, respectively. PMID:8075351

[Peculiarities of secondary structure of serum albumin of some representatives of the animal kingdom].

PubMed

Pekhymenko, G V; Kuchmerovskaia, T M

2011-01-01

Methods of infrared (IR) spectroscopy and circular dichroism (CD) are suitable techniques for detection of proteins structural changes. These methods were used for determinating peculiarities of the secondary structure of serum albumins in some representatives of two classes of reptiles: Horsfield's tortoise (Testudo horsfieldi), water snake (Natrix tessellata) and grass snake (Natrix natrix) and birds: domestic goose (Anser anser), domestic chicken (Gallus domesticus), domestic duck (Anas platyrhyncha) and dove colored (Columba livia). An analysis of IR spectra and spectra obtained by the method of CD of serum albumins of both classes representatives revealed that beta-folding structure and alpha-helical sections that form the alpha-conformation play an important role in conformational structure formation of polypeptide chain and also disordered sites of molecules of these proteins. It was observed that certain redistribution depending on animals species exists, in the formation of secondary structure of serum albumins of the investigated representatives of reptiles and birds classes between the content of beta-folding structure, alpha-helical sections and disordered sites in molecules of these proteins.

Solid-state and solution /sup 13/C NMR in the conformational analysis of methadone-hydrochloride and related narcotic analgesics

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

Sumner, S.C.J.

1986-01-01

Solid state and solution /sup 13/C NMR have been used to study the conformations of the racemic mixtures and single enantiomers of methadone hydrochloride, alpha and beta methadol hydrochloride, and alpha and beta acetylmethadol hydrochloride. The NMR spectra acquired for the compounds as solids, and in polar and nonpolar solvents are compared, in order to determine the conformation of the molecules in solution. To determine the reliability of assigning solution conformations by comparing solution and solid state chemical shift data, three bond coupling constants measured in solution are compared with those calculated from X-ray data. The conformations of the racemicmore » mixture and plus enantiomer of methadone hydrochloride have been shown to be very similar in the solid state, where minor differences in conformation can be seen by comparing NMR spectra obtained for the solids. Also shown is that the molecules of methadone hydrochloride have conformations in polar and in nonpolar solvents which are very similar to the conformation of the molecules in the solid state.« less

Intermediate Nuclear Structure for 2v 2{beta} Decay of {sup 48}Ca Studied by (p, n) and (n, p) Reactions at 300 MeV

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

Sakai, H.; Yako, K.

2009-08-26

Angular distributions of the double differential cross sections for the {sup 48}Ca(p,n) and the {sup 48}Ti(n,p) reactions were measured at 300 MeV. A multipole decomposition technique was applied to the spectra to extract the Gamow-Teller (GT) transition strengths. In the (n, p) spectrum beyond 8 MeV excitation energy extra B(GT{sup +}) strengths which are not predicted by the shell model calculation. This extra B(GT{sup +}) strengths significantly contribute to the nuclear matrix element of the 2v2{beta}-decay.

Alzheimer's disease: neuritic plaques and neurofibrillary tangles in human brain identified by FTIR spectroscopy

NASA Astrophysics Data System (ADS)

Choo, Lin-P'ing; Jackson, Michael; Halliday, William C.; Mantsch, Henry H.

1994-01-01

The abnormal abundance of (beta) -amyloid plaques and neurofibrillary tangles are the hallmark of Alzheimer's disease (AD). Human central nervous system (CNS) grey matter was probed for characteristics arising from these pathological features. In AD but not normal grey matter, an IR band at 1615 cm-1 is seen, characteristic of a protein in an aggregated state. We speculate that this band arises from (beta) A4-amyloid protein. AD, and 18q- grey matter spectra show increased intensity of phosphate bands in accordance with known hyperphosphorylation of proteins found in neurofibrillary tangles. These spectral features may be useful in the diagnosis of AD.

Quantification of irradiation defects in beta-silicon carbide using Raman spectroscopy

DOE PAGES

Koyanagi, T.; Lance, M. J.; Katoh, Y.

2016-08-11

Raman spectra from polycrystalline beta-silicon carbide (SiC) were collected following neutron irradiation at 380–1180 °C to 0.011–1.87 displacement per atom. The longitudinal optical (LO) peak shifted to a lower frequency and broadened as a result of the irradiation. The changes observed in the LO phonon line shape and position in neutron-irradiated SiC are explained by a combination of changes in the lattice constant and Young's modulus, and the phonon confinement effect. The phonon confinement model reasonably estimates the defect-defect distance in the irradiated SiC, which is consistent with results from previous experimental studies and simulations.

A study of coronal X-ray emission from short-period Algol binaries

NASA Technical Reports Server (NTRS)

Singh, K. P.; Drake, S. A.; White, N. E.

1995-01-01

A study of X-ray emission from five short-period Algol-type binaries based on observations with Advanced Satellite for Cosmology and Astrophysics (ASCA) and ROSAT is presented. We have observed RZ Cas with both satellites, and beta Per, U Cep, delta Lib, and TW Dra with ROSAT. Significant intensity variations are seen in the X-ray emission from RZ Cas, U Cep, TW Dra, and delta Lib. These variations seem unrelated to the eclipsing behavior of these systems and are probably due to either rotational modulation of compact active regions on the surfaces of the chromospherically active secondary components or to flaring activity in the systems. The spectra of all but one of the systems require the presence of at least two discrete plasma components with different temperatures (0.6 - 0.7 keV, and approximately 2 keV) and the abundances of the medium-Z elements 20% - 50% of the solar photospheric values. The high resolving power and signal-to-noise ratio of the ASCA spectra allow us to individually constrain the coronal abundances of O, Ne, Mg, Si, S, and Fe in RZ Cas. We demonstrate that, if we use the elemental abundances and temperatures obtained from the analysis of their ASCA spectra as (fixed) inputs, to fit the ROSAT PSPC spectra well requires the presence of a third component (kT approximately 0.2 - 0.3 keV) in RZ Cas and beta Per. A continuous emission measure model of the power-law type (EM(T) variesas (T/T(sub max)(sup alpha)) generally gives a poor fit to the ASCA and ROSAT data on most sources. Circumstellar or circumbinary absorbing matter seems to be present in some of these systems, as indicated by the variable total column density needed to fit their X-ray spectra.

Sol-gel coated polydimethylsiloxane/beta-cyclodextrin as novel stationary phase for stir bar sorptive extraction and its application to analysis of estrogens and bisphenol A.

PubMed

Hu, Yuling; Zheng, Yanjie; Zhu, Fei; Li, Gongke

2007-04-27

A sol-gel technique was used for the preparation of a stir bar coated with a composite composed of polydimethysiloxane and beta-cyclodextrin (PDMS/beta-CD). The sol-gel mechanism during coating procedure was discussed and successful binding of beta-CD to the sol-gel network was confirmed by the IR spectra. Scanning electron micrographs of the stir bars revealed a homogeneous surface with a film thickness of 30-150 microm attributing to different coating times. Good thermal stability and solvent-resistance of the stir bar were found thanks to chemical binding formed between the stationary phase and the glass substrate. The PDMS/beta-CD coated stir bar was proved to have better selectivity to polar compounds compared to the PDMS coated stir bar, and higher extraction capacity compared to the corresponding PDMS/beta-CD coated fiber. Methods for the determinations of estrogens in environmental water, bisphenol A in drinking water and in leachate of one-off dishware by the PDMS/beta-CD coated stir bar coupled with high-performance liquid chromatography (HPLC) were developed. The limits of detection were within the range of 0.04-0.11 microg l(-1) for estrogens using UV detection and 8 ngl(-1) for bisphenol A using fluorescence detection. Reproducibility with RSD less than 9.7% for extractions of real water samples at microg l(-1) or ngl(-1) level was obtained.

Everything you ever wanted to know about the ultraviolet spectra of star-forming galaxies but were afraid to ask

NASA Technical Reports Server (NTRS)

Kinney, A. L.; Bohlin, R.; Calzetti, D.; Panagia, N.; Wyse, R.

1993-01-01

We present ultraviolet spectra of 143 star-forming galaxies of different morphological types and activity classes including S0, Sa, Sb, Sc, Sd, irregular, starburst, blue compact, blue compact dwarf, Liner, and Seyfert 2 galaxies. These IUE spectra cover the wavelength range from 1200 to 3200 A and are taken in a large aperture (10 x 20 inch). The ultraviolet spectral energy distributions are shown for a subset of the galaxies, ordered by spectral index, and separated by type for normal galaxies, Liners, starburst galaxies, blue compact (BCG) and blue compact dwarf (BCDG) galaxies, and Seyfert 2 galaxies. The ultraviolet spectra of Liners are, for the most part, indistinguishable from the spectra of normal galaxies. Starburst galaxies have a large range of ultraviolet slope, from blue to red. The star-forming galaxies which are the bluest in the optical (BCG and BCDG), also have the 'bluest' average ultraviolet slope of beta = -1.75 +/- 0.63. Seyfert 2 galaxies are the only galaxies in the sample that consistently have detectable UV emission lines.

Structural studies of bean pod mottle virus, capsid, and RNA in crystal and solution states by laser Raman spectroscopy

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

Li, Tiansheng; Thomas, G.J. Jr.; Chen, Zhongguo

Structures of protein and RNA components of bean pod mottle virus (BPMV) have been investigated by use of laser Raman spectroscopy. Raman spectra were collected from both aqueous solutions and single crystals of BPMV capsids (top component) and virions (middle and bottom components, which package, respectively, small and large RNA molecules). Analysis of the data permits the assignment of conformation-sensitive Raman bands to viral protein and RNA constituents and observation of structural similarities and differences between solution and crystalline states of BPMV components. The Raman results show that the protein subunits of the empty capsid contain between 45% and 55%more » {beta}-strand and {beta}-turn secondary structure, in agreement with the recently determined X-ray crystal structure, and that this total {beta}-strand content undergoes a small increase with packaging of RNA. A comparison of Raman spectra of crystal and solution states of the BPMV middle component reveals only minor structural differences between the two, and these are restricted almost exclusively to Raman bands of RNA in the region of assigned phosphodiester conformation markers. Although in both the crystal and solution only C3{prime} endo/anti nucleosides are detected, the crystal exhibits a weaker 813-cm{sup {minus}1} band and strong 870-cm{sup {minus}1} band, which suggests that {approximately}8% of the nucleotides have O-P-O torsions configured differently in the crystal from that in the solution.« less

The gaseous component of the disk around Beta Pictoris

NASA Technical Reports Server (NTRS)

Hobbs, L. M.; Vidal-Madjar, A.; Ferlet, R.; Albert, C. E.; Gry, C.

1985-01-01

Optical spectra of alpha Lyr, alpha PsA, and beta Pic have been obtained at a velocity resolution of 3 km/s. No circumstellar absorption lines of Ca II or Na I are detected toward alpha Lyr or alpha PsA at sensitive limits. In the favorable case of beta Pic, where the circumstellar disk imaged by Smith and Terrile (1984) is seen nearly edge-on, a strong, narrow, circumstellar Ca II K absorption line previously reported by Slettebak (1982) and weaker, still narrower circumstellar Na I D lines are detected. Negative results of high sensitivity also are obtained for the Ca I 4226 A and CH(+) 4232 A lines, along with upper limits on the Zn II 2026, 2062 A doublet from archival IUE spectra. Under assumptions which agree with other well-established observations of the gaseous abundances of calcium and zinc, the total gaseous column density of hydrogen along a radius of the circumstellar disk is between 10 to the 18th and 4 x 10 to the 20th/sq cm. Within the boundaries of the dust disk detected by Smith and Terrile (1984) the total gaseous mass then is less than about 2, or less than 1 percent of the mass of the planetary system. A simplified model of the density distribution in the gaseous disk yields a characteristic total density n(H) of about 100,000/cu cm, which exceeds that of all interplanetary gas at earth's position by a factor of about 10,000.

Three exopolysaccharides of the beta-(1-->6)-D-glucan type and a beta-(1-->3;1-->6)-D-glucan produced by strains of Botryosphaeria rhodina isolated from rotting tropical fruit.

PubMed

Vasconcelos, Ana Flora D; Monteiro, Nilson K; Dekker, Robert F H; Barbosa, Aneli M; Carbonero, Elaine R; Silveira, Joana L M; Sassaki, Guilherme L; da Silva, Roberto; de Lourdes Corradi da Silva, Maria

2008-09-22

Four exopolysaccharides (EPS) obtained from Botryosphaeria rhodina strains isolated from rotting tropical fruit (graviola, mango, pinha, and orange) grown on sucrose were purified on Sepharose CL-4B. Total acid hydrolysis of each EPS yielded only glucose. Data from methylation analysis and (13)C NMR spectroscopy indicated that the EPS from the graviola isolate consisted of a main chain of glucopyranosyl (1-->3) linkages substituted at O-6 as shown in the putative structure below: [carbohydrate structure: see text]. The EPS of the other fungal isolates consisted of a linear chain of (1-->6)-linked glucopyranosyl residues of the following structure: [carbohydrate structure: see text]. FTIR spectra showed one band at 891 cm(-1), and (13)C NMR spectroscopy showed that all glucosidic linkages were of the beta-configuration. Dye-inclusion studies with Congo Red indicated that each EPS existed in a triple-helix conformational state. beta-(1-->6)-d-Glucans produced as exocellular polysaccharides by fungi are uncommon.

Orientation determination of interfacial beta-sheet structures in situ.

PubMed

Nguyen, Khoi Tan; King, John Thomas; Chen, Zhan

2010-07-01

Structural information such as orientations of interfacial proteins and peptides is important for understanding properties and functions of such biological molecules, which play crucial roles in biological applications and processes such as antimicrobial selectivity, membrane protein activity, biocompatibility, and biosensing performance. The alpha-helical and beta-sheet structures are the most widely encountered secondary structures in peptides and proteins. In this paper, for the first time, a method to quantify the orientation of the interfacial beta-sheet structure using a combined attenuated total reflectance Fourier transformation infrared spectroscopic (ATR-FTIR) and sum frequency generation (SFG) vibrational spectroscopic study was developed. As an illustration of the methodology, the orientation of tachyplesin I, a 17 amino acid peptide with an antiparallel beta-sheet, adsorbed to polymer surfaces as well as associated with a lipid bilayer was determined using the regular and chiral SFG spectra, together with polarized ATR-FTIR amide I signals. Both the tilt angle (theta) and the twist angle (psi) of the beta-sheet at interfaces are determined. The developed method in this paper can be used to obtain in situ structural information of beta-sheet components in complex molecules. The combination of this method and the existing methodology that is currently used to investigate alpha-helical structures will greatly broaden the application of optical spectroscopy in physical chemistry, biochemistry, biophysics, and structural biology.

Fallout Radioactivity and Epiphytes.

Treesearch

H. T. Odum; George Ann Briscoe; C. B. Briscoe

1970-01-01

After relatively high levels of fallout retention were dicovered in the epiphytic mossy forest of the Luquillo Mountains durin 1962, a survey of the distribution of radioactivity in the rain forest system was made with beta counting of 1500 samples supplemented with gamma spectra. High levels, up to 4138 counts per minute per gram, were found mainly in or on green...

Experimental Observations of Nuclear Activity in Deuterated Materials Subjected to a Low-Energy Photon Beam

NASA Technical Reports Server (NTRS)

Steinetz, Bruce M.; Benyo, Theresa L.; Pines, Vladimir; Pines, Marianna; Forsley, Lawrence P.; Westmeyer, Paul A.; Chait, Arnon; Becks, Michael D.; Martin, Richard E.; Hendricks, Robert C.;

Development of InP solid state detector and liquid scintillator containing metal complex for measurement of pp/7Be solar neutrinos and neutrinoless double beta decay

NASA Astrophysics Data System (ADS)

Fukuda, Yoshiyuki; Moriyama, Shigetaka

2012-07-01

A large volume solid state detector using a semi-insulating Indium Phosphide (InP) wafer have been developed for measurement of pp/7Be solar neutrinos. Basic performance such as the charge collection efficiency and the energy resolution were measured by 60% and 20%, respectively. In order to detect two gammas (115keV and 497keV) from neutrino capture, we have designed hybrid detector which consist InP detector and liquid xenon scintillator for IPNOS experiment. New InP detector with thin electrode (Cr 50Å- Au 50Å). For another possibility, an organic liquid scintillator containing indium complex and zirconium complex were studied for a measurement of low energy solar neutrinos and neutrinosless double beta decay, respectively. Benzonitrile was chosen as a solvent because of good solubility for the quinolinolato complexes (2 wt%) and of good light yield for the scintillation induced by gamma-ray irradiation. The photo-luminescence emission spectra of InQ3 and ZrQ4 in benzonitrile was measured and liquid scintillator cocktail using InQ3 and ZrQ4 (50mg) in benzonitrile solutions (20 mL) with secondary scintillators with PPO (100mg) and POPOP (10mg) was made. The energy spectra of incident gammas were measured, and they are first results of the gamma-ray energy spectra using luminescent of metal complexes.

Investigation of the shell stars omicron and theta Per, and of the eclipsing binary beta Lyr

NASA Technical Reports Server (NTRS)

Plavec, M.

1975-01-01

All three stars showed rather complicated spectra, which require a very detailed spectroscopic analysis. The far UV spectrum of Beta Lyrae is clearly peculiar, with a multitude of emission lines not observed on any other star so far scanned with Copernicus. This made this star at once the most interesting and also, in a sense, easier to study. The other two stars display a spectrum rich in absorption lines, some of them being fairly broad (as expected for photospheric lines of rapidly rotating objects), some sharp. The later were clearly non-photospheric lines. An attempt was made to distinguish the circumstellar from the interstellar components.

Effects of temperature and SDS on the structure of beta-glycosidase from the thermophilic archaeon Sulfolobus solfataricus.

PubMed Central

D'auria, S; Barone, R; Rossi, M; Nucci, R; Barone, G; Fessas, D; Bertoli, E; Tanfani, F

1997-01-01

The effects of temperature and SDS on the three-dimensional organization and secondary structure of beta-glycosidase from the thermophilic archaeon Sulfolobus solfataricus were investigated by CD, IR spectroscopy and differential scanning calorimetry. CD spectra in the near UV region showed that the detergent caused a remarkable change in the protein tertiary structure, and far-UV CD analysis revealed only a slight effect on secondary structure. Infrared spectroscopy showed that low concentrations of the detergent (up to 0.02%) induced slight changes in the enzyme secondary structure, whereas high concentrations caused the alpha-helix content to increase at high temperatures and prevented protein aggregation. PMID:9169619

Dielectric characterization of neutralized and nonneutralized chitosan upon drying.

PubMed

Viciosa, M T; Dionísio, M; Mano, J F

2006-02-15

Isothermal dielectric loss spectra of neutralized and nonneutralized chitosan were acquired in successive runs from -130 degrees C up to increasing final temperatures, in a frequency range between 20 Hz and 1 MHz. Essentially, three relaxation processes were detected in the temperature range covered: (i) a beta-wet process, detected when the sample has a higher water content that vanishes after heating to 150 degrees C; (ii) a beta process, which is located at temperatures below 0 degrees C, becoming better defined and maintaining its location after annealing at 150 degrees C independently of the protonation state of the amino side group; and (iii) a sigma process that deviates to higher temperatures with drying, being more mobile in the nonneutralized form. Moreover, in dried neutralized chitosan, a fourth process was detected in the low frequency side of the secondary beta process that diminishes after annealing. Whether this process is a distinct relaxation of the dried polymer or a deviated beta-wet process due to the loss of water residues achieved by annealing is not straightforward. Only beta and sigma processes persist after annealing at 150 degrees C. The changes in molecular mobility upon drying of these two relaxation processes were evaluated. Copyright (c) 2005 Wiley Periodicals, Inc.

Beta decay heat following U-235, U-238 and Pu-239 neutron fission

NASA Astrophysics Data System (ADS)

Li, Shengjie

1997-09-01

This is an experimental study of beta-particle decay heat from 235U, 239Pu and 238U aggregate fission products over delay times 0.4-40,000 seconds. The experimental results below 2s for 235U and 239Pu, and below 20s for 238U, are the first such results reported. The experiments were conducted at the UMASS Lowell 5.5-MV Van de Graaff accelerator and 1-MW swimming-pool research reactor. Thermalized neutrons from the 7Li(p,n)7Be reaction induced fission in 238U and 239Pu, and fast neutrons produced in the reactor initiated fission in 238U. A helium-jet/tape-transport system rapidly transferred fission fragments from a fission chamber to a low background counting area. Delay times after fission were selected by varying the tape speed or the position of the spray point relative to the beta spectrometer that employed a thin-scintillator-disk gating technique to separate beta-particles from accompanying gamma-rays. Beta and gamma sources were both used in energy calibration. Based on low-energy(<1 MeV) internal-conversion electron studies, a set of trial responses for the spectrometer was established and spanned electron energies 0-10 MeV. Measured beta spectra were unfolded for their energy distributions by the program FERD, and then compared to other measurements and summation calculations based on ENDF/B-VI fission-product data performed on the LANL Cray computer. Measurements of the beta activity as a function of decay time furnished a relative normalization. Results for the beta decay heat are presented and compared with other experimental data and the summation calculations.

Synthesis of stereospecifically deuterated desoxypodophyllotoxins and 1H-nmr assignment of desoxypodophyllotoxin

NASA Technical Reports Server (NTRS)

Pullockaran, A. J.; Kingston, D. G.; Lewis, N. G.

1989-01-01

[4 beta- 2H1]Desoxypodophyllotoxin [3], [4 alpha- 2H1]desoxypodophyllotoxin [4], and [4, 4- 2 H2]desoxypodophyllotoxin [9] were prepared from podophyllotoxin [1] via its chloride [5]. A complete assignment of the 1H-nmr spectrum of desoxypodophyllotoxin [2] was made on the basis of the spectra of the deuterated compounds [3] and [4].

Cross section of resonant Raman scattering of light by polyenes

NASA Astrophysics Data System (ADS)

Verdyugin, V. V.; Burshteyn, K. Ya.; Shorygin, P. P.

1987-03-01

An experimental study is presented of the resonant Raman spectra of beta carotene. Absolute differential cross sections are obtained for the most intensive Raman spectral lines with excitation at the absorption maximum. A theoretical analysis is presented of the variation in absolute differential cross section as a function of a number of conjunct double bonds in the polyenes.

Dissecting Reactor Antineutrino Flux Calculations

NASA Astrophysics Data System (ADS)

Sonzogni, A. A.; McCutchan, E. A.; Hayes, A. C.

2017-09-01

Current predictions for the antineutrino yield and spectra from a nuclear reactor rely on the experimental electron spectra from 235U, 239Pu, 241Pu and a numerical method to convert these aggregate electron spectra into their corresponding antineutrino ones. In the present work we investigate quantitatively some of the basic assumptions and approximations used in the conversion method, studying first the compatibility between two recent approaches for calculating electron and antineutrino spectra. We then explore different possibilities for the disagreement between the measured Daya Bay and the Huber-Mueller antineutrino spectra, including the 238U contribution as well as the effective charge and the allowed shape assumption used in the conversion method. We observe that including a shape correction of about +6 % MeV-1 in conversion calculations can better describe the Daya Bay spectrum. Because of a lack of experimental data, this correction cannot be ruled out, concluding that in order to confirm the existence of the reactor neutrino anomaly, or even quantify it, precisely measured electron spectra for about 50 relevant fission products are needed. With the advent of new rare ion facilities, the measurement of shape factors for these nuclides, for many of which precise beta intensity data from TAGS experiments already exist, would be highly desirable.

Dissecting Reactor Antineutrino Flux Calculations

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

Sonzogni, A. A.; McCutchan, E. A.; Hayes, A. C.

2017-09-15

Current predictions for the antineutrino yield and spectra from a nuclear reactor rely on the experimental electron spectra from 235 U , 239 Pu , 241 Pu and a numerical method to convert these aggregate electron spectra into their corresponding antineutrino ones. In our present work we investigate quantitatively some of the basic assumptions and approximations used in the conversion method, studying first the compatibility between two recent approaches for calculating electron and antineutrino spectra. We then explore different possibilities for the disagreement between the measured Daya Bay and the Huber-Mueller antineutrino spectra, including the 238 U contribution as wellmore » as the effective charge and the allowed shape assumption used in the conversion method. Here, we observe that including a shape correction of about + 6 % MeV - 1 in conversion calculations can better describe the Daya Bay spectrum. Because of a lack of experimental data, this correction cannot be ruled out, concluding that in order to confirm the existence of the reactor neutrino anomaly, or even quantify it, precisely measured electron spectra for about 50 relevant fission products are needed. With the advent of new rare ion facilities, the measurement of shape factors for these nuclides, for many of which precise beta intensity data from TAGS experiments already exist, would be highly desirable.« less

Quantitative electroencephalogram (QEEG) Spectrum Analysis of Patients with Schizoaffective Disorder Compared to Normal Subjects.

PubMed

Moeini, Mahdi; Khaleghi, Ali; Amiri, Nasrin; Niknam, Zahra

2014-10-01

The aim of this study was to achieve a better understanding of schizoaffective disorder. Therefore, we obtained electroencephalogram (EEG) signals from patients with schizoaffective disorder and analyzed them in comparison to normal subjects. Forty patients with schizoaffective disorder and 40 normal subjects were selected randomly and their electroencephalogram signals were recorded based on 10-20 international system by 23 electrodes in open- and closed-eyes while they were sitting on a chair comfortably. After preprocessing for noise removal and artifact reduction, we took 60- second segments from each recorded signals. Then, the absolute and relative powers of these segments were evaluated in all channels and in 4 frequency bands (i.e., delta, theta, alpha and beta waves). Finally, Data were analyzed by independent t-test using SPSS software. A significant decrease in relative power in the alpha band, a significant decrease in power spectra in the alpha band and a significant increase in power spectra in the beta band were found in patients compared to normal subjects (P < 0.05). The predominant wave in the centro-parietal region was the beta wave in patients, but it was the alpha band in normal subjects (P = 0.048). Also, the predominant wave of the occipital region in patients was the delta wave, while it was the alpha wave in normal subjects (P = 0.038). Considering the findings, particularly based on the significant decrease of the alpha waves in schizoaffective patients, it can be concluded that schizoaffective disorder can be seen in schizophrenia spectrum.

Electrochemical and optical study of carotenoids in TX 100 micelles: Electron transfer and a large blue shift

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

He, Z.; Kispert, L.D.

1999-10-21

The first oxidation waves of 8{prime}-apo-{beta}-caroten-8{prime}-al (I) and 8{prime}-apo-{beta}-caroten-8{prime}nitrile (II) in TX100 micelles are clearly observed in their cyclic voltammograms (CVs). The CV of {beta}-carotene (III) in TX100 micelles shows that III is not oxidized. It is proposed that the hydrophobic barrier of the micelle is an important reason for the failure to oxidize III, which is totally located in the hydrophobic center of the micelle. The oxidation of I and II demonstrates that electrons can be transferred through the terminal groups over a distance of ca. 22 {angstrom}. An unusually large blue band shift (100 nm, relative to thatmore » in CH{sub 2}Cl{sub 2}) is observed in the optical absorption spectrum of 7{prime}-apo-7{prime},7{prime}-dicyano-{beta}-carotene (IV) in TX100 micelles. This phenomenon is not observed in the absorption spectra of other studied carotenoids. A change in the ground-state electronic structure of IV, due to the influence of water near the terminal dicyanomethylidene group, is proposed to be the major reason for this large band shift.« less

Polyhydroxy steroids and saponins from China Sea starfish Asterina pectinifera and their biological activities.

PubMed

Peng, Yan; Zheng, Jianxian; Huang, Riming; Wang, Yifei; Xu, Tunhai; Zhou, Xuefeng; Liu, Qiuying; Zeng, Fanli; Ju, Huaiqiang; Yang, Xianwen; Liu, Yonghong

2010-06-01

A new polyhydroxy sterol ester, (25S)-5alpha-cholestane-3beta,6alpha,7alpha,8,15alpha,16beta-hexahydroxyl-26-O-14'Z-eicosenoate (1), together with seven known steroid derivatives (2-8), were isolated from the EtOH extract of the whole body of China Sea starfish Asterina pectinifera. The structure of 1 was determined by using extensive spectra analysis (IR, 1D and 2D NMR, and MS), chemical degradation, and comparison with the known compound (25S)-5alpha-cholestane-3beta,6alpha,7alpha,8,15alpha,16beta,26-heptol (2). All the isolates were evaluated for their antiviral activity against herpes simplex virus type 1 (HSV-1) and their cytotoxicity against human liver carcinoma HepG2 cell line in vitro. Compounds 3-6, and 8 exhibited antiviral activity against HSV-1 virus with the minimal inhibitory concentration (MIC) values of 0.2, 0.05, 0.2, 0.22, and 0.07 microM, respectively. While compounds 4 and 5 exhibited cytotoxicity against HepG2 cells with IC(50) values of 0.2 and 1.6 microM, respectively.

Luminescence properties after X-ray irradiation for dosimetry

NASA Astrophysics Data System (ADS)

Hong, Duk-Geun; Kim, Myung-Jin

2016-05-01

To investigate the luminescence characteristics after exposure to X-ray radiation, we developed an independent, small X-ray irradiation system comprising a Varian VF-50J mini X-ray generator, a Pb collimator, a delay shutter, and an Al absorber. With this system, the apparent dose rate increased linearly to 0.8 Gy/s against the emission current for a 50 kV anode potential when the shutter was delayed for an initial 4 s and the Al absorber was 300 µm thick. In addition, an approximately 20 mm diameter sample area was irradiated homogeneously with X rays. Based on three-dimensional (3D) thermoluminescence (TL) spectra, the small X-ray irradiator was considered comparable to the conventional 90Sr/90Y beta source even though the TL intensity from beta irradiation was higher than that from X-ray irradiation. The single aliquot regenerative (SAR) growth curve for the small X-ray irradiator was identical to that for the beta source. Therefore, we concluded that the characteristics of the small X-ray irradiator and the conventional 90Sr/90Y beta source were similar and that X ray irradiation had the potential for being suitable for use in luminescence dosimetry.

The ozonation of cholesterol: Separation and identification of 2,4-dinitrophenylhydrazine derivatization products of 3 beta-hydroxy-5-oxo-5,6-secocholestan-6-al

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

Wang, K.; Bermudez, E.; Pryor, W.A.

1993-05-01

The ozonation products of cholesterol, which are of interest as possible biomarkers of O3 exposure, were studied by derivatization with 2,4-dinitrophenylhydrazine (DNPH). The DNPH derivatization of 3 beta-hydroxy-5-oxo-5,6-secocholestan-6-al (2) produces the expected trans (3b) and cis (3c) derivatives of 3 beta-hydroxy-5-oxo-5,6-secocholestan-6-al, and the unexpected DNPH derivative of 3,5-dihydroxy-B-norcholestane-6-carboxaldehyde (3a). The structures of 3a, 3b, and 3c were identified with 1H nuclear magnetic resonance (NMR), 13C NMR, DEPT, COSY, and H-C correlation two-dimensional NMR techniques, and by comparison with the spectra of known compounds. A possible mechanism involving an enamine functionality is proposed for the formation of 3a. The ratio ofmore » 3a/(3b + 3c) depends on the concentration of acid used and the reaction time.« less

Computer Simulations to Study Diffraction Effects of Stacking Faults in Beta-SiC: II. Experimental Verification. 2; Experimental Verification

NASA Technical Reports Server (NTRS)

Pujar, Vijay V.; Cawley, James D.; Levine, S. (Technical Monitor)

2000-01-01

Earlier results from computer simulation studies suggest a correlation between the spatial distribution of stacking errors in the Beta-SiC structure and features observed in X-ray diffraction patterns of the material. Reported here are experimental results obtained from two types of nominally Beta-SiC specimens, which yield distinct XRD data. These samples were analyzed using high resolution transmission electron microscopy (HRTEM) and the stacking error distribution was directly determined. The HRTEM results compare well to those deduced by matching the XRD data with simulated spectra, confirming the hypothesis that the XRD data is indicative not only of the presence and density of stacking errors, but also that it can yield information regarding their distribution. In addition, the stacking error population in both specimens is related to their synthesis conditions and it appears that it is similar to the relation developed by others to explain the formation of the corresponding polytypes.

Amino acid substitutions enhancing thermostability of Bacillus polymyxa beta-glucosidase A.

PubMed Central

Lopez-Camacho, C; Salgado, J; Lequerica, J L; Madarro, A; Ballestar, E; Franco, L; Polaina, J

1996-01-01

Mutations enhancing the thermostability of beta-glucosidase A of Bacillus polymyxa, a family 1 glycosyl hydrolase, have been obtained after hydroxylamine mutagenesis of a plasmid containing the bglA gene, transformation of Escherichia coli with the mutagenized plasmid, and identification of transformant colonies that showed beta-glucosidase activity after a thermal treatment that inactivated the wild-type enzyme. Two additive mutations have been characterized that cause replacement of glutamate at position 96 by lysine and of methionine at position 416 by isoleucine respectively. The thermoresistant mutant enzymes showed increased resistance to other denaturing agents, such as pH and urea, while their kinetic parameters did not change. CD spectra indicated that the E96K replacement caused an increase in alpha-helix content. The observed effect of the M416I mutation is consistent with the lower content of cysteine and methionine found in family 1 enzymes of thermophilic species compared with similar ones from mesophilic organisms. PMID:8615777

Linear and nonlinear mechanical properties of a series of epoxy resins

NASA Technical Reports Server (NTRS)

Curliss, D. B.; Caruthers, J. M.

1987-01-01

The linear viscoelastic properties have been measured for a series of bisphenol-A-based epoxy resins cured with the diamine DDS. The linear viscoelastic master curves were constructed via time-temperature superposition of frequency dependent G-prime and G-double-prime isotherms. The G-double-prime master curves exhibited two sub-Tg transitions. Superposition of isotherms in the glass-to-rubber transition (i.e., alpha) and the beta transition at -60 C was achieved by simple horizontal shifts in the log frequency axis; however, in the region between alpha and beta, superposition could not be effected by simple horizontal shifts along the log frequency axis. The different temperature dependency of the alpha and beta relaxation mechanisms causes a complex response of G-double-prime in the so called alpha-prime region. A novel numerical procedure has been developed to extract the complete relaxation spectra and its temperature dependence from the G-prime and G-double-prime isothermal data in the alpha-prime region.

The use of cosmic-ray muons in the energy calibration of the Beta-decay Paul Trap silicon-detector array

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

Hirsh, T. Y.; Perez Galvan, A.; Burkey, M.

This article presents an approach to calibrate the energy response of double-sided silicon strip detectors (DSSDs) for low-energy nuclear-science experiments by utilizing cosmic-ray muons. For the 1-mm-thick detectors used with the Beta-decay Paul Trap, the minimum-ionizing peak from these muons provides a stable and time-independent in situ calibration point at around 300 keV, which supplements the calibration data obtained above 3 MeV from sources. The muon-data calibration is achieved by comparing experimental spectra with detailed Monte Carlo simulations performed using GEANT4 and CRY codes. This additional information constrains the calibration at lower energies, resulting in improvements in quality and accuracy.

Study of Quantum Chaos in the Framework of Triaxial Rotator Models

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

Proskurins, J.; Bavrins, K.; Andrejevs, A.

2009-01-28

Dynamical quantum chaos criteria--a perturbed wave function entropy W({psi}{sub i}) and a fragmentation width {kappa}({phi}{sub k}) of basis states were studied in two cases of nuclear rigid triaxial rotator models. The first model is characterized by deformation angle {gamma} only, while the second model depends on both quadrupole deformation parameters ({beta},{gamma}). The degree of chaoticity has been determined in the studies of the dependence of criteria W({psi}{sub i}) and {kappa}({phi}{sub k}) from nuclear spin values up to I{<=}101 for model parameters {gamma} and ({beta},{gamma}) correspondingly. The transition from librational to rotational type energy spectra has been considered for both modelsmore » as well.« less

The use of cosmic-ray muons in the energy calibration of the Beta-decay Paul Trap silicon-detector array

NASA Astrophysics Data System (ADS)

Hirsh, T. Y.; Pérez Gálvan, A.; Burkey, M. T.; Aprahamian, A.; Buchinger, F.; Caldwell, S.; Clark, J. A.; Gallant, A. T.; Heckmaier, E.; Levand, A. F.; Marley, S. T.; Morgan, G. E.; Nystrom, A.; Orford, R.; Savard, G.; Scielzo, N. D.; Segel, R.; Sharma, K. S.; Siegl, K.; Wang, B. S.

2018-04-01

This article presents an approach to calibrate the energy response of double-sided silicon strip detectors (DSSDs) for low-energy nuclear-science experiments by utilizing cosmic-ray muons. For the 1-mm-thick detectors used with the Beta-decay Paul Trap, the minimum-ionizing peak from these muons provides a stable and time-independent in situ calibration point at around 300 keV, which supplements the calibration data obtained above 3 MeV from α sources. The muon-data calibration is achieved by comparing experimental spectra with detailed Monte Carlo simulations performed using GEANT4 and CRY codes. This additional information constrains the calibration at lower energies, resulting in improvements in quality and accuracy.

[Trofosides A and B and other cytostatic steroid-derived compounds from the Far East starfish Trofodiscus über].

PubMed

Levina, E V; Kalinovskiĭ, A I; Andriiashchenko, P V; Menzorova, N I; Dmitrenok, P S

2007-01-01

Three new polar steroids identified as trofoside A, (20R,24S)-24-O-(3-O-methyl-beta-D-xylopyranosyl)-3beta,6alpha,8,15beta,24-pentahydroxy-5alpha-cholestane, its 22(23)-dehydro derivative (trofoside B), and 15-sulfoxy-(20R,24S)-5alpha-cholestane-3beta,6beta,8,15alpha,24-pentaol sodium salt, were isolated from Trofodiscus uber starfish extracts collected in the Sea of Okhotsk. Two known compounds, trofoside A aglycone, (20R,24S)-3beta,6alpha,8,15beta,24-pentahydroxy-5alpha-cholestane, and triseramide, (20R,24R,25S,22E)-24-methyl-3beta,6alpha,8,15beta-tetrahydroxy-5alpha-cholest-22-en-27-oic acid (2-sulfoethyl)amide sodium salt, were also found. The structures of the isolated polyoxysteroids were established from their spectra. Minimal concentrations causing degradation of unfertilized egg-cells of the sea-urchin Strongylocentrotus intermedius (C(min)) and terminating the cell division at the stage of the first division (C(min) embr.), as well as the concentrations causing 50% immobilization of sperm cells (ImC50) and inhibiting their ability to fertilize egg-cells by 50% (IC50) were determined for the isolated compounds. Of three compounds highly toxic in embryos and sea-urchin sperm cells, the polyol with a sulfo group in the steroid core was the most active; two glycosides with monosaccharide chains located at C3 and C24 atoms were less toxic. Note that all the compounds with the spermiotoxic activities differently affected the embryo development. The positions of monosaccharide residues in the core considerably influence the compound activity. For example, both mono- and double chained glycosides with the monosaccharide fragment at C3 and C24 atoms are active against sea-urchin sperm cells and embryos, whereas the C24 glycosylated trofoside A does not affect embryos and displays a poor spermiotoxicity.

Automated in-tube solid-phase microextraction coupled with liquid chromatography/electrospray ionization mass spectrometry for the determination of beta-blockers and metabolites in urine and serum samples.

PubMed

Kataoka, H; Narimatsu, S; Lord, H L; Pawliszyn, J

1999-10-01

The technique of automated in-tube solid-phase microextraction (SPME) coupled with liquid chromatography/electrospray ionization mass spectrometry (LC/ESI-MS) was evaluated for the determination of beta-blockers in urine and serum samples. In-tube SPME is an extraction technique for organic compounds in aqueous samples, in which analytes are extracted from the sample directly into an open tubular capillary by repeated draw/eject cycles of sample solution. LC/MS analyses of beta-blockers were initially performed by liquid injection onto a LC column. Nine beta-blockers tested in this study gave very simple ESI mass spectra, and strong signals corresponding to [M + H]+ were observed for all beta-blockers. The beta-blockers were separated with a Hypersil BDS C18 column using acetonitrile/methanol/water/acetic acid (15:15:70:1) as a mobile phase. To optimize the extraction of beta-blockers, several in-tube SPME parameters were examined. The optimum extraction conditions were 15 draw/eject cycles of 30 microL of sample in 100 mM Tris-HCl (pH 8.5) at a flow rate of 100 microL/min using an Omegawax 250 capillary (Supelco, Bellefonte, PA). The beta-blockers extracted by the capillary were easily desorbed by mobile-phase flow, and carryover of beta-blockers was not observed. Using in-tube SPME/LC/ESI-MS with selected ion monitoring, the calibration curves of beta-blockers were linear in the range from 2 to 100 ng/mL with correlation coefficients above 0.9982 (n = 18) and detection limits (S/N = 3) of 0.1-1.2 ng/mL. This method was successfully applied to the analysis of biological samples without interference peaks. The recoveries of beta-blockers spiked into human urine and serum samples were above 84 and 71%, respectively. A serum sample from a patient administrated propranolol was analyzed using this method and both propranolol and its metabolites were detected.

Neutron-gamma discrimination with UGAB scintillator using zero-crossing method.

PubMed

Divani-Vais, N; Bayat, E; Firoozabadi, M M; Ghal-Eh, N

2013-01-01

The new-type scintillator, Ultima Gold Alpha-Beta (UGAB), was studied for its neutron-gamma discrimination capability. The figure-of-merit and peak-to-valley values for the neutron-gamma discrimination spectra of UGAB scintillator when exposed to (241)Am-Be neutron source were presented. The results show that this new-type scintillator can efficiently be used in neutron-gamma discrimination experiments.

Pigment spectra and intermolecular interaction potentials in glasses and proteins.

PubMed

Renge, I; van Grondelle, R; Dekker, J P

2007-10-01

A model is proposed for chromophore optical spectra in solids over a wide range of temperatures and pressures. Inhomogeneous band shapes and their pressure dependence, as well as baric shift coefficients of spectral lines, selected by the frequency, were derived using Lennard-Jones potentials of the ground and excited states. Quadratic electron-phonon coupling constants, describing the thermal shift and broadening of zero-phonon lines, were also calculated. Experimentally, thermal shift and broadening of spectral holes were studied between 5 and 40 K for a synthetic pigment, chlorin, embedded in polymer hosts. The baric effects on holes were determined by applying hydrostatic He gas pressure up to 200 bar, at 6 K. Absorption spectra of pheophytin a, chlorophyll a, and beta-carotene in polymers and plant photosystem II CP47 complex were measured between 5 (or 77) and 300 K, and subject to Voigtian deconvolution. A narrowing of inhomogeneous bandwidth with increasing temperature, predicted on the basis of hole behavior, was observed as the shrinking of Gaussian spectral component. The Lorentzian broadening was ascribed to optical dephasing up to 300 K in transitions with weak to moderate linear electron-phonon coupling strength. The thermal broadening is purely Gaussian in multiphonon transitions (S(2) band of beta-carotene, Soret bands of tetrapyrrolic pigments), and the Lorentz process appears to be suppressed, indicating a lack of exponential dephasing. Density, polarity, polarizability, compressibility, and other local parameters of the pigment binding sites in biologically relevant systems can be deduced from spectroscopic data, provided that sufficient background information is available.

UTILIZING SYNTHETIC UV SPECTRA TO EXPLORE THE PHYSICAL BASIS FOR THE CLASSIFICATION OF LAMBDA BOÖTIS STARS

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

Cheng, Kwang-Ping; Johnson, Dustin M.; Tarbell, Erik S.

2016-04-15

Lambda Boo-type stars are a group of late B to early F-type Population I dwarfs that show mild to extreme deficiencies of iron-peak elements (up to 2 dex), but their C, N, O, and S abundances are near solar. This intriguing stellar class has recently regained the spotlight because of the directly imaged planets around a confirmed Lambda Boo star, HR 8799, and a suggested Lambda Boo star, Beta Pictoris. The discovery of a giant asteroid belt around Vega, another possible Lambda Boo star, also suggests hidden planets. The possible link between Lambda Boo stars and planet-bearing stars motivates usmore » to study Lambda Boo stars systematically. Since the peculiar nature of the prototype Lambda Boötis was first noticed in 1943, Lambda Boo candidates published in the literature have been selected using widely different criteria. In order to determine the origin of Lambda Boo stars’ unique abundance pattern and to better discriminate between theories explaining the Lambda Boo phenomenon, a consistent working definition of Lambda Boo stars is needed. We have re-evaluated all published Lambda Boo candidates and their available ultraviolet and visible spectra. In this paper, using observed and synthetic spectra, we explore the physical basis for the classification of Lambda Boo stars, and develop quantitative criteria that discriminate metal-poor stars from bona fide Lambda Boo stars. Based on these stricter Lambda Boo classification criteria, we conclude that neither Beta Pictoris nor Vega should be classified as Lambda Boo stars.« less

VizieR Online Data Catalog: 1H 0323+342 rest frame optical spectrum with GHAO (Leon+, 2014)

NASA Astrophysics Data System (ADS)

Leon Tavares, J.; Kotilainen, J.; Chavushyan, V.; Anorve, C.; Puerari, I.; Cruz-Gonzalez, I.; Patino-Alvarez, V.; Anton, S.; Carraminana, A.; Carrasco, L.; Guichard, J.; Karhunen, K.; Olguin-Iglesias, A.; Sanghvi, J.; Valdes, J.

2017-05-01

Within the framework of a spectrophotometric monitoring program of bright γ-ray sources (Patino-Alvarez et al. 2013, Proc. Fermi Symposium, arXiv:1303.1893), we undertook spectroscopic observations of 1H 0323+342 using the Boller & Chivens long-slit spectrograph on the 2.1 m Guillermo Haro Astrophysical Observatory (GHAO) in Sonora, Mexico. The spectra were obtained under photometric weather conditions (2012 September 17, 2013 January 9, 2013 February 7 and 11) using a slit width of 2.5 arcsec. The spectral resolution was R=15 Å and R=7 Å (FWHM) for the low-resolution and intermediate-resolution spectra, respectively. The wavelength range for the three low-resolution spectra is 3800-7100 Å, and for one intermediate-resolution spectrum the wavelength range is 4300-5900 Å. The signal-to-noise ratio (S/N) was >40 in the continuum near H{Beta}. To enable a wavelength calibration, HeAr lamp spectra were taken after each object exposure. Spectrophotometric standard stars were observed every night (at least two per night) to enable flux calibration. (1 data file).

VizieR Online Data Catalog: FGK dwarfs atmospheric parameters (Ryabchikova+, 2016)

NASA Astrophysics Data System (ADS)

Ryabchikova, T.; Piskunov, N.; Pakhomov, Y.; Tsymbal, V.; Titarenko, A.; Sitnova, T.; Alexeeva, S.; Fossati, L.; Mashonkina, L.

2016-08-01

For the spectroscopic analysis, we choose the 13 MS stars including the Sun (Table 1) in the 4900-6600K temperature range and with metallicity between [Fe/H]=-1.5 and +0.3dex. All the stars, except HD 149026, have, at least, one interferometric determination of radius and effective temperature. Spectra of the programme stars were obtained with different spectrographs. Most data were extracted from the following archives: the UVES/VLT and HARPS/3.6m spectrographs at ESO,2 the ELODIE/1.93-m spectrograph3 at the Observatoire de Haute Provence, and the ESPaDONs spectrograph at the Canada-France-Hawaii Telescope (CFHT). Spectra of beta Vir and HD 103095 were obtained with the FOCES spectrograph at 2.2-m telescope of the Calar Alto Observatory. One of the spectra of 61 Vir was obtained with the Hamilton Echelle Spectrograph attached to the Shane 3-m telescope of the Lick Observatory. Spectra of few stars, including that of the Sun reflected from Ganymede, were obtained with the HiReS/Keck spectrograph. (3 data files).

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

Richards, Mercedes T.; Agafonov, Michail I.; Sharova, Olga I., E-mail: mrichards@astro.psu.edu, E-mail: agfn@nirfi.sci-nnov.ru, E-mail: shol@nirfi.sci-nnov.ru

Time-resolved H{alpha} spectra of magnetically active interacting binaries have been used to create three-dimensional (3D) Doppler tomograms by means of the Radioastronomical Approach. This is the first 3D reconstruction of {beta} Per, with RS Vul for comparison. These 3D tomograms have revealed evidence of the mass transfer process (gas stream, circumprimary emission, localized region, absorption zone), as well as loop prominences and coronal mass ejections (CMEs) in {beta} Per and RS Vul that could not be discovered from two-dimensional tomograms alone. The gas stream in both binaries may have been deflected beyond the central plane by the donor star's magneticmore » field. The stream was more elongated along the predicted trajectory in RS Vul than in {beta} Per, but not as pronounced as in U CrB (stream state). The loop prominence reached maximum V{sub z} velocities of {+-}155 km s{sup -1} in RS Vul compared to {+-}120 km s{sup -1} in {beta} Per, while the CME reached a maximum V{sub z} velocity of +150 km s{sup -1} in RS Vul and +100 km s{sup -1} in {beta} Per. The 3D tomograms show that the gas flows are not symmetric relative to the central plane and are not confined to that plane, a result confirmed by recent 15 GHz VLBI radio images of {beta} Per. Both the 3D H{alpha} tomography and the VLBI radio images support an earlier prediction of the superhump phenomenon in {beta} Per: that the gas between the stars is threaded with a magnetic field even though the hot B8V mass-gaining star is not known to have a magnetic field.« less

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

Pasek, Marta; Boeggeman, Elizabeth; Ramakrishnan, Boopathy

The expression of recombinant proteins in Escherichia coli often leads to inactive aggregated proteins known as the inclusion bodies. To date, the best available tool has been the use of fusion tags, including the carbohydrate-binding protein; e.g., the maltose-binding protein (MBP) that enhances the solubility of recombinant proteins. However, none of these fusion tags work universally with every partner protein. We hypothesized that galectins, which are also carbohydrate-binding proteins, may help as fusion partners in folding the mammalian proteins in E. coli. Here we show for the first time that a small soluble lectin, human galectin-1, one member of amore » large galectin family, can function as a fusion partner to produce soluble folded recombinant human glycosyltransferase, {beta}-1,4-galactosyltransferase-7 ({beta}4Gal-T7), in E. coli. The enzyme {beta}4Gal-T7 transfers galactose to xylose during the synthesis of the tetrasaccharide linker sequence attached to a Ser residue of proteoglycans. Without a fusion partner, {beta}4Gal-T7 is expressed in E. coli as inclusion bodies. We have designed a new vector construct, pLgals1, from pET-23a that includes the sequence for human galectin-1, followed by the Tev protease cleavage site, a 6x His-coding sequence, and a multi-cloning site where a cloned gene is inserted. After lactose affinity column purification of galectin-1-{beta}4Gal-T7 fusion protein, the unique protease cleavage site allows the protein {beta}4Gal-T7 to be cleaved from galectin-1 that binds and elutes from UDP-agarose column. The eluted protein is enzymatically active, and shows CD spectra comparable to the folded {beta}4Gal-T1. The engineered galectin-1 vector could prove to be a valuable tool for expressing other proteins in E. coli.« less

A Designed Experiments Approach to Optimizing MALDI-TOF MS Spectrum Processing Parameters Enhances Detection of Antibiotic Resistance in Campylobacter jejuni

PubMed Central

Penny, Christian; Grothendick, Beau; Zhang, Lin; Borror, Connie M.; Barbano, Duane; Cornelius, Angela J.; Gilpin, Brent J.; Fagerquist, Clifton K.; Zaragoza, William J.; Jay-Russell, Michele T.; Lastovica, Albert J.; Ragimbeau, Catherine; Cauchie, Henry-Michel; Sandrin, Todd R.

2016-01-01

MALDI-TOF MS has been utilized as a reliable and rapid tool for microbial fingerprinting at the genus and species levels. Recently, there has been keen interest in using MALDI-TOF MS beyond the genus and species levels to rapidly identify antibiotic resistant strains of bacteria. The purpose of this study was to enhance strain level resolution for Campylobacter jejuni through the optimization of spectrum processing parameters using a series of designed experiments. A collection of 172 strains of C. jejuni were collected from Luxembourg, New Zealand, North America, and South Africa, consisting of four groups of antibiotic resistant isolates. The groups included: (1) 65 strains resistant to cefoperazone (2) 26 resistant to cefoperazone and beta-lactams (3) 5 strains resistant to cefoperazone, beta-lactams, and tetracycline, and (4) 76 strains resistant to cefoperazone, teicoplanin, amphotericin, B and cephalothin. Initially, a model set of 16 strains (three biological replicates and three technical replicates per isolate, yielding a total of 144 spectra) of C. jejuni was subjected to each designed experiment to enhance detection of antibiotic resistance. The most optimal parameters were applied to the larger collection of 172 isolates (two biological replicates and three technical replicates per isolate, yielding a total of 1,031 spectra). We observed an increase in antibiotic resistance detection whenever either a curve based similarity coefficient (Pearson or ranked Pearson) was applied rather than a peak based (Dice) and/or the optimized preprocessing parameters were applied. Increases in antimicrobial resistance detection were scored using the jackknife maximum similarity technique following cluster analysis. From the first four groups of antibiotic resistant isolates, the optimized preprocessing parameters increased detection respective to the aforementioned groups by: (1) 5% (2) 9% (3) 10%, and (4) 2%. An additional second categorization was created from the collection consisting of 31 strains resistant to beta-lactams and 141 strains sensitive to beta-lactams. Applying optimal preprocessing parameters, beta-lactam resistance detection was increased by 34%. These results suggest that spectrum processing parameters, which are rarely optimized or adjusted, affect the performance of MALDI-TOF MS-based detection of antibiotic resistance and can be fine-tuned to enhance screening performance. PMID:27303397

S-ovalbumin, an ovalbumin conformer with properties analogous to those of loop-inserted serpins.

PubMed Central

Huntington, J. A.; Patston, P. A.; Gettins, P. G.

1995-01-01

Most serpins are inhibitors of serine proteinases and are thought to undergo a conformational change upon complex formation with proteinase that involves partial insertion of the reactive center loop into a beta-sheet of the inhibitor. Ovalbumin, although a serpin, is not an inhibitor of serine proteinases. It has been proposed that this deficiency arises from the presence of a charged residue, arginine, at a critical point (P14) in the reactive center region, which prevents loop insertion into the beta-sheet and thereby precludes inhibitory properties. To test whether loop insertion is prevented in ovalbumin we have examined the properties of two forms of ovalbumin: the native protein and S-ovalbumin, a form that forms spontaneously from native ovalbumin and has increased stability. Calorimetric measurements showed that S-ovalbumin was more stable than ovalbumin by about 3 kcal mol-1. CD spectra, which indicated that S-ovalbumin had less alpha-helix than native ovalbumin, and 1H NMR spectra, which indicated very similar overall structures, suggest limited conformational differences between the two forms. From comparison of the susceptibility of the reactive center region of each protein to proteolysis by porcine pancreatic elastase and by subtilisin Carlsberg, we concluded that the limited native-to-S conformational change specifically affected the reactive center region. These data are consistent with a structure for S-ovalbumin in which part of the reactive center loop has inserted into beta-sheet A to give a more stable structure, analogously to other serpins. However, the rate of loop insertion appears to be very much lower than for inhibitory serpins.(ABSTRACT TRUNCATED AT 250 WORDS) PMID:7613461

The quantified EEG characteristics of responders and non-responders to long-term treatment with atomoxetine in children with attention deficit hyperactivity disorders.

PubMed

Chiarenza, Giuseppe Augusto; Chabot, Robert; Isenhart, Robert; Montaldi, Luciano; Chiarenza, Marco Paolo; Torto, Maria Grazia Lo; Prichep, Leslie S

2016-06-01

The aim of our study is to examine quantitative Electroencephalogram (QEEG) differences between ADHD patients that are responders and non-responders to long-term treatment with Atomoxetine at baseline and after 6 and 12months of treatment. Patients with attention deficit hyperactivity disorder (ADHD) received atomoxetine titrated, over 7days, from 0.5 to 1.2mg/kg/day. QEEG and Swanson, Nolan, and Pelham-IV Questionnaire (SNAP-IV) scores were recorded before treatment and after therapy. Twenty minutes of eyes closed resting EEG was recorded from 19 electrodes referenced to linked earlobes. Full frequency and narrow band spectra of two minutes of artifact-free EEG were computed as well as source localization using Variable Resolution Electrical Tomography (VARETA). Abnormalities were identified using Z-spectra relative to normative values. Patients were classified as responders, non-responders and partial responders based upon the SNAP-IV findings. At baseline, the responders showed increased absolute power in alpha and delta in frontal and temporal regions, whereas, non-responders showed increased absolute power in all frequency bands that was widely distributed. With treatment responders' absolute power values moved toward normal values, whereas, non-responders remained at baseline values. Patients with increased power in the alpha band with no evidence of alterations in the beta or theta range, might be responders to treatment with atomoxetine. Increased power in the beta band coupled with increased alpha seems to be related to non-responders and one should consider atomoxetine withdrawal, especially if there is persistence of increased alpha and beta accompanied by an increase of theta. Copyright © 2016 Elsevier B.V. All rights reserved.

Investigating the ion-scale spectral break of solar wind turbulence from low to high plasma beta with high-resolution hybrid simulations

NASA Astrophysics Data System (ADS)

Franci, Luca; Landi, Simone; Matteini, Lorenzo; Verdini, Andrea; Hellinger, Petr

2016-04-01

We investigate the properties of the ion-scale spectral break of solar wind turbulence by means of two-dimensional, large-scale, high-resolution hybrid particle-in-cell simulations. We impose an initial ambient magnetic field perpendicular to the simulation box, and we add a spectrum of in-plane large- scale magnetic and kinetic fluctuations, with energy equipartition and vanishing correlation. We perform a set of ten simulations with different values of the ion plasma beta, β_i. In all cases, we observe the power spectrum of the total magnetic fluctuations following a power law with a spectral index of -5/3 in the inertial range, with a smooth break around ion scales and a steeper power law in the sub-ion range. This spectral break always occurs at spatial scales of the order of the proton gyroradius, ρ_i, and the proton inertial length, di = ρi / √{β_i}. When the plasma beta is of the order of 1, the two scales are very close to each other and determining which is directly related to the steepening of the spectra it's not straightforward at all. In order to overcome this limitation, we extended the range of values of βi over three orders of magnitude, from 0.01 to 10, so that the two ion scales were well separated. This let us observe that the break always seems to occur at the larger of the two scales, i.e., at di for βi 1. The effect of βi on the spectra of the parallel and perpendicular magnetic components separately and of the density fluctuations is also investigated. We compare all our numerical results with solar wind observations and suggest possible explanations for our findings.

K(2)MM'(3)Se(6) (M = Cu, Ag; M' = Ga, In), A new series of metal chalcogenides with chain-sublayer-chain slabs: (infinity)(1)[M'Se(4)]-(infinity)(2)[(MSe(4))(M'Se(4))]-(infinity)(1)[M'Se(4)].

PubMed

Ma, Hong-Wei; Guo, Guo-Cong; Wang, Ming-Sheng; Zhou, Guo-Wei; Lin, Shan-Hou; Dong, Zhen-Chao; Huang, Jin-Shun

2003-02-24

A new series of novel isostructural metal chalcogenides, K(2)CuIn(3)Se(6) (1), K(2)CuGa(3)Se(6) (2), and K(2)AgIn(3)Se(6) (3), were obtained by a reactive flux technique and structurally characterized. Compounds 1, 2, and 3 crystallize in the space group C2/c of the monoclinic system with eight formula units in a cell: a = 11.445(2) A, b = 11.495(2) A, c = 21.263(4) A, beta = 97.68(3) degrees, V = 2772(1) A(3), R1/wR2 = 0.0676/0.1652 for 1; a = 11.031(2) A, b = 11.050(4) A, c = 20.808(7) A, beta = 97.71(2) degrees, V = 2513(1) A(3), R1/wR2 = 0.0301/0.0511 for 2; and a = 11.633(1) A, b = 11.587(1) A, c = 21.355(1) A, beta = 98.010(8) degrees, V = 2850.4(4) A(3), R1/wR2 = 0.0471/0.0732 for 3. These isostructural compounds are characterized by a chain-sublayer-chain slab structure. The sublayer, composed of alternative corner-sharing mixed-metal tetrahedra, is sandwiched by parallel corner-sharing tetrahedral chains. Optical absorption spectra of compounds 1, 2, and 3 reveal the presence of a sharp optical gap of 1.68, 1.72, and 1.64 eV, respectively, suggesting that these materials are semiconductors and suitable for efficient absorption of solar radiation in solar cell applications. IR spectra show no obvious absorption in the range 800-4000 cm(-)(1).

Physics of Cool Stars: Densities, Sizes, and Energetics

NASA Technical Reports Server (NTRS)

Dupree, Andrea K.

2001-01-01

The ORFEUS 1 (Orbiting and Retrievable Far and Extreme Ultraviolet Spectrometer) telescope obtained far ultraviolet spectra (lambda-lambda 912-1218) of luminous cool stars as a part of our observing program. Two classes of objects were measured: luminous single stars beta Dra (HD 159181) and two hybrid stars alpha Aqr (HD 209750) and alpha TrA (HD 150798) and two active binary systems: 44i Boo and UX Ari.

Cluster shell model: I. Structure of 9Be, 9B

NASA Astrophysics Data System (ADS)

Della Rocca, V.; Iachello, F.

2018-05-01

We calculate energy spectra, electromagnetic transition rates, longitudinal and transverse electron scattering form factors and log ft values for beta decay in 9Be, 9B, within the framework of a cluster shell model. By comparing with experimental data, we find strong evidence for the structure of these nuclei to be two α-particles in a dumbbell configuration with Z2 symmetry, plus an additional nucleon.

Study on the Characteristics of a Scintillator for Beta-ray Detection using Epoxy Resin

NASA Astrophysics Data System (ADS)

Nam, Jong Soo; Choi, Yong Seok; Hong, Sang Bum; Seo, Bum Kyung; Moon, Jei Kwon; Choi, Jong Won

2017-09-01

A thin plate of a plastic scintillator for detecting a beta-ray was developed. The plastic scintillator was made using epoxy resin and organic scintillators such as 2.5-diphenyloxazole (PPO) and 1,4-bis [5-phenyl-2-oxazole] benzene (POPOP). The mixture ratio of epoxy resin and the organic scintillators was determined using their absorbance, transmittance, emission spectra, and transparency. Their optimal weight percentage of PPO and POPOP in the organic scintillators was adjusted to 0.2 wt%:0.01 wt%. The prepared plastic scintillator was used to measure the standard source of Sr-90. The pulse height spectra and total counts of the prepared plastic scintillator were similar to a commercial plastic scintillator. Based on the above results, a large-area plastic scintillator was prepared for rapid investigation of a site contaminated with Sr-90. The prepared large-area plastic scintillator was evaluated for the characteristics in the laboratory. The evaluation results are expected to be usefully utilized in the development of a large-area plastic scintillation detector. The large-area plastic scintillation detector developed on the basis of the evaluation results is expected to be utilized to quickly measure the contamination of Sr-90 in the grounds used as a nuclear power facility.

Precision measurement of ^23Al beta-decay

NASA Astrophysics Data System (ADS)

Zhai, Yongjun; Iacob, V. E.; Hardy, J. C.; Al-Abdullah, T.; Banu, A.; Fu, C.; Golovko, V. V.; McCleskey, M.; Nica, N.; Park, H. I.; Tabacaru, G.; Tribble, R. E.; Trache, L.

2007-10-01

The beta-decay of ^23Al (See [1]) was re-measured with higher statistics and better accuracy at Texas A&M University. Using MARS we produced and separated pure ^23Al at 4000 pps, with a 48 MeV/u ^24Mg beam via the ^24Mg (p, 2n)^ 23Al reaction on a H2 cryogenic target. New β and β-γ coincidence measurements were made with a scintillator, an HPGe detector with BGO shielding and the fast tape transport system. The BGO Compton shield very much improved the quality of the γ spectra around the transition from the IAS state at 7803 keV. From the measured β singles and β-γ coincidence decay spectra we obtained an improved β-decay scheme and a more precise lifetime: t=447(4) ms. We use the method of detailed balance to obtain absolute β-branching ratios and absolute logft values for transitions to final states in ^23Mg. For this method, precise efficiency calibration of the HPGe detector up to about 8 MeV is needed. We extended our previous efficiency calibration to the range Eγ=3.5-8 MeV using the β-decay of ^24Al. [1] V.E. Iacob, Y. Zhai et al., Phys. Rev. C 74, 045810 (2006).

The search for 0νββ decay with the GERDA experiment: Status and prospects

NASA Astrophysics Data System (ADS)

Majorovits, B.

2015-08-01

The GERDA experiment is designed to search for neutrinoless double beta decay of 76Ge using HPGe detectors directly immersed into liquid argon. In its first phase the GERDA experiment has yielded a half life limit on this decay of T1/2 0 v>2.1 ṡ1025 . A background model has been developed. It explains the measured spectrum well, taking into account only components with distances to the detectors less then 2 cm. Competitive limits on Majoron accompanied double beta decay have been derived. Phase II of the experiment, now with additional liquid argon veto installed, is presently starting its commissioning phase. First commissioning spectra from calibration measurements are shown, proving that the liquid argon veto leads to a significant reduction of background events.

Diprenylated chalcones and other constituents from the twigs of Dorstenia barteri var. subtriangularis.

PubMed

Ngameni, Barthelemy; Ngadjui, Bonaventure T; Folefoc, Gabriel N; Watchueng, Jean; Abegaz, Berhanu M

2004-02-01

The twigs of Dorstenia barteri var. subtriangularis yielded three diprenylated chalcones: (-)-3-(3,3-dimethylallyl)-5'-(2-hydroxy-3-methylbut-3-enyl)-4,2',4'-trihydroxychalcone, (+)-3-(3,3-dimethylallyl)-4',5'-[2'''-(1-hydroxy-1-methylethyl)-dihydrofurano]-4,2'-dihydroxychalcone and 3,4-(6",6"-dimethyldihydropyrano)-4',5'-[2''',-(1-hydroxy-1-methylethyl)-dihydrofurano]-2'-hydroxychalcone for which the names bartericins A, B and C, respectively, are proposed. Stipulin, beta-sitosterol and its 3-beta-D-glucopyranosyl derivative were also isolated. The structures of these secondary metabolites were determined on the basis of spectroscopic analysis, especially, NMR spectra in conjunction with 2D experiments, COSY, HMQC and HMBC. The structural relationship of bartericins B and C was further established by the chemical cyclization of one to the other.

A Calibrated H-alpha Index to Monitor Emission Line Objects

NASA Astrophysics Data System (ADS)

Hintz, Eric G.; Joner, M. D.

2013-06-01

Over an 8 year period we have developed a calibrated H-alpha index, similar to the more traditional H-beta index, based on spectrophotometric observations (Joner & Hintz, 2013) from the DAO 1.2-m Telescope. While developing the calibration for this filter set we also obtained spectra of a number of emission line systems such as high mass x-ray binaries (HMXB), Be stars, and young stellar objects. From this work we find that the main sequence stars fill a very tight relation in the H-alpha/H-beta plane and that the emission line objects are easily detected. We will present the overall location of these emission line objects. We will also present the changes experiences by these objects over the course of the years of the project.

Beta decay rates of neutron-rich nuclei

NASA Astrophysics Data System (ADS)

Marketin, Tomislav; Huther, Lutz; Petković, Jelena; Paar, Nils; Martínez-Pinedo, Gabriel

2016-06-01

Heavy element nucleosynthesis models involve various properties of thousands of nuclei in order to simulate the intricate details of the process. By necessity, as most of these nuclei cannot be studied in a controlled environment, these models must rely on the nuclear structure models for input. Of all the properties, the beta-decay half-lives are one of the most important ones due to their direct impact on the resulting abundance distributions. In this study we present the results of a large-scale calculation based on the relativistic nuclear energy density functional, where both the allowed and the first-forbidden transitions are studied in more than 5000 neutron-rich nuclei. Aside from the astrophysical applications, the results of this calculation can also be employed in the modeling of the electron and antineutrino spectra from nuclear reactors.

The (BETA) Pictoris Phenomenon Among Herbig Ae/Be Stars

NASA Technical Reports Server (NTRS)

Grady, C. A.; Perez, M. R.; Talavera, A.; Bjorkman, K. S.; deWinter, D.; The, P.-S.; Molster, F. J.; vandenAncker, M. E.; Sitko, M. L.; Morrison, N. D.;

20F beta spectrum shape and weak interaction tests

NASA Astrophysics Data System (ADS)

Voytas, Paul; George, Elizabeth; Chuna, Thomas; Naviliat-Cuncic, Oscar; Hughes, Max; Huyan, Xueying; Minamisono, Kei; Paulauskas, Stanley

2016-09-01

Precision measurements of the shape of beta spectra can test our understanding of the weak interaction. We are carrying out a measurement of the shape of the energy spectrum of β particles from 20F decay. The primary motivation is to test the so-called strong form of the conserved vector current (CVC) hypothesis. The measurement should also enable us to place competitive limits on the contributions of exotic tensor couplings in beta decay. We aim to achieve a relative precision better than 3% on the linear contribution to the shape. This represents an order of magnitude improvement compared to previous experiments in 20F. In order to control systematic effects, we are using a technique that takes advantage of high energy radioactive beams at the NSCL to implant the decaying nuclei in scintillation detectors deeply enough that the emitted beta particles cannot escape. The β-particle energy is measured with the implantation detector after switching off the implantation beam. Ancillary detectors are used to identify the 1.633-MeV γ-rays following the 20F β decay for coincidence measurements in order to tag the transition of interest and to reduce backgrounds. We report on the status of the analysis. Supported in part with Awards from the NSCL PAC and the National Science Foundation under Grant No. PHY-1506084.

Measurement of the scintillation time spectra and pulse-shape discrimination of low-energy β and nuclear recoils in liquid argon with DEAP-1

DOE PAGES

Amaudruz, P. -A.; Batygov, M.; Beltran, B.; ...

2016-09-17

The DEAP-1 low-background liquid argon detector has been used to measure scintillation pulse shapes of beta decays and nuclear recoil events and to demonstrate the feasibility of pulse-shape discrimination down to an electron-equivalent energy of 20 keV ee. The relative intensities of singlet/triplet states in liquid argon have been measured as a function of energy between 15 and 500 keVee for both beta and nuclear recoils. Using a triple-coincidence tag we find the fraction of beta events that are misidentified as nuclear recoils to be less than 6 x 10 -8 between 43-86 keV ee and that the discrimination parametermore » agrees with a simple analytic model. The discrimination measurement is currently limited by nuclear recoils induced by cosmic-ray generated neutrons, and is expected to improve by operating the detector underground at SNOLAB. The analytic model predicts a beta misidentification fraction of 10 -10 for an electron-equivalent energy threshold of 20 keV ee. This reduction allows for a sensitive search for spin-independent scattering of WIMPs from 1000 kg of liquid argon with a WIMP-nucleon cross-section sensitivity of 10 -46 cm 2.« less

Measurement of the scintillation time spectra and pulse-shape discrimination of low-energy β and nuclear recoils in liquid argon with DEAP-1

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

Amaudruz, P. -A.; Batygov, M.; Beltran, B.

The DEAP-1 low-background liquid argon detector has been used to measure scintillation pulse shapes of beta decays and nuclear recoil events and to demonstrate the feasibility of pulse-shape discrimination down to an electron-equivalent energy of 20 keV ee. The relative intensities of singlet/triplet states in liquid argon have been measured as a function of energy between 15 and 500 keVee for both beta and nuclear recoils. Using a triple-coincidence tag we find the fraction of beta events that are misidentified as nuclear recoils to be less than 6 x 10 -8 between 43-86 keV ee and that the discrimination parametermore » agrees with a simple analytic model. The discrimination measurement is currently limited by nuclear recoils induced by cosmic-ray generated neutrons, and is expected to improve by operating the detector underground at SNOLAB. The analytic model predicts a beta misidentification fraction of 10 -10 for an electron-equivalent energy threshold of 20 keV ee. This reduction allows for a sensitive search for spin-independent scattering of WIMPs from 1000 kg of liquid argon with a WIMP-nucleon cross-section sensitivity of 10 -46 cm 2.« less

Atmospheric Modeling of Cool Giant and Supergiant Stars

NASA Astrophysics Data System (ADS)

Linsky, Jeffrey L.

1984-07-01

We propose to continue our collaborative program of obtaining and analysing high dispersion SWP spectra of cool stars. We request high dispersion, short wavelength IUE spectra of the stars alpha Tau (K5III), gamma Cru (M3III), epsilon Peg (K2Ib) and beta Cam (G0Ib) with exposure times of 16 hours or more. These spectra will provide measurements of line profiles, widths and Doppler shifts in addition to density-sensitive and opacity-sensitive line ratios. Models of chromospheric and transition region (where present) structure will be calculated by a combination of emission measure analysis, line opacity/probability of escape methods and model atmosphere calculations for optically thick resonance lines such as MgII h and k, including partial redistribution radiative transfer. These models will be used to investigate the atmospheric energy balance and the nature of energy transport and nonradiative energy deposition processes. The results will be considered in relation to stellar evolution and compared with the chromospheric properties of other stars previously studied by the authors and their collaborators.

Effect of aluminum on the local structure of silicon in zeolites as studied by Si K edge X-ray absorption near-edge fine structure: spectra simulation with a non-muffin tin atomic background.

PubMed

Bugaev, Lusegen A; Bokhoven, Jeroen A van; Khrapko, Valerii V

2009-04-09

Experimental Si K edge X-ray absorption near-edge fine structure (XANES) of zeolite faujasite, mordenite, and beta are interpreted by means of the FEFF8 code, replacing the theoretical atomic background mu(0) by a background that was extracted from an experimental spectrum. To some extent, this diminished the effect of the inaccuracy introduced by the MT potential and accounted for the intrinsic loss of photoelectrons. The agreement of the theoretical and experimental spectra at energies above the white lines enabled us to identify structural distortion around silicon, which occurs with increasing aluminum content. The Si K edge XANES spectra are very sensitive to slight distortions in the silicon coordination. Placing an aluminum atom on a nearest neighboring T site causes a distortion in the silicon tetrahedron, shortening one of the silicon-oxygen bonds relative to the other three.

Application of nuclear magnetic resonance spectroscopy, Fourier transform infrared spectroscopy, UV-Visible spectroscopy and kinetic modeling for elucidation of adsorption chemistry in uptake of tetracycline by zeolite beta.

PubMed

Kang, Jin; Liu, Huijuan; Zheng, Yu-Ming; Qu, Jiuhui; Chen, J Paul

2011-02-01

Extensive usage of tetracycline has resulted in its contamination in surface water and groundwater. The adsorption of tetracycline on zeolite beta was systematically investigated for the decontamination of the antibiotic polluted water in this study. Ninety percent of uptake by the zeolite beta occured in 0.25h, and the adsorption equilibrium was obtained within 3h, which was well described by an intraparticle diffusion model. The adsorption generally increased when pH was increased from 4.0 to 5.0, and then decreased significantly as the pH was further increased, which was caused by the pH-dependent speciation of tetracycline and surface charge of zeolite beta. Both Freundlich and Langmuir equations well described the adsorption isotherm. A thermodynamic analysis showed that the sorption process was spontaneous and endothermic. Aluminum atoms in the zeolite played a crucial role in the uptake; the adsorption increased with the increasing aluminum content in zeolite. The UV-Visible spectroscopy study showed that the spectra of tetracycline changed upon the interaction with zeolite beta, which could be ascribed to the formation of complexes of tetracycline and aluminum atoms in the zeolite surface. Nuclear magnetic resonance spectroscopy study further confirmed the participation of Al in the tetracycline adsorption. Fourier transform infrared spectroscopy studies showed that the amino functional groups in tetracycline were involved in the complexation with the zeolite surface. Copyright © 2010 Elsevier Inc. All rights reserved.

Electrospray ionization tandem mass spectrometry differentiation of N-phosphoryl-[alpha]-, [beta]- and [gamma]-amino acids

NASA Astrophysics Data System (ADS)

Qiang, Liming; Cao, Shuxia; Zhao, Xiaoyang; Mao, Xiangju; Guo, Yanchun; Liao, Xincheng; Zhao, Yufen

2007-10-01

The fragmentation patterns of N-diisopropyloxyphosphoryl-l-[alpha]-Ala (DIPP-l-[alpha]-Ala), N-diisopropyloxyphosphoryl-d-[alpha]-Ala (DIPP-d-[alpha]-Ala), N-diisopropyloxyphosphoryl-[beta]-Ala (DIPP-[beta]-Ala) and N-diisopropyloxyphosphoryl-[gamma]-amino butyric acid (DIPP-[gamma]-Aba) were investigated by electrospray ionization tandem mass spectrometry (ESI-MS/MS). DIPP-d-[alpha]-Ala showed the same fragmentation pathways as DIPP-l-[alpha]-Ala. In the fragmentation of protonated DIPP-[beta]-Ala, the characteristic fragment ion [M + H - 2C3H6 - H2O - CH2CO]+ appeared and could be used to distinguish [beta]-Ala from l-[alpha]-Ala and d-[alpha]-Ala through tandem mass spectra, even though they possess the same molecular weight. In the fragmentation of protonated DIPP-[gamma]-Aba, the break of PN bond occurred and an interesting protonated lactam ion with five-membered ring was generated. Furthermore, in the MS3 spectrum of [M + Na - 2C3H6]+ ion of DIPP-[gamma]-Aba, a strong intensity of unique fragment ion, namely lactam-sodium adduct with five-membered ring, was observed, which could be considered as a mark for [gamma]-amino acids. The stepwise fragmentations of their [M + Na]+ ions and [M - H]- ions showed that they all underwent a PN to PO bond migration through a five-membered or six-membered or even seven-membered ring transition state, respectively, which supported the great affinity of hydroxyl for phosphoryl group.

The reduction of CrVI to CrIII by the alpha and beta anomers of D-glucose in dimethyl sulfoxide. A comparative kinetic and mechanistic study.

PubMed

Signorella, S; Lafarga, R; Daier, V; Sala, L F

2000-02-11

The reduction of CrVI by alpha-D-glucose and beta-D-glucose was studied in dimethyl sulfoxide in the presence of pyridinium p-toluensulfonate, a medium where mutarotation is slower than the redox reaction. The two anomers reduce CrVI by formation of an intermediate CrVI ester precursor of the slow redox step. The equilibrium constant for the formation of the intermediate chromic ester and the rate of the redox steps are different for each anomer. alpha-D-Glucose forms the CrVI-Glc ester with a higher equilibrium constant than beta-D-glucose, but the electron transfer within this complex is slower than for the beta anomer. The difference is attributed to the better chelating ability of the 1,2-cis-diolate moiety of the alpha anomer. The CrV species, generated in the reaction mixture, reacts with the two anomers at a rate comparable with that of CrVI. The EPR spectra show that the alpha anomer forms several linkage isomers of the five-coordinate CrV bis-chelate, while beta-D-glucose affords a mixture of six-coordinate CrV monochelate and five-coordinate CrV bis-chelate. The conversion of the CrV mono- to bis-chelate is discussed in terms of the ability of the 1,2-cis- versus 1,2-trans-diolate moieties of the glucose anomers to bind CrV.

Modification of EEG power spectra and EEG connectivity in autobiographical memory: a sLORETA study.

PubMed

Imperatori, Claudio; Brunetti, Riccardo; Farina, Benedetto; Speranza, Anna Maria; Losurdo, Anna; Testani, Elisa; Contardi, Anna; Della Marca, Giacomo

2014-08-01

The aim of the present study was to explore the modifications of scalp EEG power spectra and EEG connectivity during the autobiographical memory test (AM-T) and during the retrieval of an autobiographical event (the high school final examination, Task 2). Seventeen healthy volunteers were enrolled (9 women and 8 men, mean age 23.4 ± 2.8 years, range 19-30). EEG was recorded at baseline and while performing the autobiographical memory (AM) tasks, by means of 19 surface electrodes and a nasopharyngeal electrode. EEG analysis was conducted by means of the standardized LOw Resolution Electric Tomography (sLORETA) software. Power spectra and lagged EEG coherence were compared between EEG acquired during the memory tasks and baseline recording. The frequency bands considered were as follows: delta (0.5-4 Hz); theta (4.5-7.5 Hz); alpha (8-12.5 Hz); beta1 (13-17.5 Hz); beta2 (18-30 Hz); gamma (30.5-60 Hz). During AM-T, we observed a significant delta power increase in left frontal and midline cortices (T = 3.554; p < 0.05) and increased EEG connectivity in delta band in prefrontal, temporal, parietal, and occipital areas, and for gamma bands in the left temporo-parietal regions (T = 4.154; p < 0.05). In Task 2, we measured an increased power in the gamma band located in the left posterior midline areas (T = 3.960; p < 0.05) and a significant increase in delta band connectivity in the prefrontal, temporal, parietal, and occipital areas, and in the gamma band involving right temporo-parietal areas (T = 4.579; p < 0.05). These results indicate that AM retrieval engages in a complex network which is mediated by both low- (delta) and high-frequency (gamma) EEG bands.

Modifications of EEG power spectra in mesial temporal lobe during n-back tasks of increasing difficulty. A sLORETA study.

PubMed

Imperatori, Claudio; Farina, Benedetto; Brunetti, Riccardo; Gnoni, Valentina; Testani, Elisa; Quintiliani, Maria I; Del Gatto, Claudia; Indraccolo, Allegra; Contardi, Anna; Speranza, Anna M; Della Marca, Giacomo

2013-01-01

The n-back task is widely used to investigate the neural basis of Working Memory (WM) processes. The principal aim of this study was to explore and compare the EEG power spectra during two n-back tests with different levels of difficulty (1-back vs. 3-back). Fourteen healthy subjects were enrolled (seven men and seven women, mean age 31.21 ± 7.05 years, range: 23-48). EEG was recorded while performing the N-back test, by means of 19 surface electrodes referred to joint mastoids. EEG analysis were conducted by means of the standardized Low Resolution brain Electric Tomography (sLORETA) software. The statistical comparison between EEG power spectra in the two conditions was performed using paired t-statistics on the coherence values after Fisher's z transformation available in the LORETA program package. The frequency bands considered were: delta (0.5-4 Hz); theta (4.5-7.5 Hz); alpha (8-12.5 Hz); beta (13-30 Hz); gamma (30.5-100 Hz). Significant changes occurred in the delta band: in the 3-back condition an increased delta power was localized in a brain region corresponding to the Brodmann Area (BA) 28 in the left posterior entorhinal cortex (T = 3.112; p < 0.05) and in the BA 35 in the left perirhinal cortex in the parahippocampal gyrus (T = 2.876; p < 0.05). No significant differences were observed in the right hemisphere and in the alpha, theta, beta, and gamma frequency bands. Our results indicate that the most prominent modification induced by the increased complexity of the task occur in the mesial left temporal lobe structures.

Design optimization of beta- and photovoltaic conversion devices

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

Wichner, R.; Blum, A.; Fischer-Colbrie, E.

1976-01-08

This report presents the theoretical and experimental results of an LLL Electronics Engineering research program aimed at optimizing the design and electronic-material parameters of beta- and photovoltaic p-n junction conversion devices. To meet this objective, a comprehensive computer code has been developed that can handle a broad range of practical conditions. The physical model upon which the code is based is described first. Then, an example is given of a set of optimization calculations along with the resulting optimized efficiencies for silicon (Si) and gallium-arsenide (GaAs) devices. The model we have developed, however, is not limited to these materials. Itmore » can handle any appropriate material--single or polycrystalline-- provided energy absorption and electron-transport data are available. To check code validity, the performance of experimental silicon p-n junction devices (produced in-house) were measured under various light intensities and spectra as well as under tritium beta irradiation. The results of these tests were then compared with predicted results based on the known or best estimated device parameters. The comparison showed very good agreement between the calculated and the measured results.« less

Bioactivities and chemical constituents of a Vietnamese medicinal plant Che Vang, Jasminum subtriplinerve Blume (Oleaceae).

PubMed

Ngan, Dai Hue; Hoai, Ho Thi Cam; Huong, Le Mai; Hansen, Poul Erik; Vang, Ole

2008-01-01

Five crude extracts were made from leaves and stems of Jasminum subtriplinerve Blume (Oleaceae) and investigated for antimicrobial, antioxidant and cytotoxic activities. The extractions were done with petroleum ether, ethyl acetate, ethanol, methanol or water. All extracts exhibited anti-bacterial activity except the water fraction. On the other hand, all extracts exhibit antioxidant activity except the petroleum ether fraction using the DPPH radical scavenging assay. Only the petroleum ether fraction showed a cytotoxicity activity against tested cell-lines, Hep-G2 and RD with IC(50) values of 19.2 and 20 microg mL(-1), respectively. From the petroleum ether and ethyl acetate extracts, two triterpenes namely 3beta-acetyl-oleanolic acid and lup-20-en-3beta-ol and a sterol, stigmast-5-en-3beta-ol were isolated. The structure of those compounds were elucidated by spectrometric methods IR, MS, 1D-NMR, 2D-NMR and simulated ACD/NMR spectra. The data presented here indicate that J. subtriplinerve do contain compounds with interesting biological activity.

Tom Bonner Prize Lecture: The Beta Spectrum of Tritium and the Problem of Neutrino Mass

NASA Astrophysics Data System (ADS)

Robertson, R. G. Hamish

1997-04-01

Enrico Fermi showed more than 60 years ago that the shape of beta spectra was sensitive to the mass of the unobserved particle, the neutrino, proposed by Wolfgang Pauli. With the discovery of tritium and its small decay energy, increasingly stringent limits were placed on the electron antineutrino mass. A roadblock at about 50 eV, namely the atomic and molecular structure of tritium-containing substances, was surmounted in the 1980s with the development at Los Alamos of methods for high-resolution beta spectroscopy with gases, together with worldwide theoretical work on the structure of diatomic T2 and T^3He^+. It was then possible to reach the very interesting region of cosmological relevance below 20 eV. An unexpected and strange new roadblock has now been encountered in all experiments on T_2. The spectrum near the endpoint is not consistent with theory either with or without neutrino mass. The questions now are, do the experiments all report the same phenomenon, and (if so) is it atomic theory, particle theory, or perhaps cosmology that needs repair?

Distinguishing polymorphs of the semiconducting pigment copper phthalocyanine by solid-state NMR and Raman spectroscopy.

PubMed

Shaibat, Medhat A; Casabianca, Leah B; Siberio-Pérez, Diana Y; Matzger, Adam J; Ishii, Yoshitaka

2010-04-08

Cu(II)(phthalocyanine) (CuPc) is broadly utilized as an archetypal molecular semiconductor and is the most widely used blue printing pigment. CuPc crystallizes in six different forms; the chemical and physical properties are substantially modulated by its molecular packing among these polymorphs. Despite the growing importance of this system, spectroscopic identification of different polymorphs for CuPc has posed difficulties. This study presents the first example of spectroscopic distinction of alpha- and beta-forms of CuPc, the most widely used polymorphs, by solid-state NMR (SSNMR) and Raman spectroscopy. (13)C high-resolution SSNMR spectra of alpha- and beta-CuPc using very-fast magic angle spinning (VFMAS) at 20 kHz show that hyperfine shifts sensitively reflect polymorphs of CuPc. The experimental results were confirmed by ab initio chemical shift calculations. (13)C and (1)H SSNMR relaxation times of alpha- and beta-CuPc under VFMAS also showed marked differences, presumably because of the difference in electronic spin correlation times in the two forms. Raman spectroscopy also provided another reliable method of differentiation between the two polymorphs.

Single photon radioluminescence. I. Theory and spectroscopic properties.

PubMed Central

Bicknese, S; Shahrokh, Z; Shohet, S B; Verkman, A S

1992-01-01

The excitation of a fluorescent molecule by a beta-decay electron (radioluminescence) depends upon the electron energy, the distance between radioactive 'donor' and fluorescent 'acceptor', and the excitation characteristics and solvent environment of the fluorophore. The theory for calculation of single photon radioluminescence (SPR) signals is developed here; in the accompanying paper, measurement methods and biological applications are presented. To calculate the three-dimensional spatial profile for electron energy deposition in an aqueous environment, a Monte Carlo calculation was performed incorporating theories of electron energy distributions, energy loss due to interactions with matter, and deflections in electron motion due to collisions. For low energy beta emitters, 50% of energy deposition occurs within 0.63 micron (3H, 18.5 keV), 22 microns (14C, 156 keV), 25 microns (35S, 167 keV), and 260 microns (36Cl, 712 keV) of the radioisotope. In close proximity to the beta emitter (100 nm, 3H; 10 microns, 14C) the probability for fluorophore excitation is approximately proportional to the inverse square of the distance between the beta emitter and fluorophore. To investigate the other factors that determine the probability for fluorophore excitation, SPR measurements were carried out in solutions containing 3H and a series of fluorophores in different solvents. In water, the probability of fluorescence excitation was nearly proportional to the integrated absorbance over a > 1,000-fold variation in absorbances. The probability of fluorescence excitation was enhanced up to 2,600-fold when the fluorophore was in a "scintillant" aromatic or hydrocarbon solvent. SPR emission spectra were similar to fluorescence emission spectra obtained with photon excitation. The single photon signal due to Bremsstrahlung increased with wavelength in agreement with theory. The distance dependence for the SPR signal predicted by the model was in good agreement with measurements in which a 14C donor was separated by known thicknesses of water from a fluorescently-coated coverglass. Quantitative predictions for radioluminescence signal as a function of donor-acceptor distance were developed for specific radioisotope-fluorophore geometries in biological samples. Images FIGURE 1 PMID:1477277

Advanced Spectral Library (ASTRAL): Atomic Fluorescence in Cool, Evolved Stars

NASA Astrophysics Data System (ADS)

Carpenter, Ken G.; Nielsen, Krister E.; Kober, Gladys V.; Rau, Gioia

2018-01-01

The "Advanced Spectral Library (ASTRAL) Project: Cool Stars" (PI = T. Ayres) collected a definitive set of representative, high-resolution (R~46,000 in the FUV up to ~1700 Å, R~30,000 for 1700-2150 Å, and R~114,000 >2150 Å) and high signal/noise (S/N>100) UV spectra of eight F-M evolved cool stars. These extremely high-quality STIS UV echelle spectra are available from the HST archive and from the Univ. of Colorado (http://casa.colorado.edu/~ayres/ASTRAL/) and will enable investigations of a broad range of problems -- stellar, interstellar, and beyond -- for many years. In this paper, we extend our study of the very rich emission-line spectra of the four evolved K-M stars in the sample, Beta Gem (K0 IIIb), Gamma Dra (K5 III), Gamma Cru (M3.4 III), and Alpha Ori (M2 Iab), to study the atomic fluorescence processes operating in their outer atmospheres. We summarize the pumping transitions and fluorescent line products known on the basis of previous work (e.g. Carpenter 1988, etc.) and newly identified in our current, on-going analysis of these extraordinary ASTRAL STIS spectra.

Effects of structure distortion on optical phonon properties of crystalline beta-BaTeMo{sub 2}O{sub 9}—A novel nonlinear optical material: Infrared and Raman spectra as well as first-principles calculations

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

Zhou, S. T.; Huang, Y.; Qiu, W. Y.

2013-12-21

The infrared dielectric property of monoclinic BaTeMo{sub 2}O{sub 9} single crystals is studied by polarized IR reflectance spectra from 20 to 1800 cm{sup −1}. Based on the modified Lorentz model, the frequencies, strengths, and dampings of TO modes as well as the orientations of the dipole momenta are determined, agreeing well with Raman spectra and results from First-principles calculation. The observed modes are visually assigned to the specific atoms' motions in the primitive cell based on the theory calculations. A large shift of the internal modes of the anion groups relative to free anion co-ordination polyhedra is observed, which can bemore » used to indicate the distortions of co-ordination polyhedra related to the nonlinear optical properties. Further, the experimental results of the strengths of the oscillators support the elimination and splitting of degenerate modes in free regular polyhedrons. These results offer a way to evaluate the nonlinear optical properties by use of traditional IR reflectivity spectra.« less

Structural characterization by NMR of the natively unfolded extracellular domain of beta-dystroglycan: toward the identification of the binding epitope for alpha-dystroglycan.

PubMed

Bozzi, Manuela; Bianchi, Marzia; Sciandra, Francesca; Paci, Maurizio; Giardina, Bruno; Brancaccio, Andrea; Cicero, Daniel O

2003-11-25

Dystroglycan (DG) is an adhesion molecule playing a crucial role for tissue stability during both early embriogenesis and adulthood and is composed by two tightly interacting subunits: alpha-DG, membrane-associated and highly glycosylated, and the transmembrane beta-DG. Recently, by solid-phase binding assays and NMR experiments, we have shown that the C-terminal domain of alpha-DG interacts with a recombinant extracellular fragment of beta-DG (positions 654-750) independently from glycosylation and that the linear binding epitope is located between residues 550 and 565 of alpha-DG. In order to elucidate which moieties of beta-DG are specifically involved in the complex with alpha-DG, the ectodomain has been recombinantly expressed and purified in a labeled ((13)C,(15)N) form and studied by multidimensional NMR. Although it represents a natively unfolded protein domain, we obtained an almost complete backbone assignment. Chemical shift index, (1)H-(15)N heteronuclear single-quantum coherence and nuclear Overhauser effect (HSQC-NOESY) spectra and (3)J(HN,H)(alpha) coupling constant values confirm that this protein is highly disordered, but (1)H-(15)N steady-state NOE experiments indicate that the protein presents two regions of different mobility. The first one, between residues 659 and 722, is characterized by a limited degree of mobility, whereas the C-terminal portion, containing about 30 amino acids, is highly flexible. The binding of beta-DG(654-750) to the C-terminal region of the alpha subunit, alpha-DG(485-620), has been investigated, showing that the region of beta-DG(654-750) between residues 691 and 719 is involved in the interaction.

Peroxidative metabolism of beta2-agonists salbutamol and fenoterol and their analogues.

PubMed

Reszka, Krzysztof J; McGraw, Dennis W; Britigan, Bradley E

2009-06-01

Phenolic beta(2)-adrenoreceptor agonists salbutamol, fenoterol, and terbutaline relax smooth muscle cells that relieve acute airway bronchospasm associated with asthma. Why their use sometimes fails to relieve bronchospasm and why the drugs appear to be less effective in patients with severe asthma exacerbations remains unclear. We show that in the presence of hydrogen peroxide, both myeloperoxidase, secreted by activated neutrophils present in inflamed airways, and lactoperoxidase, which is naturally present in the respiratory system, catalyze oxidation of these beta(2)-agonists. Azide, cyanide, thiocyanate, ascorbate, glutathione, and methimazole inhibited this process, while methionine was without effect. Inhibition by ascorbate and glutathione was associated with their oxidation to corresponding radical species by the agonists' derived phenoxyl radicals. Using electron paramagnetic resonance (EPR), we detected free radical metabolites from beta(2)-agonists by spin trapping with 2-methyl-2-nitrosopropane (MNP). Formation of these radicals was inhibited by pharmacologically relevant concentrations of methimazole and dapsone. In alkaline buffers, radicals from fenoterol and its structural analogue, metaproteronol, were detected by direct EPR. Analysis of these spectra suggests that oxidation of fenoterol and metaproterenol, but not terbutaline, causes their transformation through intramolecular cyclization by addition of their amino nitrogen to the aromatic ring. Together, these results indicate that phenolic beta(2)-agonists function as substrates for airway peroxidases and that the resulting products differ in their structural and functional properties from their parent compounds. They also suggest that these transformations can be modulated by pharmacological approaches using appropriate peroxidase inhibitors or alternative substrates. These processes may affect therapeutic efficacy and also play a role in adverse reactions of the beta(2)-agonists.

[Electronic spectra of triphenodioxazines dyes by modified PPP-MO method].

PubMed

Wang, Xue-jie

2002-02-01

The triphenodioxazines dyes have good colour and luster, excellent colour fastness to light, and strong painted. They are used as the dyes and pigment extensively, and also be used as the photoelectronic transformation, laser dyes and far-infrared anti-radiation material. The colour and constitution of triphenodioxazines dyes were evaluated by means of the modified PPP-SCF-MO method with variable R, beta approximation. The calculated wavelengths of maximum absorption are in good agreement with experimental results. It was found that there exists a good correlated relationship between the wavenumber of fluorescence maximum nu fl and the calculated fluorescence emission energy delta Efl, as nu fl = 11.6837 delta Efl + 3.3485(k.cm-1), r = 0.9547. The relationship between structure of molecular and properties of electronic spectra has been discussed.

Dust disks around Vega-type stars

NASA Astrophysics Data System (ADS)

Chini, R.; Kruegel, E.; Kreysa, E.; Shustov, B.; Tutukov, A.

1991-12-01

This study presents 1300-micron observations of the circumstellar dust around Vega-type stars. A comparison of the new data (24-arcsec HPBW) for Alpha PsA, Tau-1 Eri and Epsilon Eri with previous measurements made at an angular resolution of 11-arcsec shows that the dust emission is extended. From measurements at different positions it is concluded that the circumstellar dust around Beta Pic does not exceed the size of the optical disk of 500 AU. A model for Beta Pic that fits optical as well as IR data is discussed. Finally, a scenario for the evolution of circumstellar grains is suggested where, on one side, the Poynting-Robertson effect removes the small particles and, on the other side, collisions lead to the formation of larger bodies. Time-dependent IR spectra in reasonable agreement with observations are presented.

The 1984 eclipse of the symbiotic binary SY Muscae

NASA Technical Reports Server (NTRS)

Kenyon, S. J.; Michalitisianos, A. G.; Lutz, J. H.; Kafatos, M.

1985-01-01

Data from IUE spectra obtained with the 10 x 20-arcsec aperture on May 13, 1984, and optical spectrophotometry obtained with an SIT vidicon on the 1.5-m telescope at CTIO on April 29-May 1, 1984, are reported for the symbiotic binary SY Mus. The data are found to be consistent with a model of a red-giant secondary of 60 solar radii which completely eclipses the hot primary every 627 d but only partially eclipses the 75-solar-radius He(+) region surrounding the primary. The distance to SY Mus is estimated as 1.3 kpc. It is suggested that the large Balmer decrement in eclipse, with (H-alpha)/(H-beta) = 8.3 and (H-beta)/(H-gamma) = 1.5, is associated with an electron density of about 10 to the 10th/cu cm.

ATP-Induced phosphorylation of the sarcoplasmic reticulum Ca2+ ATPase: molecular interpretation of infrared difference spectra.

PubMed Central

Barth, A; Mäntele, W

1998-01-01

Time-resolved infrared difference spectra of the ATP-induced phosphorylation of the sarcoplasmic reticulum Ca2+-ATPase have been recorded in H2O and 2H2O at pH 7.0 and 1 degrees C. The reaction was induced by ATP release from P3-1-(2-nitro)phenylethyladenosine 5'-triphosphate (caged ATP) and from [gamma-18O3]caged ATP. A band at 1546 cm-1, not observed with the deuterated enzyme, can be assigned to the amide II mode of the protein backbone and indicates that a conformational change associated with ATPase phosphorylation takes place after ATP binding. This is also indicated between 1700 and 1610 cm-1, where bandshifts of up to 10 cm-1 observed upon protein deuteration suggest that amide I modes of the protein backbone dominate the difference spectrum. From the band positions it is deduced that alpha-helical, beta-sheet, and probably beta-turn structures are affected in the phosphorylation reaction. Model spectra of acetyl phosphate, acetate, ATP, and ADP suggest the tentative assignment of some of the bands of the phosphorylation spectrum to the molecular groups of ATP and Asp351, which participate directly in the phosphate transfer reaction: a positive band at 1719 cm-1 to the C==O group of aspartyl phosphate, a negative band at 1239 cm-1 to the nuas(PO2-) modes of the bound ATP molecule, and a positive band at 1131 cm-1 to the nuas(PO32-) mode of the phosphoenzyme phosphate group, the latter assignment being supported by the band's sensitivity toward isotopic substitution in the gamma-phosphate of ATP. Band positions and shapes of these bands indicate that the alpha- and/or beta-phosphate(s) of the bound ATP molecule become partly dehydrated when ATP binds to the ATPase, that the phosphoenzyme phosphate group is unprotonated at pH 7.0, and that the C==O group of aspartyl phosphate does not interact with bulk water. The Ca2+ binding sites seem to be largely undisturbed by the phosphorylation reaction, and a functional role of the side chains of Asn, Gln, and Arg residues was not detected. PMID:9649416

Comparative evaluation of bioactivity of crystalline trypsin for drying by Fourier-transformed infrared spectroscopy.

PubMed

Otsuka, Makoto; Fukui, Yuya; Ozaki, Yukihiro

2009-03-01

The purpose of this study was to evaluate the enzymatic stability of colloidal trypsin powder during heating in a solid-state by using Fourier transform infrared (FT-IR) spectra with chemoinformatics and generalized two-dimensional (2D) correlation spectroscopy. Colloidal crystalline trypsin powders were heated using differential scanning calorimetry. The enzymatic activity of trypsin was assayed by the kinetic degradation method. Spectra of 10 calibration sample sets were recorded three times with a FT-IR spectrometer. The maximum intensity at 1634cm(-1) of FT-IR spectra and enzymatic activity of trypsin decreased as the temperature increased. The FT-IR spectra of trypsin samples were analyzed by a principal component regression analysis (PCR). A plot of the calibration data obtained was made between the actual and predicted trypsin activity based on a two-component model with gamma(2)=0.962. On the other hand, a 2D method was applied to FT-IR spectra of heat-treated trypsin. The result was consistent with that of the chemoinformetrical method. The results for deactivation of colloidal trypsin powder by heat-treatment indicated that nano-structure of crystalline trypsin changed by heating reflecting that the beta-sheet was mainly transformed, since the peak at 1634cm(-1) decreased with dehydration. The FT-IR chemoinformetrical method allows for a solid-state quantitative analysis of the bioactivity of the bulk powder of trypsin during drying.

Oscillator strengths for ionized iron and manganese

NASA Technical Reports Server (NTRS)

De Boer, K. S.; Pottasch, S. R.; Morton, D. C.; York, D. G.

1974-01-01

The observed strengths of interstellar absorption lines of Fe II and Mn II in the spectra of alpha Vir, beta Cen, pi Sco, and zeta Oph along with laboratory f values of some of these lines between 2343 and 2606 A have been used to determine curves of growth for these ions and the f-values of ten lines of Fe II and three lines of Mn II between 1055 and 1261 A. The Fe and Mn abundances are derived.

Evaluation of photostability of solid-state nicardipine hydrochloride polymorphs by using Fourier-transformed reflection-absorption infrared spectroscopy - effect of grinding on the photostability of crystal form.

PubMed

Teraoka, Reiko; Otsuka, Makoto; Matsuda, Yoshihisa

2004-11-22

Photostability and physicochemical properties of nicardipine hydrochloride polymorphs (alpha- and beta-form) were studied by using Fourier-transformed reflection-absorption infrared spectroscopy (FT-IR-RAS) of the tablets, X-ray powder diffraction analysis, differential scanning calorimetry (DSC), and color difference measurement. It was clear from the results of FT-IR-RAS spectra after irradiation that nicardipine hydrochloride in the solid state decomposed to its pyridine derivative when exposed to light. The photostability of the ground samples of two forms was also measured in the same manner. The two crystalline forms of the drug changed to nearly amorphous form after 150 min grinding in a mixer mill. X-ray powder diffraction patterns of those ground samples showed almost halo patterns. The nicardipine hydrochloride content on the surface of the tablet was determined based on the absorbance at 1700 cm(-1) attributable to the C=O stretch vibration in FT-IR-RAS spectra before and after irradiation by fluorescent lamp (3500 lx). The photodegradation followed apparently the first-order kinetics for any sample. The apparent photodegradation rate constant of beta-form was greater than that of alpha-form. The ground samples decomposed rapidly under the same light irradiation as compared with the intact crystalline forms. The photodegradation rate constant decreased with increase of the heat of fusion. copyright 2004 Elsevier B.V.

Simulation of decay processes and radiation transport times in radioactivity measurements

NASA Astrophysics Data System (ADS)

García-Toraño, E.; Peyres, V.; Bé, M.-M.; Dulieu, C.; Lépy, M.-C.; Salvat, F.

2017-04-01

The Fortran subroutine package PENNUC, which simulates random decay pathways of radioactive nuclides, is described. The decay scheme of the active nuclide is obtained from the NUCLEIDE database, whose web application has been complemented with the option of exporting nuclear decay data (possible nuclear transitions, branching ratios, type and energy of emitted particles) in a format that is readable by the simulation subroutines. In the case of beta emitters, the initial energy of the electron or positron is sampled from the theoretical Fermi spectrum. De-excitation of the atomic electron cloud following electron capture and internal conversion is described using transition probabilities from the LLNL Evaluated Atomic Data Library and empirical or calculated energies of released X rays and Auger electrons. The time evolution of radiation showers is determined by considering the lifetimes of nuclear and atomic levels, as well as radiation propagation times. Although PENNUC is designed to operate independently, here it is used in conjunction with the electron-photon transport code PENELOPE, and both together allow the simulation of experiments with radioactive sources in complex material structures consisting of homogeneous bodies limited by quadric surfaces. The reliability of these simulation tools is demonstrated through comparisons of simulated and measured energy spectra from radionuclides with complex multi-gamma spectra, nuclides with metastable levels in their decay pathways, nuclides with two daughters, and beta plus emitters.

Muon detection studied by pulse-height energy analysis: Novel converter arrangements.

PubMed

Holmlid, Leif; Olafsson, Sveinn

2015-08-01

Muons are conventionally measured by a plastic scintillator-photomultiplier detector. Muons from processes in ultra-dense hydrogen H(0) are detected here by a novel type of converter in front of a photomultiplier. The muon detection yield can be increased relative to that observed with a plastic scintillator by at least a factor of 100, using a converter of metal, semiconductor (Ge), or glass for interaction with the muons penetrating through the metal housing of the detector. This detection process is due to transient formation of excited nuclei by the well-known process of muon capture, giving beta decay. The main experimental results shown here are in the form of beta electron energy spectra detected directly by the photomultiplier. Events which give a high-energy tail in the energy spectra are probably due to gamma photons from the muons. Sharp and intense x-ray peaks from a muonic aluminium converter or housing material are observed. The detection conversion in glass and Ge converters has a time constant of the order of many minutes to reach the final conversion level, while the process in metal converters is stabilized faster. The time constants are not due to lifetimes of the excited nuclei or neutrons but are due to internal charging in the insulating converter material. Interaction of this charging with the high voltage in the photomultiplier is observed.

Muon detection studied by pulse-height energy analysis: Novel converter arrangements

NASA Astrophysics Data System (ADS)

Holmlid, Leif; Olafsson, Sveinn

2015-08-01

Muons are conventionally measured by a plastic scintillator-photomultiplier detector. Muons from processes in ultra-dense hydrogen H(0) are detected here by a novel type of converter in front of a photomultiplier. The muon detection yield can be increased relative to that observed with a plastic scintillator by at least a factor of 100, using a converter of metal, semiconductor (Ge), or glass for interaction with the muons penetrating through the metal housing of the detector. This detection process is due to transient formation of excited nuclei by the well-known process of muon capture, giving beta decay. The main experimental results shown here are in the form of beta electron energy spectra detected directly by the photomultiplier. Events which give a high-energy tail in the energy spectra are probably due to gamma photons from the muons. Sharp and intense x-ray peaks from a muonic aluminium converter or housing material are observed. The detection conversion in glass and Ge converters has a time constant of the order of many minutes to reach the final conversion level, while the process in metal converters is stabilized faster. The time constants are not due to lifetimes of the excited nuclei or neutrons but are due to internal charging in the insulating converter material. Interaction of this charging with the high voltage in the photomultiplier is observed.

Muon detection studied by pulse-height energy analysis: Novel converter arrangements

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

Holmlid, Leif, E-mail: holmlid@chem.gu.se; Olafsson, Sveinn

2015-08-15

Muons are conventionally measured by a plastic scintillator–photomultiplier detector. Muons from processes in ultra-dense hydrogen H(0) are detected here by a novel type of converter in front of a photomultiplier. The muon detection yield can be increased relative to that observed with a plastic scintillator by at least a factor of 100, using a converter of metal, semiconductor (Ge), or glass for interaction with the muons penetrating through the metal housing of the detector. This detection process is due to transient formation of excited nuclei by the well-known process of muon capture, giving beta decay. The main experimental results shownmore » here are in the form of beta electron energy spectra detected directly by the photomultiplier. Events which give a high-energy tail in the energy spectra are probably due to gamma photons from the muons. Sharp and intense x-ray peaks from a muonic aluminium converter or housing material are observed. The detection conversion in glass and Ge converters has a time constant of the order of many minutes to reach the final conversion level, while the process in metal converters is stabilized faster. The time constants are not due to lifetimes of the excited nuclei or neutrons but are due to internal charging in the insulating converter material. Interaction of this charging with the high voltage in the photomultiplier is observed.« less

[Cellulose acetate membrane electrophoresis CAE and Raman spectroscopy as a method identification of beta-glucans, used as biologically and therapeutically active biomaterials].

PubMed

Pielesz, Anna; Biniaś, Włodzimierz; Paluch, Jadwiga

2012-01-01

The formation of AGEs progressively increases with normal aging, even in the absence of disease (the pathogenesis of diabetes associated vascular disorders and neurodegenerative diseases, including Alzheimer's disease, Parkinson's disease). However, they are formed at accelerated rates in age-related diseases. The polysaccharides might play a role in wound healing, both internally and externally, and also that they could play a role against inflammation and may lead to the production of better medicines to be used as supplements in cancer treatment. The acid hydrolysis was studied with H2SO4 at 80% concentration to determine the most effective procedure for total hydrolysis of beta-glucan. The standard of beta-glucans acid hydrolysate were compared for commercial oat and oatmeal, mushrooms: Pleurotus ostreatus, Fungus and yeast Saccharomyces cerevisiae. The following materials and reagents were used in the examination: reference beta-(1 --> 3)-(1 --> 6)-glucan, oat and oatmeal, mushrooms: Pleurotus ostreatus, Fungus and yeast Saccharomyces cerevisiae. The Raman spectra of the sample solutions (beta-glucan acid hydrolysates) were recorded on a MAGNA-IR 860 with FT-Raman accessory. Sample was irradiated with a 1064 nm line of the T10-8S Nd spectra-physics model: YAG laser and scattered radiation were collected at 180 degrees, using 4 cm(-1) resolution. The polysaccharide was hydrolyzed into component monosaccharides with 80% H2SO4 at 0 degrees C for 30 minutes and monosaccharide derivatives were subjected to electrophoresis, as in a ealier authors study, on a strip of cellulose acetate membrane (CA-SYS-MINI Cellulose Acetate Systems) in 0.2 M Ca(OAc)2 (pH 7.5) at 10 mA, max. 240 V for 1.5 h. The strips were stained with 0.5% toluidine blue in 3% HOAc solution and then rinsed in distilled water and air-dried. A part of the hexoses (for example glucose) are converted, to products such as 5-hydroxymethylfurfural. Various coloured substances, through the Maillard reaction have been reported for saccharides. The resulting mono- and oligosaccharides were analysed by cellulose acetate membrane electrophoresis CAE and Raman spectroscopy. Individual bands or CAE spots were selected to monitor the sugar content in medical plant cell walls and to confirm the identity of the analysed sample: oat and oatmeal, mushrooms: Pleurotus ostreatus, Fungus and yeast Saccharomyces cerevisiae. The possibility of a taxonomic classification of products rich in cell-wall materials based on cellulose acetate membrane electrophoresis CAE and Raman spectroscopy for authentication and detection of adulteration of products are discussed.

Interhemispheric EEG differences in olfactory bulbectomized rats with different cognitive abilities and brain beta-amyloid levels.

PubMed

Bobkova, Natalia; Vorobyov, Vasily; Medvinskaya, Natalia; Aleksandrova, Irina; Nesterova, Inna

2008-09-26

Alterations in electroencephalogram (EEG) asymmetry and deficits in interhemispheric integration of information have been shown in patients with Alzheimer's disease (AD). However, no direct evidence of an association between EEG asymmetry, morphological markers in the brain, and cognition was found either in AD patients or in AD models. In this study we used rats with bilateral olfactory bulbectomy (OBX) as one of the AD models and measured their learning/memory abilities, brain beta-amyloid levels and EEG spectra in symmetrical frontal and occipital cortices. One year after OBX or sham-surgery, the rats were tested with the Morris water paradigm and assigned to three groups: sham-operated rats, SO, and OBX rats with virtually normal, OBX(+), or abnormal, OBX(-), learning (memory) abilities. In OBX vs. SO, the theta EEG activity was enhanced to a higher extent in the right frontal cortex and in the left occipital cortex. This produced significant interhemispheric differences in the frontal cortex of the OBX(-) rats and in the occipital cortex of both OBX groups. The beta1 EEG asymmetry in SO was attenuated in OBX(+) and completely eliminated in OBX(-). OBX produced highly significant beta2 EEG decline in the right frontal cortex, with OBX(-)>OBX(+) rank order of strength. The beta-amyloid level, examined by post-mortem immunological DOT-analysis in the cortex-hippocampus samples, was about six-fold higher in OBX(-) than in SO, but significantly less (enhanced by 82% vs. SO) in OBX(+) than in OBX(-). The involvement of the brain mediatory systems in the observed EEG asymmetry differences is discussed.

Fabry-Perot Observations of [OI]6300, Hα, H-Beta, and NH2 Emissions from Comet Hyakutake C/1996B2

NASA Astrophysics Data System (ADS)

Scherb, F.; Roesler, F. L.; Tufte, S.; Haffner, M.

1996-05-01

During the period 16-23 March 1996, observations of Comet Hyakutake were carried out with the new WHAM facility at the University of Wisconsin Pine Bluff Observatory, near Madison. WHAM is a second-generation double-Fabry-Perot/CCD spectrometer that is more than ten times as efficient as our previous large-aperture Fabry-Perot instruments. Specifications of WHAM in the spectral mode are: a 1-degree field of view (FOV) on the sky, 10 km/sec velocity resolution, 200 km/sec range, and 20 sigma detection of a 1-Rayleigh H-alpha emission line in about 30 seconds. WHAM can also operate in a mode in which an image of an emission source over a 1-degree FOV can be obtained at a spectral resolution of about 10 km/sec. Spectra of cometary [OI]6300, H-alpha, H-beta, and NH2 emissions were obtained with the FOV centered on the comet head and also located 3/4 degree sunward of the comet head, repectively. This was the first time that cometary H-beta emission has been detected. Images of cometary [OI]6300 and NH2 emissions were obtained with the FOV centered on the comet head. The interpretation of these observations using coma gas dynamic and photochemical models yields values of the H2O production rate from both the [OI]6300 and H-alpha data. Comparison of the cometary H-alpha and H-beta intensities provides unique ground-based information on the EUV solar Lyman-beta and Lyman-gamma emission lines. These results will be presented.

A triple-crystal phoswich detector with digital pulse shape discrimination for alpha/beta/gamma spectroscopy

NASA Astrophysics Data System (ADS)

White, Travis L.; Miller, William H.

1999-02-01

Researchers at the University of Missouri - Columbia have developed a three-crystal phoswich detector coupled to a digital pulse shape discrimination system for use in alpha/beta/gamma spectroscopy. Phoswich detectors use a sandwich of scintillators viewed by a single photomultiplier tube to simultaneously detect multiple types of radiation. Separation of radiation types is based upon pulse shape difference among the phosphors, which has historically been performed with analog circuitry. The system uses a GaGe CompuScope 1012, 12 bit, 10 MHz computer-based oscilloscope that digitally captures the pulses from a phoswich detector and subsequently performs pulse shape discrimination with cross-correlation analysis. The detector, based partially on previous phoswich designs by Usuda et al., uses a 10 mg/cm 2 thick layer of ZnS(Ag) for alpha detection, followed by a 0.254 cm CaF 2(Eu) crystal for beta detection, all backed by a 2.54 cm NaI(Tl) crystal for gamma detection. Individual energy spectra and count rate information for all three radiation types are displayed and updated periodically. The system shows excellent charged particle discrimination with an accuracy of greater than 99%. Future development will include a large area beta probe with gamma-ray discrimination, systems for low-energy photon detection (e.g. Bremsstrahlung or keV-range photon emissions), and other health physics instrumentation.

Overexpression of G6PD and HSP90 Beta in Mice with Benzene Exposure Revealed by Serum Peptidome Analysis

PubMed Central

Zhang, Juan; Tan, Kehong; Meng, Xing; Yang, Wenwen; Wei, Haiyan; Sun, Rongli; Yin, Lihong; Pu, Yuepu

2015-01-01

The small peptides representation of the original proteins are a valuable source of information that can be used as biomarkers involved in toxicity mechanism for chemical exposure. The aim of this study is to investigate serum peptide biomarkers of benzene exposure. C57BL/6 mice were enrolled into control group and benzene groups of 150 and 300 mg/kg/d Serum peptides were identified by mass spectrometry using an assisted laser desorption ionization/time of flight mass spectrometry (MS). Differential peptide spectra were obtained by tandem mass spectrometry and analyzed by searching the International Protein Index using the Sequest program. Forty-one peptide peaks were found in the range of 1000–10,000 Da molecular weight. Among them, seven peaks showed significantly different expression between exposure groups and control group. Two peptide peaks (1231.2 and 1241.8), which showed a two-fold increase in expression, were sequenced and confirmed as glucose 6-phosphate dehydrogenase (G6PD) and heat shock protein 90 Beta (HSP90 Beta), respectively. Furthermore, the expression of the two proteins in liver cells showed the same trend as in serum. In conclusion, G6PD and HSP90 beta might be the candidate serum biomarkers of benzene exposure. It also provided possible clues for the molecular mechanism of benzene-induced oxidative stress. PMID:26378550

Analysis of volatile secondary metabolites from Colombian Xylopia aromatica (Lamarck) by different extraction and headspace methods and gas chromatography.

PubMed

Stashenko, Elena E; Jaramillo, Beatriz E; Martínez, Jairo René

2004-01-30

Hydrodistillation (HD), simultaneous distillation-solvent extraction (SDE), microwave-assisted hydrodistillation (MWHD), and supercritical fluid (CO2) extraction (SFE), were employed to isolate volatile secondary metabolites from Colombian Xylopia aromatica (Lamarck) fruits. Static headspace (S-HS), simultaneous purge and trap (P&T) in solvent (CH2Cl2), and headspace (HS) solid-phase microextraction (SPME) were utilised to obtain volatile fractions from fruits of X. aromatica trees, which grow wild in Central and South America, and are abundant in Colombia. Kováts indices, mass spectra or standard compounds, were used to identify more than 50 individual components in the various volatile fractions. beta-Phellandrene was the main component found in the HD and MWHD essential oils, SDE and SFE extracts (61, 65, 57, and ca. 40%, respectively), followed by beta-myrcene (9.1, 9.3, 8.2 and 5.1%), and alpha-pinene (8.1, 7.3, 8.1 and 5.9%). The main components present in the volatile fractions of the X. aromatica fruits, isolated by S-HS, P&T and HS-SPME were beta-phellandrene (53.8, 35.7 and 39%), beta-myrcene (13.3, 12.3 and 10.1%), p-mentha-1(7),8-diene (7.1, 10.6 and 10.4%), alpha-phellandrene (2.2, 5.0 and 6.4%), and p-cymene (2.2,4.7 and 4.4%), respectively.

Oxygen binding by alpha(Fe2+)2beta(Ni2+)2 hemoglobin crystals.

PubMed Central

Bruno, S.; Bettati, S.; Manfredini, M.; Mozzarelli, A.; Bolognesi, M.; Deriu, D.; Rosano, C.; Tsuneshige, A.; Yonetani, T.; Henry, E. R.

2000-01-01

Oxygen binding by hemoglobin fixed in the T state either by crystallization or by encapsulation in silica gels is apparently noncooperative. However, cooperativity might be masked by different oxygen affinities of alpha and beta subunits. Metal hybrid hemoglobins, where the noniron metal does not bind oxygen, provide the opportunity to determine the oxygen affinities of alpha and beta hemes separately. Previous studies have characterized the oxygen binding by alpha(Ni2+)2beta(Fe2+)2 crystals. Here, we have determined the three-dimensional (3D) structure and oxygen binding of alpha(Fe2+)2beta(Ni2+)2 crystals grown from polyethylene glycol solutions. Polarized absorption spectra were recorded at different oxygen pressures with light polarized parallel either to the b or c crystal axis by single crystal microspectrophotometry. The oxygen pressures at 50% saturation (p50s) are 95 +/- 3 and 87 +/- 4 Torr along the b and c crystal axes, respectively, and the corresponding Hill coefficients are 0.96 +/- 0.06 and 0.90 +/- 0.03. Analysis of the binding curves, taking into account the different projections of the alpha hemes along the optical directions, indicates that the oxygen affinity of alpha1 hemes is 1.3-fold lower than alpha2 hemes. Inspection of the 3D structure suggests that this inequivalence may arise from packing interactions of the Hb tetramer within the monoclinic crystal lattice. A similar inequivalence was found for the beta subunits of alpha(Ni2+)2beta(Fe2+)2 crystals. The average oxygen affinity of the alpha subunits (p50 = 91 Torr) is about 1.2-fold higher than the beta subunits (p50 = 110 Torr). In the absence of cooperativity, this heterogeneity yields an oxygen binding curve of Hb A with a Hill coefficient of 0.999. Since the binding curves of Hb A crystals exhibit a Hill coefficient very close to unity, these findings indicate that oxygen binding by T-state hemoglobin is noncooperative, in keeping with the Monod, Wyman, and Changeux model. PMID:10794410

ASYMMETRIC ABSORPTION PROFILES OF Ly{alpha} AND Ly{beta} IN DAMPED Ly{alpha} SYSTEMS

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

Lee, Hee-Won, E-mail: hwlee@sejong.ac.kr

2013-08-01

Damped Ly{alpha} systems observed in the quasar spectra are characterized by a high neutral hydrogen column density, N{sub HI} > 2 x 10{sup 20} cm{sup -2}. The absorption wing profiles are often fitted using the Voigt function due to the fact that the scattering cross section near the resonant line center is approximately described by the Lorentzian function. Since a hydrogen atom has infinitely many p states that participate in the electric dipole interaction, the cross section starts to deviate from the Lorentzian in an asymmetric way in the line wing regions. We investigate this asymmetry in the absorption linemore » profiles around Ly{alpha} and Ly{beta} as a function of the neutral hydrogen column density N{sub HI}. In terms of {Delta}{lambda} {identical_to} {lambda} - {lambda}{sub {alpha}}, we expand the Kramers-Heisenberg formula around Ly{alpha} to find {sigma}({lambda}) {approx_equal} (0.5f{sub 12}){sup 2}{sigma}{sub T}({Delta}{lambda}/{lambda}{sub {alpha}}){sup -2}[1 + 3.792({Delta}{lambda}/{lambda}{sub {alpha}})], where f{sub 12} and {sigma}{sub T} are the oscillator strength of Ly{alpha} and the Thomson scattering cross section, respectively. In terms of {Delta}{lambda}{sub 2} {identical_to} {lambda} - {lambda}{sub {beta}} in the vicinity of Ly{beta}, the total scattering cross section, given as the sum of cross sections for Rayleigh and Raman scattering, is shown to be {sigma}({lambda}) {approx_equal} {sigma}{sub T}(0.5f{sub 13}){sup 2}(1 + R{sub 0})({Delta}{lambda}{sub 2}/{lambda}{sub {beta}}){sup -2}[1 - 24.68({Delta}{lambda}{sub 2}/{lambda}{sub {beta}})] with f{sub 13} and the factor R{sub 0} = 0.1342 being the oscillator strength for Ly{beta} and the ratio of the Raman cross section to Rayleigh cross section, respectively. A redward asymmetry develops around Ly{alpha}, whereas a blue asymmetry is obtained for Ly{beta}. The absorption center shifts are found to be almost proportional to the neutral hydrogen column density.« less

A novel silicon array designed for intraoperative charged particle imaging.

PubMed

Tornai, Martin P; Patt, Bradley E; Iwanczyk, Jan S; Tull, Carolyn R; MacDonald, Lawrence R; Hoffman, Edward J

2002-11-01

A novel Si-PIN imaging array is under investigation for a charged particle (beta, positron, or alpha) sensitive intraoperative camera to be used for (residual) tumor identification during surgery. This class of collimator-less nuclear imaging device has a higher signal response for direct interactions than its scintillator-optical detector-based counterparts. Monte Carlo simulations with 635 keV betas were performed, yielding maximum and projected ranges of 1.64 and 0.55 mm in Si. Up to 90% of these betas were completely absorbed in the first 0.30 mm. Based on these results, 300 microm thick prototype Si detector arrays were designed in a 16 x 16 crossed-grid arrangement with 0.8 mm wide orthogonal strips on 1.0 mm pitch. A NIM- and CAMAC-based high-density data acquisition and processing system was used to collect the list mode data. The system was calibrated by comparisons of measured spectra to energy deposition simulations or by direct measurement of various >100 keV conversion electron or beta emitters. Mean electronic noise per strip was <3.6 keV FWHM at room temperature. When detecting positrons, which have an accompanying 511 keV annihilation background, the flood irradiated beta/gamma ratio was approximately 40, indicating that beta images could be made without the use of background rejection techniques. The intrinsic spatial resolution corresponds to the 1 x 1 mm2 pixel size, and measurements of beta emitting point and line sources yielded FWHM resolutions of 1.5 (lateral) and 2.5 mm (diagonal), respectively, with the larger widths due to particle range blurting effects. Deconvolution of the finite source size yielded intrinsic resolutions that corresponded to the image pixel size. Transmission images of circle and line phantoms with various hole sizes and pitch were resolved with either pure beta or positron irradiation without a background correction. This novel semiconductor imaging device facilitates high charged particle and low gamma sensitivity, high signal/noise ratio, and allows for compact design to potentially aid surgical guidance by providing in situ images of clinical relevance.

Electron spectra in forbidden β decays and the quenching of the weak axial-vector coupling constant gA

NASA Astrophysics Data System (ADS)

Kostensalo, Joel; Haaranen, Mikko; Suhonen, Jouni

2017-04-01

Evolution of the electron spectra with the effective value of the weak axial-vector coupling constant gA was followed for 26 first-, second-, third-, fourth- and fifth-forbidden β- decays of odd-A nuclei by calculating the involved nuclear matrix elements (NMEs) in the framework of the microscopic quasiparticle-phonon model (MQPM). The next-to-leading-order terms were included in the β -decay shape factor of the electron spectra. The spectrum shapes of third- and fourth-forbidden nonunique decays were found to depend strongly on the value of gA, while first- and second-forbidden decays were mostly unaffected by the tuning of gA. The gA-driven evolution of the normalized β spectra was found to be quite universal, largely insensitive to the small changes in the nuclear mean field and the adopted residual many-body Hamiltonian producing the excitation spectra of the MQPM. This makes the comparison of experimental and theoretical electron spectra, coined "the spectrum-shape method" (SSM), a robust tool for extracting information on the effective values of the weak coupling constants. In this exploratory work two new experimentally interesting decays for the SSM treatment were discovered: the ground-state-to-ground-state decays of 99Tc and 87Rb. Comparing the experimental and theoretical spectra of these decays could shed light on the effective values of gA and gV for second- and third-forbidden nonunique decays. The measurable decay transitions of 135Cs and 137Cs, in turn, can be used to test the SSM in different many-body formalisms. The present work can also be considered as a (modest) step towards solving the gA problem of the neutrinoless double beta decay.

Comparison of HR MAS MR spectroscopic profiles of breast cancer tissue with clinical parameters.

PubMed

Sitter, Beathe; Lundgren, Steinar; Bathen, Tone F; Halgunset, Jostein; Fjosne, Hans E; Gribbestad, Ingrid S

2006-02-01

Breast cancer is the most frequent form of cancer in women and improved diagnostic methods are desirable. Malignant cells have altered metabolism and metabolic mapping might become a tool in cancer diagnostics. High-resolution magic angle spinning (HR MAS) MR spectroscopy of tissue biopsies provides detailed information on metabolic composition. The 600 MHz 1H HR MAS spectra were acquired of breast cancer tissue from 85 patients and adjacent non-involved tissue from 18 of these patients. Tissue specimens were investigated by microscopy after MR analysis. The resulting spectra were examined by three different approaches. Relative intensities of glycerophosphocholine (GPC), phosphocholine (PC) and choline were compared for cancerous and non-involved specimens. Eight metabolites, choline, creatine, beta-glucose, GPC, glycine, myo-inositol, PC and taurine, were quantified from the recorded spectra and compared with tumor histological type and size, patient's lymph node status and tissue composition of sample. The spectra were also compared with tumor histological type and size, lymph node status and tissue composition of samples using principal component analysis (PCA). Tumor samples could be distinguished from non-involved samples (82% sensitivity, 100% specificity) based on relative intensities of signals from GPC, PC and choline in 1H HR MAS spectra. Tissue concentrations of metabolites showed few differences between groups of samples, which can be caused by limitations in the quantification procedure. Choline and glycine concentrations were found to be significantly higher in tumors larger than 2 cm compared with smaller tumors. PCA of MAS spectra from patients with invasive ductal carcinomas indicated a possible prediction of spread to axillary lymph nodes. Metabolite estimates and PCA of MAS spectra were influenced by the percentage of tumor cells in the investigated specimens. 2006 John Wiley & Sons, Ltd.

Novel solution of power law for γ-bands

NASA Astrophysics Data System (ADS)

Gupta, J. B.

The power law expression E = aIb offers a single-term formula with just two parameters for expressing the level energies in the spectra of even-Z even-N nuclei. Its application to ground band spectra for a wide range of nuclei has been demonstrated in our earlier works. Here, we extend its application to the rotational bands built on an excited state of K = 2 γ-vibration band and Kπ = 0 2+ beta band. A novel assumption of a virtual level with spin zero for γ-bands is made and its validity and use is illustrated. Here, the constancy of the parameters “b” and “a” with spin, offers a more realistic view of the dependence of the nuclear core deformation on spin, in the excited bands. Also, it enables a spinwise view, not available in the other energy fit expressions.

A search for FeH in M and S giants

NASA Technical Reports Server (NTRS)

Davis-Locanthi, D.

1980-01-01

The strongest lines of FeH in the visible spectrum fall in the domain of TiO and ZrO bands. Analysis exists for TiO, but nothing is yet available for the weak but important ZrO lines. Using plate measurements and microphotometer tracings, high dispersion spectra of the following cool stars have been searched for FeH lines: Beta Peg, Mu UMa, Alpha Her, Omicron Cet, Chi Cyg, HR 105, HR 8714, R And, R Cyg, R Cam, T Sgr, R CMi, Cy Cyg, and RU Cam. The strongest FeH lines are unimpressive in R Cyg, where the strong infrared bands of FeH have already been identified. Identification of the blue-green FeH lines in other spectra must be considered inconclusive until a rotational analysis of the FeH spectrum is available.

A novel daucosterol derivative and antibacterial activity of compounds from Arctotis arctotoides.

PubMed

Sultana, Nasim; Afolayan, A J

2007-08-01

Arctotis arctotoides is a perennial herb used medicinally for the treatment of various ailments in the Eastern Cape, South Africa. Different extracts of the plant were investigated for their antimicrobial constituents. This led to the isolation and identification of a new daucosterol derivative 3-O-[beta-D-(6'-nonadeanoate)glucopyranosyl]-beta-sitosterol and seven known compounds namely: serratagenic acid, stigmasterol, daucosterol, zaluzanin D, dehydrocostuslactone, nepetin, and pedalitin. The structures of the compounds were elucidated on the basis of spectral analysis, including homo and hetero nuclear correlation NMR experiments (COSY, NOESY, HMQC, HMBC) and mass spectra as well as by comparison with available data in the literature. The compounds exhibited antibacterial activity except stigmasterol, daucosterol and dehydrocostuslactone. Nepetin was the most active against Bacillus subtilis and Staphylococcus aureus with the minimum inhibitory concentrations of 4 microg mL( - 1) and 31 microg mL( - 1), respectively, while others exhibited moderate activity.

Secondary and primary relaxations in hyperbranched polyglycerol: a comparative study in the frequency and time domains.

PubMed

Garcia-Bernabé, Abel; Dominguez-Espinosa, Gustavo; Diaz-Calleja, Ricardo; Riande, Evaristo; Haag, Rainer

2007-09-28

The non-Debye relaxation behavior of hyperbranched polyglycerol was investigated by broadband dielectric spectroscopy. A thorough study of the relaxations was carried out paying special attention to truncation effects on deconvolutions of overlapping processes. Hyperbranched polyglycerol exhibits two relaxations in the glassy state named in increasing order of frequency beta and gamma processes. The study of the evolution of these two fast processes with temperature in the time retardation spectra shows that the beta absorption is swallowed by the alpha in the glass-liquid transition, the gamma absorption being the only relaxation that remains operative in the liquid state. In heating, a temperature is reached at which the alpha absorption vanishes appearing the alphagamma relaxation. Two characteristics of alpha absorptions, decrease of the dielectric strength with increasing temperature and rather high activation energy, are displayed by the alphagamma process. Williams' ansatz seems to hold for these topologically complex macromolecules.

Enhancing early consolidation of human episodic memory by theta EEG neurofeedback.

PubMed

Rozengurt, Roman; Shtoots, Limor; Sheriff, Aviv; Sadka, Ofir; Levy, Daniel A

2017-11-01

Consolidation of newly formed memories is readily disrupted, but can it be enhanced? Given the prominent role of hippocampal theta oscillations in memory formation and retrieval, we hypothesized that upregulating theta power during early stages of consolidation might benefit memory stability and persistence. We used EEG neurofeedback to enable participants to selectively increase theta power in their EEG spectra following episodic memory encoding, while other participants engaged in low beta-focused neurofeedback or passively viewed a neutral nature movie. Free recall assessments immediately following the interventions, 24h later and 7d later all indicated benefit to memory of theta neurofeedback, relative to low beta neurofeedback or passive movie-viewing control conditions. The degree of benefit to memory was correlated with the extent of theta power modulation, but not with other spectral changes. Theta enhancement may provide optimal conditions for stabilization of new hippocampus-dependent memories. Copyright © 2017 Elsevier Inc. All rights reserved.

A Novel Approach to β-delayed Neutron Spectroscopy Using the Beta-decay Paul Trap

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

Scielzo, N.D., E-mail: scielzo1@llnl.gov; Yee, R.M.; Department of Nuclear Engineering, University of California, Berkeley, CA 94720

A new approach to β-delayed neutron spectroscopy has been demonstrated that circumvents the many limitations associated with neutron detection by instead inferring the decay branching ratios and energy spectra of the emitted neutrons by studying the nuclear recoil. Using the Beta-decay Paul Trap, fission-product ions were trapped and confined to within a 1-mm{sup 3} volume under vacuum using only electric fields. Results from recent measurements of {sup 137}I{sup +} and plans for development of a dedicated ion trap for future experiments using the intense fission fragment beams from the Californium Rare Isotope Breeder Upgrade (CARIBU) facility at Argonne National Laboratorymore » are summarized. The improved nuclear data that can be collected is needed in many fields of basic and applied science such as nuclear energy, nuclear astrophysics, and stockpile stewardship.« less

Prenylated chalcones, flavone and other constituents of the twigs of Dorstenia angusticornis and Dorstenia barteri var. subtriangularis.

PubMed

Ngadjui, Bonaventure T; Watchueng, Jean; Keumedjio, Felix; Ngameni, Bathélémy; Simo, Ingrid K; Abegaz, Berhanu M

2005-03-01

The twigs of Dorstenia angusticornis and Dorstenia barteri var. subtriangularis yielded 16 compounds. Two novel diprenylated chalcones: 3,5'-di-(2-hydroxy-3-methylbut-3-enyl)-4,2',4'-trihydroxychalcone, 3, 4-(2,2-dimethylpyrano)-3'-(2-hydroxy-3-methylbut-3-enyl)-2',4'-dihydroxychalcone and the known stipulin were isolated from both species. 3-(2-Hydroxy-3-methylbut-3-enyl)-5'-(3,3-dimethylallyl)-4,2',4'-trihydroxychalcone and the known compounds: 4-hydroxylonchocarpin, kanzonol B, bartericins A, B, C and 3'-(2-hydroxy -3-methylbut-3-enyl)-4,2',4'-trihydroxychalcone were isolated from D. barteri while the known compounds: gancaonin Q, paratocarpins C, F, and lupeol were obtained from Dorstenia angusticornis. beta-Sitosterol and its beta-d-glucopyranoside were isolated from both species. Structures of these secondary metabolites were established using spectroscopic analysis, especially, NMR spectra in conjunction with 2D experiments, COSY, HMQC and HMBC.

[Profile-effect on quality control of Houttuynia cordata injection].

PubMed

Lu, Hong-mei; Liang, Yi-zeng; Qian, Pin

2005-12-01

To find corresponding relationship between the fingerprint of Houttuynia cordata injections from different factories and their effects. Houttuynia cordata injections from six different factories were determined by gas chromatography (GC) and gas chromatography-mass spectra (GC-MS), and GC fingerprints were classified by hierarchical clustering. The anti-inflammatory activity of Houttuynia cordata injections was characterized through the rat pleurisy model induced by carrageenin and the mice ear edema model by dimethylbenzene. The anti-inflammatory effect of the injections from the first class factories on the two model was significant, while those from the second class not. GC-MS analysis result indicated that main effect compounds in Houttuynia cordata injections are methyl n-nonyl ketone, decanoylacetaldehyde, lauryl aldehyde, capryl aldehyde, beta-pinene, beta-linalool, 1-nonanol, 4-terpineol, alpha-terpineol, bornyl acetate, n-decanoic acid and acetic acid, geraniol ester etc. There is corresponding relationship between the fingerprint of Houttuynia cordata injections and effect to a certain extent.

Determining Black Hole Mass of AGN using FWHM of H-beta Emission Line and Luminosity Relations

NASA Astrophysics Data System (ADS)

Cameron, Thomas Jacob; Burris, Debra L.

2017-01-01

At the center of some active galaxies are super-massive black holes and for some time the accepted method of measuring the mass of such galaxies has been the method used by Vestergaard and Peterson, among others. By using the luminosity function which is related to H-β emission spectra from these black holes, both for cosmic redshift and for Fe-II emissions using IRAF. From there, H-β can accurately measure the full width half max of the H-beta line in these spectrum as well as the luminosity and these paired with the O-III lines give us an estimate on the mass of the black hole. The purpose of this is to compare it to the values obtained from the Mass-Pitch Angle relation being proposed by Kennefick et al. (2016 in preparation)

Mass Spectra of Some Perfluoroalkyl and Perfluoroalkylether Substituted 1,2,4-Oxadiazoles

NASA Technical Reports Server (NTRS)

Paciorek, Kazimiera J. L.; Nakahara, James H.; Kratzer, Reinhold H.; Rosser, Robert W.

1977-01-01

Electron impact fragmentation patterns were obtained for 1,4-bis[(5-perfluoro-n-heptyl)-1,2,4-oxadiazolyl- benzene, its perfluoroalkylether substituted analogue, 3,5-bis(perfluoroalkyl)-, 3,5-bis(perfluoroalkylether)- and 3-perfluoroalkylether-5-perfluoroalkyl-1,2,4-oxadiazoles. In the compounds containing the phenylene group the molecular ion constituted the base peak; the main process was the breakdown of the oxadiazole ring with concurrent liberation of the perfluoroalkyl or perfluoroalkylether nitrile molecule; cleavage of the fluorinated chain ot to the oxadiazole ring was found to take place to a considerable degree. In the perfluorinated 1,2,4-oxadiazoles cleavage beta to the oxadiazole ring occurred preferentially; fragmentation of the ring itself took place to a limited degree only. The 3-perfluoroalkylether-5-perfluoroalkyl-1,2,4-oxadiazole appeared to undergo the primary beta-cleavage exclusively at the perfluoroalkylether sidechain.

10 micron Spectroscopy with OSCIR: Silicate Minerology and The Origins of Disks & Protoplanetesimals

NASA Astrophysics Data System (ADS)

Woodward, Chick; Wooden, Diane; Harker, David; Rodgers, Bernadette; Butner, Harold

1999-02-01

The analysis of the silicate mineralogy of pre-main sequence Herbig Ae/Be (HeAeBe) stars to main sequence (beta)-Pic systems, probes the chemical and physical conditions in these potentially planet-forming environments, the condensation of dust from the gas-disk, and the aggregation and accretion of these solids into planetesimals and comets. We propose to obtain 10 micron OSCIR spectra of a selected list of HeAeBe and (beta)-Pic like systems. Use of our ground-based data, combined with the ISO SWS database, and our extensive analytical modeling efforts will permit us to develop a fundamental understanding of connections between silicate mineralogy and the origins and evolution of disks and protoplanetesimals. This program will provide a framework to extend our understanding of planetary formation processes and the mineralogy of dust in differing circumstellar environs and comets to be studied with the NASA STARDUST and SIRTF missions.

The Beta Pictoris Phenomenon in Young Stars With Accreting Gas

NASA Technical Reports Server (NTRS)

Grady, Carol A.

1999-01-01

Program Hae2BPIC resulted in usable ISO spectra of three young, Herbig Ae stars: HR 5999 (A7e, t=0.6 Myr), SV Cep (al-2e, t=1-3 Myr), and MW Vul (Al-2e, t=1-3 Myr). While too small a sample to pursue our original goal of surveying the silicate emission in these young, protoplanetary disk systems, comparison of these data with ground-based IR spectra, and published ISO observations of other HAe stars (especially the posters at PPIV) reveals the following: The known binary stars in the sample show signatures of partially crystal line silicate features by t=0.6 Myr, at an epoch when ostensibly single Herbig Ae stars have substantially stronger silicate emission dominated by amorphous grains. The known binary stars also show deficits in the optically thick continuum flux relative to coeval single stars. Comparison of ISO spectra indicates that the flux deficit seen in WD 163296 over 10-100 microns relative to AB Aur reflects a real deficit of material interior to 300.

VizieR Online Data Catalog: BVIc light curves of SZ Cam (Tamajo+, 2012)

NASA Astrophysics Data System (ADS)

Tamajo, E.; Munari, U.; Siviero, A.; Tomasella, L.; Dallaporta, S.

2012-01-01

We present a spectroscopic and photometric analysis of the multiple system and early-type eclipsing binary SZ Cam (O9 IV + B0.5 V), which consists of an eclipsing SB2 pair of orbital period P=2.7-days in a long orbit (~55yrs) around a non-eclipsing SB1 pair of orbital period P=2.8-days. We have reconstructed the spectra of the individual components of SZ Cam from the observed composite spectra using the technique of spectral disentangling. We used them together with extensive and accurate BV IC CCD photometry to obtain an orbital solution. Our photometry revealed the presence of a beta Cep variable in the SZ Cam hierarchical system, probably located within the non-eclipsing SB1 pair. The pulsation period is 0.33265+/-0.00005-days and the observed total amplitude in the B band is 0.0105+/-0.0005mag. NLTE analysis of the disentangled spectra provided atmospheric parameters for all three components, consistent with those derived from orbital solution. (1 data file).

The Young Visual Binary Database

NASA Astrophysics Data System (ADS)

Prato, Lisa A.; Avilez, Ian; Allen, Thomas; Zoonematkermani, Saeid; Biddle, Lauren; Muzzio, Ryan; Wittal, Matthew; Schaefer, Gail; Simon, Michal

2017-01-01

We have obtained adaptive optics imaging and high-resolution H-band and in some cases K-band spectra of each component in close to 100 young multiple systems in the nearby star forming regions of Taurus, Ophiuchus, TW Hya, and Orion. The binary separations for the pairs in our sample range from 30 mas to 3 arcseconds. The imaging and most of our spectra were obtained with instruments behind adaptive optics systems in order to resolve even the closest companions. We are in the process of determining fundamental stellar and circumstellar properties, such as effective temperature, Vsin(i), veiling, and radial velocity, for each component in the entire sample. The beta version of our database includes systems in the Taurus region and provides plots, downloadable ascii spectra, and values of the stellar and circumstellar properties for both stars in each system. This resource is openly available to the community at http://jumar.lowell.edu/BinaryStars/. In this poster we describe initial results from our analysis of the survey data. Support for this research was provided in part by NSF award AST-1313399 and by NASA Keck KPDA funding.

Other Species in the Aqueous Environment of a Peptide Can Invert its Intrinsic Solvated Polyproline II/Beta Propensity: Implications for Amyloid Formation.

PubMed

Mirkin, Noemi G; Krimm, Samuel

2016-02-02

As we have previously shown, the predominance of the polyproline II conformation in the circular dichroism spectra of aqueous polypeptides is related to its lower energy than that of the beta conformation. In order to test whether this is still the case in the presence of additional components in the medium, we have calculated the energy difference between these two conformations in an alanine-dipeptide/twelve-water system without and with the addition of an HCl molecule. We find in the latter case that the beta conformer is of lower energy than the polyproline II. Energy profiles near the minima in both cases also permit conclusions about the relative entropies of these structures. These results emphasize the importance of considering the peptide-plus-medium state as the relevant entity in determining the structural properties of such systems. Such an inversion could be relevant to the formation of amyloid and could thus lead to new strategies for studying its role in the development of neurodegenerative diseases. This article is protected by copyright. All rights reserved. © 2016 Wiley Periodicals, Inc.

Fast atom bombardment tandem mass spectrometry of carotenoids

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

van Breeman, R.B.; Schmitz, H.H.; Schwartz, S.J.

Positive ion fast atom bombardment (FAB) tandem mass spectrometry (MS-MS) using a double-focusing mass spectrometer with linked scanning at constant B/E and high-energy collisionally activated dissociation (CAD) was used to differentiate 17 different cartenoids, including {beta}-apo-8{prime}- carotenal, astaxanthin, {alpha}-carotene, {beta}-carotene, {gamma}-carotene, {zeta}-carotene, canthaxanthin, {beta}-cryptoxanthin, isozeaxanthin bis (pelargonate), neoxanthin, neurosporene, nonaprene, lutein, lycopene, phytoene, phytofluene, and zeaxanthin. The carotenoids were either synthetic or isolated from plant tissues. The use of FAB ionization minimized degradation or rearrangement of the carotenoid structures due to the inherent thermal instability generally ascribed to these compounds. Instead of protonated molecules, both polar xanthophylls and nonpolar carotenesmore » formed molecular ions, M{sup {center_dot}+}, during FAB ionization. Following collisionally activated dissociation, fragment ions of selected molecular ion precursors showed structural features indicative of the presence of hydroxyl groups, ring systems, ester groups, and aldehyde groups and the extent of aliphatic polyene conjugation. The fragmentation patterns observed in the mass spectra herein may be used as a reference for the structural determination of carotenoids isolated from plant and animal tissues. 18 refs., 4 figs.« less

Arabinogalactan for hepatic drug delivery.

PubMed

Groman, E V; Enriquez, P M; Jung, C; Josephson, L

1994-01-01

Arabinogalactan, a polysaccharide from the tree Larix occidentalis, has been purified and its biological and physical properties described. Intravenous injection of radiolabeled arabinogalactan (4 mg/kg) in rats resulted in 52.5% of the dose being present in the liver, while prior injection of asialofetuin (100 mg/kg) reduced hepatic radioactivity to 3.54%. Gel chromatography indicates arabinogalactan is a single species of 19 kDa, while light scattering gave a molecular weight of 40 kDa. Glycosyl linkage analysis of arabinogalactan is consistent with a highly branched structure comprising a backbone of 1,3-linked galactopyranose connected by 1,3-glycosidic linkages, comprised of 3,4,6-,3,6-, and 3,4- as well as 3-linked residues. In the carbon-13 NMR spectra, the major resonances of arabinogalactan are assigned to beta-galactopyranose, beta-arabinofuranose, and beta-arabinopyranose. Arabinogalactan produced no adverse reactions in single intravenous dose (mouse, 5000 mg/kg) and repeat dose toxicity studies (rats, 500 mg/kg/day, 90 days). When tritiated arabinogalactan was injected, radioactivity cleared from the liver with a half-life of 3.42 days. Arabinogalactan has properties that make it suitable as a carrier for delivering diagnostic or therapeutic agents to hepatocytes via the asialoglycoprotein receptor.

A Moderate Resolution NIR Spectral Library of Weak-Lined T Tauri Stars

NASA Astrophysics Data System (ADS)

Cooper, Rachel; Covey, K. R.

2013-01-01

We present a spectral library of high-quality moderate resolution (R ~ 3500) NIR spectra for 44 weak-lined T Tauri Stars (WTTS) in the Taurus-Auriga Molecular Cloud. These spectra, obtained with the TripleSpec spectrograph on the Astrophysical Research Consortium (ARC) 3.5 meter telescope, provide full coverage of the J, H, and K near-infrared bands in a single epoch. Analyzing these spectra, along with those of dwarf and giant spectral type standards from the SpeX Spectral Library, we have identified several elemental and molecular absorption lines that vary in strength with respect to each star's spectral type and luminosity class. Calibrating each of these features as a spectral type indicator, we provide a detailed characterization for each of the WTTSs in our sample, identifying each star's NIR spectral type and line-of-sight extinction, estimated both from the shape of the overall continuum and from the fluxes of the Paschen beta and Brackett gamma emission lines. In addition to improving our understanding of the properties of these WTTSs, this well characterized spectral library will be a valuable resource for analyses of the NIR continuum veiling and line emission present in the spectra of accreting classical T Tauri stars. This research was made possible by NSF Grant AST-1004107.

Digging for Fossils in the Hertzsprung Gap

NASA Technical Reports Server (NTRS)

Ayres, Thomas R.

1999-01-01

Objective was to conduct deep (approx. 250 ks) pointings on two EUV sources, the early-F giant beta Cas and the mid-G giant mu Velorum; to obtain spectra in the range 70-300 A and to record Deep Survey light curves over the extensive duration of each observation. We have analyzed the DS lightcurve and the SW spectrum, breaking the latter lip into time slices corresponding to key phases of the observation: pre-flare, flare rise, and two segments of the flare decay.

Sources and transport of silicone NVR

NASA Technical Reports Server (NTRS)

Harvey, Gale A.

1992-01-01

The retrieved LDEF had varying amounts of visible contamination films (brown stains) at many locations. FTIR spectra of heavy film deposits at vents and of optical windows from tray E5 indicated methyl silicone and silica in the contaminant films. Two possible sources of the methyl silicone are DC-710 phenyl methyl silicone in the shuttle-bay-liner beta cloth, and the shuttle tile waterproofing silane. It is concluded that much of the silicon and silica contamination came from ground operations and the orbiter.

Gastroprotective and Antioxidant Activity of Kalanchoe brasiliensis and Kalanchoe pinnata Leaf Juices against Indomethacin and Ethanol-Induced Gastric Lesions in Rats.

PubMed

de Araújo, Edilane Rodrigues Dantas; Guerra, Gerlane Coelho Bernardo; Araújo, Daline Fernandes de Souza; de Araújo, Aurigena Antunes; Fernandes, Júlia Morais; de Araújo Júnior, Raimundo Fernandes; da Silva, Valéria Costa; de Carvalho, Thaís Gomes; Ferreira, Leandro de Santis; Zucolotto, Silvana Maria

2018-04-24

Kalanchoe brasiliensis and Kalanchoe pinnata are used interchangeably in traditional medicine for treating peptic ulcers and inflammatory problems. In this context, this study aims to characterize the chemical constituents and evaluate the gastroprotective activity of the leaf juices of the two species in acute gastric lesions models. Thin Layer Chromatography (TLC) and Ultra High Performance Liquid Chromatography coupled to Mass Spectrometer (UHPLC-MS) were performed for chemical characterization. Wistar rats were pre-treated orally with leaf juices (125, 250 and 500 mg/kg) or ranitidine (50 mg/kg). The peaks observed in the chromatogram of K. brasiliensis showed similar mass spectra to flavonoid glycosides derived from patuletin and eupafolin, while K. pinnata showed mass spectra similar to compounds derived from quercetin, patuletin, eupafolin and kaempferol. K. brasiliensis at all doses and K. pinnata at doses of 250 mg/kg and 500 mg/kg significantly reduced the lesions in the ethanol induction model. In the indomethacin induction model, both species showed significant results at doses of 250 and 500 mg/kg. Also, the pre-treatment with leaf juices increased the antioxidant defense system, glutathione (GSH), whereas malondialdehyde (MDA), myeloperoxidase (MPO), interleukin-1β (IL-1β) and tumor necrosis factor-α (TNF-α) levels were significantly decreased. Treatment with leaf juices led to the upregulation of zone occludes-1 (ZO-1) and the downregulation of inducible nitric oxide synthase (iNOS) and factor nuclear-κβ transcription (NF-κB-p65), while also showing a cytoprotective effect and maintaining mucus production. These findings show that the leaf juices of the two species showed gastroprotective effects on ethanol and gastric indomethacin injury which were a consequence of gastric inflammation suppression, antioxidant activity and the maintenance of cytoprotective defenses and mucosal structure architecture.

The evidence for clumpy accretion in the Herbig Ae star HR 5999

NASA Technical Reports Server (NTRS)

Perez, M. R.; Grady, C. A.; The, P. S.

1993-01-01

Analysis of IUE high- and low-dispersion spectra of the young Herbig Ae star HR 5999 (HD 144668) covering 1978-1992 revealed dramatic changes in the Mg II h and k (2795.5, 2802.7 A) emission profiles, changes in the column density and distribution in radial velocity of accreting gas, and flux in the Ly(alpha), O I, and C IV emission lines, which are correlated with the UV excess luminosity. Variability in the spectral type inferred from the UV spectral energy distribution, ranging from A5 IV-III in high state to A7 III in the low state, was also observed. The trend of earlier inferred spectral type with decreasing wavelength and with increasing UV continuum flux has previously been noted as a signature of accretion disks in lower mass pre-main sequence stars (PMS) and in systems undergoing FU Orionis-type outbursts. Our data represent the first detection of similar phenomena in an intermediate mass (M greater than or equal to 2 solar mass) PMS star. Recent IUE spectra show gas accreting toward the star with velocities as high as plus 300 km/s, much as is seen toward beta Pic, and suggest that we also view this system through the debris disk. The absence of UV lines with the rotational broadening expected given the optical data (A7 IV, V sini=180 plus or minus 20 km/s for this system) also suggests that most of the UV light originates in the disk, even in the low continuum state. The dramatic variability in the column density of accreting gas, is consistent with clumpy accretion, such as has been observed toward beta Pic, is a hallmark of accretion onto young stars, and is not restricted to the clearing phase, since detectable amounts of accretion are present for stars with 0.5 Myr less than t(sub age) less than 2.8 Myr. The implications for models of beta Pic and similar systems are briefly discussed.

Modeling the Production of Beta-Delayed Gamma Rays for the Detection of Special Nuclear Materials

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

Hall, J M; Pruet, J A; Brown, D A

2005-02-14

The objective of this LDRD project was to develop one or more models for the production of {beta}-delayed {gamma} rays following neutron-induced fission of a special nuclear material (SNM) and to define a standardized formatting scheme which will allow them to be incorporated into some of the modern, general-purpose Monte Carlo transport codes currently being used to simulate inspection techniques proposed for detecting fissionable material hidden in sea-going cargo containers. In this report, we will describe a Monte Carlo model for {beta}-delayed {gamma}-ray emission following the fission of SNM that can accommodate arbitrary time-dependent fission rates and photon collection histories.more » The model involves direct sampling of the independent fission yield distributions of the system, the branching ratios for decay of individual fission products and spectral distributions representing photon emission from each fission product and for each decay mode. While computationally intensive, it will be shown that this model can provide reasonably detailed estimates of the spectra that would be recorded by an arbitrary spectrometer and may prove quite useful in assessing the quality of evaluated data libraries and identifying gaps in the libraries. The accuracy of the model will be illustrated by comparing calculated and experimental spectra from the decay of short-lived fission products following the reactions {sup 235}U(n{sub th}, f) and {sup 239}Pu(n{sub th}, f). For general-purpose transport calculations, where a detailed consideration of the large number of individual {gamma}-ray transitions in a spectrum may not be necessary, it will be shown that a simple parameterization of the {gamma}-ray source function can be defined which provides high-quality average spectral distributions that should suffice for calculations describing photons being transported through thick attenuating media. Finally, a proposal for ENDF-compatible formats that describe each of the models and allow for their straightforward use in Monte Carlo codes will be presented.« less

NMR analyses of the conformations of L-isoleucine and L-valine bound to Escherichia coli isoleucyl-tRNA synthetase

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

Kohda, D.; Kawai, G.; Yokoyama, S.

1987-10-06

The 400-MHz /sup 1/H NMR spectra of L-isoleucine and L-valine were measured in the presence of Escherichia coli isoleucyl-tRNA synthetase (IleRS). Because of chemical exchange of L-isoleucine or L-valine between the free state and the IleRS-bound state, a transferred nuclear Overhauser effect (TRNOE) was observed among proton resonances of L-isoleucine or L-valine. However, in the presence of isoleucyl adenylate tightly bound to the amino acid activation site of IleRS, no TRNOE for L-isoleucine or L-valine was observed. This indicates that the observed TRNOE is due to the interaction of L-isoleucine or L-valine with the amino acid activation site of IleRS.more » The conformations of these amino acids in the amino acid activation site of IleRS were determined by the analyses of time dependences of TRNOEs and TRNOE action spectra. The IleRS-bound L-isoleucine takes the gauche/sup +/ form about the C/sub ..cap alpha../-C/sub ..beta../ bond and the trans form about the C/sub ..beta../-C/sub ..gamma../sub 1// bond. The IleRS-bound L-valine takes the guache/sup -/ form about the C/sub ..cap alpha../-C/sub ..beta../ bond. Thus, the conformation of the IleRS-bound L-valine is the same as that of IleRS-bound L-isoleucine except for the delta-methyl group. The side chain of L-isoleucine or L-valine lies in an aliphatic hydrophobic pocket of the active site of IleRS. Such hydrophobic interaction with IleRS is more significant for L-isoleucine than for L-valine. The TRNOE analysis is useful for studying the amino acid discrimination mechanism of aminoacyl-tRNA synthetases.« less

Observation and Study of Proton Aurora by using Scanning Photometer

NASA Astrophysics Data System (ADS)

Mochizuki, T.; Ono, T.; Kadokura, A.; Sato, N.

2009-12-01

The proton auroras have significant differences from electron auroras in their spectral shape. They show Doppler-shifted and broadened spectra: the spectra have Doppler-shifted (~0.5 nm shorter) peak and both bluewing (~2-4 nm) and redwing (~1.5 nm) extending. Energy spectra of precipitating protons have been estimated from this shape. Recently it is found that the intensity in the extent of the blue wing reflects more effectively by the change of the mean energy of precipitating protons than the shift of peak wavelength [Lanchester et al., 2003]. Another character of the H-beta aurora is that it is diffuse form because a proton becomes hydrogen atom due to a charge-exchange reaction with atmospheric constituent and then possible to move across the magnetic field line. By using a scanning photometer, the movement of the proton auroral belt and change of a spectrum shape associated with the variation of proton source region due to storm and substorm were reported, however, not discussed in detail yet [Deehr and Lummerzheim, 2001]. The purpose of this study is to obtain the detail characteristics of H-beta aurora for understanding of source region of energetic protons in the magnetosphere. For this purpose, a new meridian-scanning photometer (SPM) was installed at Husafell station in Iceland in last summer season and Syowa Station, Antarctica. It will contribute to investigate the distribution of energetic protons and plasma waves which cause the pitch angle scattering in the magnetosphere. The meridian-scanning photometer is able to observe at five wavelengths for H-beta emission. One channel is to measure the background level. By analyzing the data obtained by the SPM, the H-beta spectrum can be estimated by fitting a model function with it. Then it is possible to obtain distribution of precipitating protons in north-south direction. It is also possible to estimate an energy spectrum of precipitating proton, simultaneously. The instrumental parameters of the SPM is defined by the transmission characteristics of the interference filters; they are 485.7 nm (FWHM: 3.0 nm), 484.5 nm (0.6 nm), 485.5 nm (0.6 nm), 486.5 nm (0.6 nm) and 487.5 nm (0.6 nm) for H-beta auroras, and OI 630 nm (0.6 nm), N_2 1PG 670.5 nm (5.0 nm) and OI 844.6 nm (0.6 nm) for electron auroras. We analyzed the event at 2100 UT 23rd June, 2009 observed at Syowa station. This is typical auroral breakup event. And in this event, breakup occurred in FOV of the photometer and expanded to poleward. Then NS aurora appeared and pulsating aurora occurred. We calculated Doppler profile and each parameter is below. The peak intensity is 80 R/nm, wavelength at peak intensity is 486.0 nm, HWHM of bluewing is 1.7 nm and HWHM of redwing is 0.9 nm. These value are within past studies, although the Doppler shift of peak intensity is 0.1 nm and shorter than the average of past studies (0.5 nm). And intensity and Doppler profile of proton aurora changed with eqatorward moving in substorm growth phase. This suggests that the source of precipitating proton moves Earthward and its energy increases, and correspond to the result of Deehr and Lummerzheim, 2001. We are going to report the more detailed result of this event and new events of proton aurora.

Immunochemical mapping of gonadotropins.

PubMed

Berger, P; Bidart, J M; Delves, P S; Dirnhofer, S; Hoermann, R; Isaacs, N; Jackson, A; Klonisch, T; Lapthorn, A; Lund, T; Mann, K; Roitt, I; Schwarz, S; Wick, G

1996-12-20

As a glycoprotein hormone, human chorionic gonadotropic (hCG) is not a single molecular entity but this term rather comprises an array of molecular variants such as hCG, hCG beta, hCGn, hCG beta n, hCG beta cf, -CTPhCG, hCG beta CTP, deglyhCG, asialohCG, hCGav and the closely related molecules hLH, hLH beta and hLH beta ef. The advent of monoclonal antibodies (MCA), the availability of ultrasensitive detection systems and the recent determination of the crystal structure of hCG, made it possible to design special purpose diagnostic and clinical research immunoassays for hCG-like molecules. For more than a decade we and others have tried to refine epitope maps for hCG and related molecules by means of a large panel of MCA, naturally occurring metabolic variants of hCG (hCGn, hCG beta, hCG alpha, hCG beta cf, hCG beta CTP), homologous hormones and subunits of various species (e.g. hLH, hLH beta, hFSH, hTSH, oLH, rLH beta), chemically modified molecules (deglyhCG, asialohCG, tryptic and chymotryptic hCG beta and hCG alpha fragments) and synthetic peptides (octapeptides and longer). It appeared that all epitopes on molecular hCG-variants recognized by our MCA are determined by the protein backbone. Except for the two major epitopes on hCG beta CTP and parts of two antigenic domains on hCG alpha, epitopes on hCG-derived molecules are determined by the tertiary and quarternary structure. Operationally useful descriptive epitope maps were designed including information on assay suitability of antigenic determinants. On this basis we established ultrasensitive time-resolved fluoroimmuno-assays for hCG, hCG and hCGn, hCG beta and hCG beta n and hCG beta cf, hCG alpha and additional assays recognizing different spectra of hCG-variants. Such assay have been applied by us and others to the detection of pregnancy, early pregnancy loss, choriocarcinoma, testicular cancer, other cancers and prenatal diagnosis. However, as the molecular structure of many epitopes utilized in immunoassays of different laboratories was not resolved, comparability of results was not satisfactory. Consequently, attempts were made to compare schematic epitope maps from different research institutions. The situation has been much improved by solving the three-dimensional (3D) structure of hCG. It has been shown that hCG is a member of the structural superfamily of cystine knot growth factors like NGF, PDGF-B and TGF-beta. Each of its subunits is stabilized in its topology by three disulfide bonds forming a cystine knot. Moreover, it turned out that the disulfide bridges in their majority have previously been wrongly assigned. Computer molecular modeling of crystallographic coordinates of hCG and subsequent selective combined--PCR-based and immunological--mutational analyses of hCG beta expressed via the transmembrane region of a MHC molecule made it possible to more precisely localize epitopes on hCG-derived molecules. Although the entire surface of hCG has to be regarded as potentially immunogenic there seems to be hot spots where epitopes are clustered in antigenic domains. These are located on the first and third loops protuding from the cystine knots of both subunits and are possibly centered around the knot itself. Ultimate answers on epitope localizations will be given by the crystal structure determination of hCG complexed with different Fabs.

Effects of nootropics on the EEG in conscious rats and their modification by glutamatergic inhibitors.

PubMed

Vorobyov, Vasily; Kaptsov, Vladimir; Kovalev, Georgy; Sengpiel, Frank

2011-05-30

To study the effects of acute and repeated injections of nootropics and to learn how glutamate receptors might be involved in their mediation, the frequency spectra of cortical and hippocampal electroencephalogram (EEG) were analyzed in non-narcotized rats subcutaneously injected repeatedly with Piracetam (400mg/kg) or its analogue, Noopept (0.2mg/kg), after intracerebroventricular infusions of saline (5 μl) or the antagonists of NMDA and quisqualate/AMPA receptors: CPP (0.1 nmol) and GDEE (1 μmol), respectively. Piracetam increased alpha/beta1 EEG activity in the left frontal cortex, and alpha activity in both the right cortex and hippocampus, with a 10-min latency and 40-min duration. Noopept increased alpha/beta1 activity, with 30-min latency and 40-min duration in all brain areas. CPP pretreatment eliminated Piracetam EEG effects; reduced Noopept effects in the cortex and completely suppressed them in the hippocampus. After four injections of Piracetam, EEG effects were very small in the cortex, and completely lacking in the hippocampus, while GDEE pretreatment partially recovered them. The effect of Noopept in the alpha/beta1 ranges was replaced by increased beta2 activity after the eighth injection, while no effects were observed after the ninth one. GDEE pretreatment restored the effect of Noopept in the beta2 frequency range. These results demonstrate similarities in EEG effects and their mediatory mechanisms for Piracetam and its much more effective analogue, Noopept. Activation of NMDA receptors is involved in the effects of a single injection of the nootropics, whereas activation of quisqualate/AMPA receptors is associated with the decrease in their efficacy after repeated use. Copyright © 2011 Elsevier Inc. All rights reserved.

A randomized controlled trial into the effects of neurofeedback, methylphenidate, and physical activity on EEG power spectra in children with ADHD.

PubMed

Janssen, Tieme W P; Bink, Marleen; Geladé, Katleen; van Mourik, Rosa; Maras, Athanasios; Oosterlaan, Jaap

2016-05-01

The clinical and neurophysiological effects of neurofeedback (NF) as treatment for children with ADHD are still unclear. This randomized controlled trial (RCT) examined electroencephalogram (EEG) power spectra before and after NF compared to methylphenidate (MPH) treatment and physical activity (PA) - as semi-active control group - during resting and active (effortful) task conditions to determine whether NF can induce sustained alterations in brain function. Using a multicentre three-way parallel group RCT design, 112 children with a DSM-IV diagnosis of ADHD, aged between 7 and 13 years, were initially included. NF training consisted of 30 sessions of theta/beta training at Cz over a 10-week period. PA training was a semi-active control group, matched in frequency and duration. Methylphenidate was titrated using a double-blind placebo controlled procedure in 6 weeks, followed by a stable dose for 4 weeks. EEG power spectra measures during eyes open (EO), eyes closed (EC) and task (effortful) conditions were available for 81 children at pre- and postintervention (n = 29 NF, n = 25 MPH, n = 27 PA). Train Your Brain? Exercise and Neurofeedback Intervention for ADHD, https://clinicaltrials.gov/show/;NCT01363544, Ref. No. NCT01363544. Both NF and MPH resulted in comparable reductions in theta power from pre- to postintervention during the EO condition compared to PA (ηp (2)  = .08 and .12). For NF, greater reductions in theta were related to greater reductions in ADHD symptoms. During the task condition, only MPH showed reductions in theta and alpha power compared to PA (ηp (2)  = .10 and .12). This study provides evidence for specific neurophysiological effects after theta/beta NF and MPH treatment in children with ADHD. However, for NF these effects did not generalize to an active task condition, potentially explaining reduced behavioural effects of NF in the classroom. © 2016 Association for Child and Adolescent Mental Health.

Confocal laser Raman microspectroscopy of biomineralization foci in UMR 106 osteoblastic cultures reveals temporally synchronized protein changes preceding and accompanying mineral crystal deposition.

PubMed

Wang, Chuanyi; Wang, Yong; Huffman, Nichole T; Cui, Chaoying; Yao, Xiaomei; Midura, Sharon; Midura, Ronald J; Gorski, Jeff P

2009-03-13

Mineralization in UMR 106-01 osteoblastic cultures occurs within extracellular biomineralization foci (BMF) within 12 h after addition of beta-glycerol phosphate to cells at 64 h after plating. BMF are identified by their enrichment with an 85-kDa glycoprotein reactive with Maackia amurensis lectin. Laser Raman microspectroscopic scans were made on individual BMF at times preceding (64-76 h) and following the appearance of mineral crystals (76-88 h). The range of variation between spectra for different BMF in the same culture was rather small. In contrast, significant differences were observed for spectral bands at 957-960, 1004, and 1660 cm(-1) when normalized BMF spectra at different times were compared. Protein-dependent spectral bands at 1004 and 1660 cm(-1) increased and then decreased preceding the detection of hydroxyapatite crystals via the phosphate stretching peak at 959-960 cm(-1). When sodium phosphate was substituted for beta-glycerol phosphate, mineralization occurred 3-6 h earlier. Irrespective of phosphate source, the Raman full peak width at half-maximum ratio for 88 h cultures was similar to that for 10-day-old marrow ablation primary bone. However, if mineralization was blocked with serine protease inhibitor 4-(2-aminoethyl)benzenesulfonyl fluoride hydrochloride, 64-88-h BMF spectra remained largely invariant. In summary, Raman spectral data demonstrate for the first time that formation of hydroxyapatite crystals within individual BMF is a multistep process. Second, changes in protein-derived signals at 1004 and 1660 cm(-1) reflect events within BMFs that precede or accompany mineral crystal production because they are blocked by mineralization inhibitor 4-(2-aminoethyl)benzenesulfonyl fluoride hydrochloride. Finally, the low extent of spectral variability detected among different BMF at the same time point indicates that mineralization of individual BMF within a culture is synchronized.

Impact of different cultivation and induction regimes on the structure of cytosolic inclusion bodies of TEM1-beta-lactamase.

PubMed

Margreiter, Gerd; Schwanninger, Manfred; Bayer, Karl; Obinger, Christian

2008-10-01

The enzyme TEM1-beta-lactamase has been used as a model to study the impact of different cultivation and induction regimes on the structure of cytosolic inclusion bodies (IBs). The protein has been heterologously expressed in Escherichia coli in fed-batch cultivations at different temperatures (30, 37, and 40 degrees C) as well as induction regimes that guaranteed distinct product formation rates and ratios of soluble to aggregated protein. Additionally, shake flask cultivations at 20, 30, and 37 degrees C were performed. IBs were sampled during the whole bioprocess and structural analysis was performed by attenuated total reflectance Fourier transform infrared (ATR-FT-IR) spectroscopy. This work clearly demonstrates that the tested production regimes and rates had no impact on the IB structure, which was characterized by decreased alpha-helical and increased and modified beta-sheet contents compared to the native protein. Moreover, aggregates formed during refolding of IBs by solubilization and simple dilution showed very similar FT-IR spectra suggesting (i) the existence of only one critical folding step from which either aggregation (IB formation) or native folding branches off, and (ii) underlining the important role of the specific amino acid sequence in aggregation. The findings are discussed with respect to the known structure of TEM1-beta-lactamase and the reported kinetics of its (un)folding as well as contradictory data on the effect of cultivation regimes on IB structure(s) of other proteins.

Motion of spin label side chains in cellular retinol-binding protein: correlation with structure and nearest-neighbor interactions in an antiparallel beta-sheet.

PubMed

Lietzow, Michael A; Hubbell, Wayne L

2004-03-23

A goal in the development of site-directed spin labeling in proteins is to correlate the motion of a nitroxide side chain with local structure, interactions, and dynamics. Significant progress toward this goal has been made using alpha-helical proteins of known structure, and the present study is the first step in a similar exploration of a beta-sheet protein, cellular retinol-binding protein (CRBP). Nitroxide side chains were introduced along both interior and edge strands. At sites in interior strands, the side-chain motion is strongly influenced by interactions with side chains of neighboring strands, giving rise to a rich variety of dynamic modes (weakly ordered, strongly ordered, immobilized) and complex electron paramagnetic resonance spectra that are modulated by strand twist. The interactions giving rise to the dynamic modes are explored using mutagenesis, and the results demonstrate the particular importance of the non-hydrogen-bonded neighbor residue in giving rise to highly ordered states. Along edge strands of the beta-sheet, the motion of the side chain is simple and weakly ordered, resembling that at solvent-exposed surfaces of an alpha-helix. A simple working model is proposed that can account for the wide variety of dynamic modes encountered. Collectively, the results suggest that the nitroxide side chain is an effective probe of side-chain interactions, and that site-directed spin labeling should be a powerful means of monitoring conformational changes that involve changes in beta-sheet topology.

Beta delayed neutrons for nuclear structure and astrophysics

NASA Astrophysics Data System (ADS)

Grzywacz, Robert

2014-09-01

Beta-delayed neutron emission (β xn) is a significant or even dominant decay channel for the majority of very neutron-rich nuclei, especially for those on the r-process path. The recent theoretical models predicts that it may play more significant role then previously expected for astrophysics and this realization instigated a renewed experimental interest in this topic as a part of a larger scope of research on beta-decay strength distribution. Because studies of the decay strength directly probe relevant physics on the microscopic level, energy-resolved measurements of the beta-decay strength distribution is a better test of nuclear models than traditionally used experimental observables like half-lives and neutron branching ratios. A new detector system called the Versatile Array of Neutron Detectors at Low Energy (VANDLE) was constructed to directly address this issue. In its first experimental campaign at the Holifield Radioactive Ion Beam Facility neutron energy spectra in key regions of the nuclear chart were measured: near the shell closures at 78Ni and 132Sn, and for the deformed nuclei near 100Rb. In several cases, unexpectedly intense and concentrated, resonant-like, high-energy neutron structures were observed. These results were interpreted within shell model framework which clearly indicated that these neutron emission is driven by nuclear structure effects and are due to large Gamow-Teller type transition matrix elements. This research was sponsored in part by the National Nuclear Security Administration under the Stewardship Science Academic Alliances program through DOE Cooperative Agreement No. DE-FG52-08NA28552.

The Reddening law outside the local group galaxies: The case of NGC 7552 and NGC 5236

NASA Technical Reports Server (NTRS)

Kinney, Anne L.; Calzetti, Daniela; Bica, Eduardo; Storchi-Bergmann, Thaisa

1994-01-01

The dust reddening law from the UV to the near-IR for the extended regions of galaxies is here derived from the spectral distributions of the starburst spiral galaxies NGC 7552 and NGC 5236. The centers of these galaxies have similar absorption and emission line spectra, differing only if the strength of their interstellar lines and in the continuum distribution, with NGC 7552 appearing more reddened than NGC 5236. The disk of NGC 7552 is more inclined, and there is evidence that its center is observed through additional foreground dust and gas clouds, as compared to the center of NGC 5236. While the galaxies can be expected to have similar dust content, they are known to have different dust path lengths to our line of sight. Therefore, differences in the shape of the spectra can be attributed mainly to the effects of dust, allowing us to probe for the first time the properties of the reddening law outside the local group of galaxies. We derive the reddening law based on the optical depth of the emission line of H Alpha and H Beta and also based on the continuum distribtuion. We find that the optical depth from the emission line regions are about twice the optical depth of the continuum regions. Thus, dereddening a starburst galaxy by scaling the Milky Way reddening laws to optical depths obtained from the H Alpha/H Beta line ratio overcompensates for the effect of dust.

Matrix-assisted ultraviolet laser desorption/ionization time-of-flight mass spectrometry of beta-(1 --> 3), beta-(1 --> 4)-xylans from Nothogenia fastigiata using nor-harmane as matrix.

PubMed

Fukuyama, Yuko; Kolender, Adriana A; Nishioka, Masae; Nonami, Hiroshi; Matulewicz, María C; Erra-Balsells, Rosa; Cerezo, Alberto S

2005-01-01

Three xylan fractions isolated from the red seaweed Nothogenia fastigiata (Nemaliales) were analyzed by ultraviolet matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (UV-MALDI-TOFMS). UV-MALDI-TOFMS was carried out in the linear and reflectron modes, and as routine in the positive and negative ion modes. Of the several matrices tested, nor-harmane was the only effective one giving good spectra in the positive ion mode. The number-average molar masses of two of the fractions, calculated from the distribution profiles, were lower than those determined previously by (1)H NMR analysis, suggesting a decrease in the ionization efficiency with increasing molecular weight; weight-average molar mass and polydispersity index were also determined. As the xylans retained small but significant quantities of calcium salts, the influence of added Ca(2+) as CaCl(2) on UV-MALDI-MS was investigated. The simultaneous addition of sodium chloride and calcium chloride was also analyzed. Addition of sodium chloride did not change the distribution profile of the native sample showing that the inhibitory effect is due to Ca(2+) and not to Cl(-). Addition of calcium chloride with 1:1 analyte/salt molar ratio gave spectra with less efficient desorption/ionization of oligomers; the signals of these oligomers were completely suppressed when the addition of the salt became massive (1:100 analyte/salt molar ratio). Copyright (c) 2005 John Wiley & Sons, Ltd.

Analysis of the structural organization and thermal stability of two spermadhesins. Calorimetric, circular dichroic and Fourier-transform infrared spectroscopic studies.

PubMed

Menéndez, M; Gasset, M; Laynez, J; López-Zumel, C; Usobiaga, P; Töpfer-Petersen, E; Calvete, J J

1995-12-15

The CUB domain is a widespread 110-amino-acid module found in functionally diverse, often developmentally regulated proteins, for which an antiparallel beta-barrel topology similar to that in immunoglobulin V domains has been predicted. Spermadhesins have been proposed as a subgroup of this protein family built up by a single CUB domain architecture. To test the proposed structural model, we have analyzed the structural organization of two members of the spermadhesin protein family, porcine seminal plasma proteins I/II (PSP-I/PSP-II) heterodimer and bovine acidic seminal fluid protein (aSFP) homodimer, using differential scanning calorimetry, far-ultraviolet circular dichroism and Fourier-transform infrared spectroscopy. Thermal unfolding of PSP-I/PSP-II and aSFP were irreversible and followed a one-step process with transition temperatures (Tm) of 60.5 degrees C and 78.6 degrees C, respectively. The calorimetric enthalpy changes (delta Hcat) of thermal denaturation were 439 kJ/mol for PSP-I/PSP-II and 660 kJ/mol for aSFP dimer. Analysis of the calorimetric curves of PSP-I/PSP-II showed that the entire dimer constituted the cooperative unfolding unit. Fourier-transform infrared spectroscopy and deconvolution of circular dichroic spectra using a convex constraint analysis indicated that beta-structure and turns are the major structural element of both PSP-I/PSP-II (53% of beta-sheet, 21% of turns) and aSFP (44% of beta-sheet, 36% of turns), and that the porcine and the bovine proteins contain little, if any, alpha-helical structure. Taken together, our results indicate that the porcine and the bovine spermadhesin molecules are probably all-beta-structure proteins, and would support a beta-barrel topology like that predicted for the CUB domain. Other beta-structure folds, such as the Greek-key pattern characteristic of many carbohydrate-binding protein domains cannot be eliminated. Finally, the same combination of biophysical techniques was used to characterize the residual secondary structure of thermally denatured forms of PSP-I/PSP-II and aSFP, and to emphasize the aggregation tendency of these forms.

Application of adjusted data in calculating fission-product decay energies and spectra

NASA Astrophysics Data System (ADS)

George, D. C.; Labauve, R. J.; England, T. R.

1982-06-01

The code ADENA, which approximately calculates fussion-product beta and gamma decay energies and spectra in 19 or fewer energy groups from a mixture of U235 and Pu239 fuels, is described. The calculation uses aggregate, adjusted data derived from a combination of several experiments and summation results based on the ENDF/B-V fission product file. The method used to obtain these adjusted data and the method used by ADENA to calculate fission-product decay energy with an absorption correction are described, and an estimate of the uncertainty of the ADENA results is given. Comparisons of this approximate method are made to experimental measurements, to the ANSI/ANS 5.1-1979 standard, and to other calculational methods. A listing of the complete computer code (ADENA) is contained in an appendix. Included in the listing are data statements containing the adjusted data in the form of parameters to be used in simple analytic functions.

Photospheric soft X-ray emission from hot DA white dwarfs

NASA Technical Reports Server (NTRS)

Wesemael, F.; Raymond, J. C.; Kahn, S. M.; Liebert, J.; Steiner, J. E.; Shipman, H. L.

1984-01-01

The Einstein Observatory's imaging proportional counter has detected 150-eV soft X-ray radiation from the four hot DA white dwarfs EG 187, Gr 288 and 289, and LB 1663. The observed pulse height spectra suggest that the emission is generated by hot photospheres whose T(eff) lie in the 30,000-60,000 K range. The IUE spacecraft UV spectra and H-beta line profiles for the four stars have been fitted, along with the X-ray fluxes, with a grid of hot, high gravity, homogeneous model atmospheres of mixed H-He composition. In all cases, the data require the presence of some X-ray opacity in the photosphere. Attention is given to the implications of this result in the context of white dwarf surface layer diffusion theories. Also noted are the limits imposed on the hot white dwarf population by the Einstein Medium Sensitivity Survey.

Circular dichroism of stem bromelain: a third spectral class within the family of cysteine proteinases.

PubMed Central

Arroyo-Reyna, A; Hernandez-Arana, A; Arreguin-Espinosa, R

1994-01-01

Two forms of stem bromelain (EC 3.4.22.4) were isolated from commercial, crude and chromatographically purified preparations of the enzyme by means of gel-filtration and cation-exchange liquid chromatography. These forms possess nearly identical secondary and tertiary structures, as judged from their circular dichroism (c.d.) spectra. The spectral characteristics of stem bromelain suggest that this enzyme belongs to the alpha + beta protein class, as other cysteine proteinases do. In agreement with these results, quantitative estimation of secondary structures yielded amounts similar to those for papain and proteinase omega. However, the bromelain c.d. curve is clearly distinguishable from those reported for papain and proteinase omega, on one hand, and that of chymopapain, on the other. Thus, it is apparent that there are at least three types of c.d. spectra associated with the family of cysteine proteinases. PMID:8198520

Spectroscopic Diagnostics and an Arc Jet Heated Air Plasma

NASA Technical Reports Server (NTRS)

Mack, Larry Howard, Jr.

1996-01-01

Spectral radiation measurements were made in the range of 200 to 900 nm across a section of the plenum of an arc jet wind tunnel using a series of optical fibers. The spectra contained line radiation from Oxygen and Nitrogen atoms and molecular radiation from N2(+), N2, and NO. Abel inversion technique is used to obtain radial distribution of the spectra. The analysis yielded radial profiles of the electronic excitation, vibrational and rotational temperatures of the flow field. Spectral fitting yielded branching ratios for different vibrational and rotational bands. Relatively mild flow conditions, i.e. enthalpy and mass flow rate, were used for prolonged measurements of up to and over two hours to establish the best experimental methods of temperature determinations. Signal to noise was improved by at least an order of magnitude enabling the molecular vibrational band heads of N2(+) (first negative system), N2 (second positive system), and NO (beta, gamma, delta, and epsilon systems) to be resolved in the lower ultraviolet wavelength regions. The increased signal to noise ratio also enabled partial resolution of the rotational lines of N2(+) and N2 in certain regions of minimal overlap. Comparison of the spectra with theoretical models such as the NEQAIR2 code are presented and show potential for fitting the spectra when reliable calibration is performed for the complete wavelength range.

[Studies on the chemical constituents from Cissus pteroclada].

PubMed

Chi, Cui-Yun; Wang, Feng; Lei, Ting; Xu, Shao-Yu; Hong, Ai-Hua; Cen, Ying-Zhou

2010-10-01

To study the chemical constituents of Yao Medicine Cissus pteroclada. The compounds were isolated and purified by column chromatography with silica gel, TLC and recrystallization. Their structures were elucidated on the basis of physicochemical properties and spectra analysis. Six compounds were isolated and identified as beta-sitosterol (I), bergenin (II), 11-O-galloylbergenin (III), 11-O-(4-hydroxy benzoyl) bergenin (IV), gallic acid (V), daucosterol (VI). Compounds III and NIV are obtained from the genus for the first time. All the compounds are isolated from this plant for the first time except the compound II.

Simultaneous measurement of tritium and radiocarbon by ultra-low-background proportional counting

DOE PAGES

Mace, Emily; Aalseth, Craig; Alexander, Tom; ...

2016-12-21

Use of ultra-low-background capabilities at Pacific Northwest National Laboratory provide enhanced sensitivity for measurement of low-activity sources of tritium and radiocarbon using proportional counters. Tritium levels are nearly back to pre-nuclear test backgrounds (~2-8 TU in rainwater), which can complicate their dual measurement with radiocarbon due to overlap in the beta decay spectra. In this paper, we present results of single-isotope proportional counter measurements used to analyze a dual-isotope methane sample synthesized from ~120 mg of H 2O and present sensitivity results.

Silk from crickets: a new twist on spinning.

PubMed

Walker, Andrew A; Weisman, Sarah; Church, Jeffrey S; Merritt, David J; Mudie, Stephen T; Sutherland, Tara D

2012-01-01

Raspy crickets (Orthoptera: Gryllacrididae) are unique among the orthopterans in producing silk, which is used to build shelters. This work studied the material composition and the fabrication of cricket silk for the first time. We examined silk-webs produced in captivity, which comprised cylindrical fibers and flat films. Spectra obtained from micro-Raman experiments indicated that the silk is composed of protein, primarily in a beta-sheet conformation, and that fibers and films are almost identical in terms of amino acid composition and secondary structure. The primary sequences of four silk proteins were identified through a mass spectrometry/cDNA library approach. The most abundant silk protein was large in size (300 and 220 kDa variants), rich in alanine, glycine and serine, and contained repetitive sequence motifs; these are features which are shared with several known beta-sheet forming silk proteins. Convergent evolution at the molecular level contrasts with development by crickets of a novel mechanism for silk fabrication. After secretion of cricket silk proteins by the labial glands they are fabricated into mature silk by the labium-hypopharynx, which is modified to allow the controlled formation of either fibers or films. Protein folding into beta-sheet structure during silk fabrication is not driven by shear forces, as is reported for other silks.

Length dependence of electron transport through molecular wires--a first principles perspective.

PubMed

Khoo, Khoong Hong; Chen, Yifeng; Li, Suchun; Quek, Su Ying

2015-01-07

One-dimensional wires constitute a fundamental building block in nanoscale electronics. However, truly one-dimensional metallic wires do not exist due to Peierls distortion. Molecular wires come close to being stable one-dimensional wires, but are typically semiconductors, with charge transport occurring via tunneling or thermally-activated hopping. In this review, we discuss electron transport through molecular wires, from a theoretical, quantum mechanical perspective based on first principles. We focus specifically on the off-resonant tunneling regime, applicable to shorter molecular wires (<∼4-5 nm) where quantum mechanics dictates electron transport. Here, conductance decays exponentially with the wire length, with an exponential decay constant, beta, that is independent of temperature. Different levels of first principles theory are discussed, starting with the computational workhorse - density functional theory (DFT), and moving on to many-electron GW methods as well as GW-inspired DFT + Sigma calculations. These different levels of theory are applied in two major computational frameworks - complex band structure (CBS) calculations to estimate the tunneling decay constant, beta, and Landauer-Buttiker transport calculations that consider explicitly the effects of contact geometry, and compute the transmission spectra directly. In general, for the same level of theory, the Landauer-Buttiker calculations give more quantitative values of beta than the CBS calculations. However, the CBS calculations have a long history and are particularly useful for quick estimates of beta. Comparing different levels of theory, it is clear that GW and DFT + Sigma calculations give significantly improved agreement with experiment compared to DFT, especially for the conductance values. Quantitative agreement can also be obtained for the Seebeck coefficient - another independent probe of electron transport. This excellent agreement provides confirmative evidence of off-resonant tunneling in the systems under investigation. Calculations show that the tunneling decay constant beta is a robust quantity that does not depend on details of the contact geometry, provided that the same contact geometry is used for all molecular lengths considered. However, because conductance is sensitive to contact geometry, values of beta obtained by considering conductance values where the contact geometry is changing with the molecular junction length can be quite different. Experimentally measured values of beta in general compare well with beta obtained using DFT + Sigma and GW transport calculations, while discrepancies can be attributed to changes in the experimental contact geometries with molecular length. This review also summarizes experimental and theoretical efforts towards finding perfect molecular wires with high conductance and small beta values.

IUE Spectra and photoionization models of the Seyfert 2 glaxies NGC 7674 and I Zw 92

NASA Technical Reports Server (NTRS)

Kraemer, Steven B.; Wu, Chi-Chao; Crenshaw, D. Michael; Harrington, J. Patrick

1994-01-01

The physical conditions in the narrow-line regions of two Seyfert 2 galaxies, NGC 7674 and I Zw 92, are examined using IUE spectra, published optical spectra and multifrequency observations, and photoionization models. For each Seyfert galaxy, the emission-line fluxes were dereddened using the He II lambda(1640)/lambda(4686) ratio. Photoionization models were calculated using a power-law index determined from the He II lambda(4686)/H-beta ratio; the index is very similar to that obtained from a fit to the observed multifrequency continuum from the infrared to the X-rays. The models were calculated in a way that minimized the number of assumptions, and given the uncertainties in the reddening corrections, the calculated ratios match nearly all of the dereddened ratios successfully. a multicomponent model (three components with different densities and ionization parameters) was required to fit the spectrum of I Zw 92, whereas a single component was sufficient for NGC 7674. The CNO abundances are close to solar, although a reduced abundance of up to one-third solar for one or more of the heavy elements is possible. In contrast to a previous study of Mrk 3, dust inside the narrow-line region (NLR) louds was not required to fit the spectra of these two Seyfert galaxies, although the emission lines experience considerable reddening from external dust. Higher signal-to-noise spectra in the UV are essential for placing further restrictions on the reddening and physical conditions in the narrow-line regions of Seyfert galaxies.

Double-beta decay with majoron emission in GERDA Phase I

NASA Astrophysics Data System (ADS)

Hemmer, Sabine

2015-07-01

Neutrinoless double-beta decay with emission of one or two majorons (0 νββχ( χ)) is predicted by several beyond-Standard-Model theories. This article reviews the results of a search for 0 νββχ( χ) of 76Ge using data from the Germanium Detector Array (GERDA) experiment, located underground at the INFN Laboratori Nazionali del Gran Sasso (LNGS) in Italy. The analysis comprised data with an exposure of 20.3 kg·yr from the first phase of the experiment. No indication of contributions to the observed energy spectra was detected for any of the majoron models. The lower limit on the half-life for the ordinary majoron model (spectral index n = 1 was determined to be T {1/2/0 νβ } > 4.2 · 1023 yr (90% quantile). This limit and the limits derived for the other majoron modes constitute the most stringent limits on 0 νββχ( χ) decay of 76Ge measured to date.

Raman structural studies of the nickel electrode

NASA Technical Reports Server (NTRS)

Cornilsen, B. C.

1985-01-01

Raman spectroscopy is sensitive to empirically controlled nickel electrode structural variations, and has unique potential for structural characterization of these materials. How the structure relates to electrochemical properties is examined so that the latter can be more completely understood, controlled, and optimized. Electrodes were impregnated and cycled, and cyclic voltammetry is being used for electrochemical characterization. Structural variation was observed which has escaped detection using other methods. Structural changes are induced by: (1) cobalt doping, (2) the state of change or discharge, (3) the preparation conditions and type of buffer used, and (4) the formation process. Charged active mass has an NiOOH-type structure, agreeing with X-ray diffraction results. Discharged active mass, however, is not isostructural with beta-Ni(OH)2. Chemically prepared alpha phases are not isostructural either. A disordered structural model, containing point defects, is proposed for the cycled materials. This model explains K(+) incorporation. Band assignments were made and spectra interpreted for beta-Ni(OH)2, electrochemical NiOOH and chemically precipitated NiOOH.

An Emission Measure Analysis of Stars Near the Transition Region Dividing Line

NASA Astrophysics Data System (ADS)

Linsky, Jeffery L.

We request high dispersion, short wavelength IUE spectra for three of the stars beta Gem (K0III), alpha Tau (K5III), epsilon Gem (G81b) and beta Cam (G0Ib) with exposure times of 16 hours or greater. These data will allow the measurement of line profiles, widths and Doppler shifts as well as density sensitive and opacity sensitive line ratios. Models of chromospheric and transition region structure will be calculated by emission measure techniques and model atmosphere computations for optically thick resonance lines such as MgII h and k, including partial redistribution radiation transfer. The chromospheric models will be used to investigate the energy balance of the atmosphere and the nature of the energy deposition processes. These results will be considered in relation to the evolutionary status of the stars, and will be compared with the atmospheric model properties of other stars previously studied by the authors and their collaborators.

Atomic Physics with the Goddard High Resolution Spectrograph on the Hubble Space Telescope. III; Oscillator Strengths for Neutral Carbon

NASA Technical Reports Server (NTRS)

Zsargo, J.; Federman, S. R.; Cardelli, Jason A.

1997-01-01

High quality spectra of interstellar absorption from C I toward beta(sup 1) S(sub co), rho O(sub ph) A, and chi O(sub ph) were obtained with the Goddard High Resolution Spectrograph on HST. Many weak lines were detected within the observed wavelength intervals: 1150-1200 A for beta(sup 1) S(sub co) and 1250-1290 A for rho O(sub ph) A and chi O(sub ph). Curve-of-growth analyses were performed in order to extract accurate column densities and Doppler parameters from lines with precise laboratory-based f-values. These column densities and b-values were used to obtain a self-consistent set of f-values for all the observed C I lines. A particularly important constraint was the need to reproduce data for more than one line of sight. For about 50% of the lines, the derived f-values differ appreciably from the values quoted by Morton.

Waveform Analysis Optimization for the 45Ca Beta Decay Experiment

NASA Astrophysics Data System (ADS)

Whitehead, Ryan; ⁴⁵Ca Collaboration

2017-09-01

The 45Ca experiment is searching for a non-zero Fierz interference term, which would imply a tensor type contribution to the low-energy weak interaction, possibly signaling Beyond-the-Standard-Model (BSM) physics. Beta spectrum measurements are being performed at LANL, using the segmented, large area, Si detectors developed for the Nab and UCNB experiments. 109 events have been recorded, with 38 of the 254 pixels instrumented, during the summers of 2016 and 2017. An important step to extracting the energy spectra is the correction of the waveform for pile-up events. A set of analysis tools has been developed to address this issue. A trapezoidal filter has been characterized and optimized for the experimental waveforms. This filter is primarily used for energy extraction, but, by adjusting certain parameters, it has been modified to identify pile-up events. The efficiency varies with the total energy of the particle and the amount deposited with each detector interaction. Preliminary results of this analysis will be presented.

Jamming of three-dimensional prolate granular materials.

PubMed

Desmond, K; Franklin, Scott V

2006-03-01

We have found that the ability of long thin rods to jam into a solidlike state in response to a local perturbation depends upon both the particle aspect ratio and the container size. The dynamic phase diagram in this parameter space reveals a broad transition region separating granular stick-slip and solidlike behavior. In this transition region the pile displays both solid and stick-slip behavior. We measure the force on a small object pulled through the pile, and find the fluctuation spectra to have power law tails with an exponent characteristic of the region. The exponent varies from beta=-2 in the stick-slip region to beta=-1 in the solid region. These values reflect the different origins--granular rearrangements vs dry friction--of the fluctuations. Finally, the packing fraction shows only a slight dependence on container size, but depends on aspect ratio in a manner predicted by mean-field theory and implies an aspect-ratio-independent contact number of =5.25 +/- 0.03.

Total absorption γ -ray spectroscopy of the β -delayed neutron emitters Br 87 , Br 88 , and Rb 94

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

Valencia, E.; Tain, J. L.; Algora, A.

2017-02-01

We investigate the decay of Br-87,Br-88 and Rb-94 using total absorption gamma-ray spectroscopy. These important fission products are beta-delayed neutron emitters. Our data show considerable beta gamma intensity, so far unobserved in high-resolution gamma-ray spectroscopy, from states at high excitation energy. We also find significant differences with the beta intensity that can be deduced from existing measurements of the beta spectrum. We evaluate the impact of the present data on reactor decay heat using summation calculations. Although the effect is relatively small it helps to reduce the discrepancy between calculations and integral measurements of the photon component for U-235 fissionmore » at cooling times in the range 1-100 s. We also use summation calculations to evaluate the impact of present data on reactor antineutrino spectra. We find a significant effect at antineutrino energies in the range of 5 to 9 MeV. In addition, we observe an unexpected strong probability for. emission from neutron unbound states populated in the daughter nucleus. The. branching is compared to Hauser-Feshbach calculations, which allow one to explain the large value for bromine isotopes as due to nuclear structure. However the branching for Rb-94, although much smaller, hints of the need to increase the radiative width gamma by one order of magnitude. This increase in gamma would lead to a similar increase in the calculated (n, gamma) cross section for this very neutron-rich nucleus with a potential impact on r process abundance calculations.« less

Steps toward determination of the size and structure of the broad-line region in active galactic nuclei. 6: Variability of NGC 3783 from ground-based data

NASA Technical Reports Server (NTRS)

Stirpe, G. M.; Winge, C.; Altieri, B.; Alloin, D.; Aguero, E. L.; Anupama, G. C.; Ashley, R.; Bertram, R.; Calderon, J. H.; Catchpole, R. M.

1994-01-01

The Seyfert 1 galaxy NGC 3783 was intensely monitored in several bands between 1991 December and 1992 August. This paper presents the results from the ground-based observations in the optical and near-IR bands, which complement the data set formed by the International Ultraviolet Explorer (IUE) spectra, discussed elsewhere. Spectroscopic and photometric data from several observatories were combined in order to obtain well-sampled light curves of the continuum and of H(beta). During the campaign the source underwent significant variability. The light curves of the optical continuum and of H(beta) display strong similarities to those obtained with the IUE. The near-IR flux did not vary significantly except for a slight increase at the end of the campaign. The cross-correlation analysis shows that the variations of the optical continuum have a lag of 1 day or less with respect to those of the UV continuum, with an uncertainty of is less than or equal to 4 days. The integrated flux of H(beta) varies with a delay of about 8 days. These results confirm that (1) the continuum variations occur simultaneously or with a very small lag across the entire UV-optical range, as in the Seyfert galaxy NGC 5548; and (2) the emission lines of NGC 3783 respond to ionizing continuum variations with less delay than those of NGC 5548. As observed in NGC 5548, the lag of H(beta) with respect to the continuum is greater than those of the high-ionization lines.

Assignments of /sup 1/H nuclear magnetic resonances of the cystyl, asparaginyl, and aromatic residues of arginine vasopressin in D/sub 2/O. A comparison with lysine vasopressin and oxytocin in terms of solution conformation

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

Wyssbrod, H.R.; Fischman, A.J.; Live, D.H.

1979-07-18

The resonances of the C/sup ..cap alpha../ and C/sup ..beta../ protons of the cystyl, asparaginyl, and aromatic residues of (8-arginine)vasopressin (AVP) in D/sub 2/O at pD 3.8 and 20/sup 0/C were assigned in a rigorous manner by the use of isotopic isomers of AVP that contain specific replacements of protons by deuterons and by comparison of /sup 1/H NMR characteristics of AVP to those of (8-lysine)vasopressin (LVP) and oxytocin (OT). Although there is extensive overlap of resonances of C/sup ..beta../ protons even at 360 MHz, all of the chemical shifts of these protons and most of the couplings between themmore » and their vicinal C/sup ..cap alpha../ protons could be determined, at least to a first approximation. It was concluded that the cyclic moieties (residues 1-6) of AVP, LVP, and OT possess essentially the same overall backbone conformation, and that the side-chain conformation - or rotamer populations - about the C/sup ..cap alpha../-C/sup ..beta../ bonds of the cystyl residue (positions 1 and 6), the tyrosyl residue (position 2), and the asparaginyl residue (position 5) are similar. This study indicates that selective replacements of C/sup ..beta../ protons by deuterons are necessary to improve the accuracy of coupling constants extracted from 360-MHz spectra of a AVP for use in conformational analysis.« less

Methylation of zebularine: a quantum mechanical study incorporating interactive 3D pdf graphs.

PubMed

Selvam, Lalitha; Vasilyev, Vladislav; Wang, Feng

2009-08-20

Methylation of a cytidine deaminase inhibitor, 1-(beta-D-ribofuranosyl)-2-pyrimidone (i.e., zebularine (zeb)), which produces 1-(beta-D-ribofuranosyl)-5-methyl-2-pyrimidinone (d5), has been investigated using density functional theory models. The optimized structures of zeb and d5 and the valence orbitals primarily responsible for the methylation in d5 are presented using state-of-the-art interactive (on a computer or online) three-dimensional (3D) graphics in a portable document format (pdf) file, 3D-PDF (http://www.web3d.org/x3d/vrml/ ). The facility to embed 3D molecular structures into pdf documents has been developed jointly at Swinburne University of Technology and the National Computational Infrastructure, the Australian National University. The methyl fragment in the base moiety shows little effect on the sugar puckering but apparently affects anisotropic properties, such as condensed Fukui functions. Binding energy spectra, both valence space and core space, are noticeably affected; in particular, in the outer-valence space (e.g., IP < 20 eV). The methyl fragment delocalizes and diffuses into almost all valence space, but orbitals 8 (57a, IP = 12.57 eV), 18 (47a, IP = 14.70 eV), and 37 (28a, IP = 22.15 eV) are identified as fingerprint for the methyl fragment. In the inner shell, however, the impact of the methyl can be localized and identified by chemical shift. A small, global, red shift is found for the O-K, N-K and sugar C-K spectra, whereas the base C-K spectrum exhibits apparent methyl-related changes.

The 11 micron Silicon Carbide Feature in Carbon Star Shells

NASA Technical Reports Server (NTRS)

Speck, A. K.; Barlow, M. J.; Skinner, C. J.

1996-01-01

Silicon carbide (SiC) is known to form in circumstellar shells around carbon stars. SiC can come in two basic types - hexagonal alpha-SiC or cubic beta-SiC. Laboratory studies have shown that both types of SiC exhibit an emission feature in the 11-11.5 micron region, the size and shape of the feature varying with type, size and shape of the SiC grains. Such a feature can be seen in the spectra of carbon stars. Silicon carbide grains have also been found in meteorites. The aim of the current work is to identity the type(s) of SiC found in circumstellar shells and how they might relate to meteoritic SiC samples. We have used the CGS3 spectrometer at the 3.8 m UKIRT to obtain 7.5-13.5 micron spectra of 31 definite or proposed carbon stars. After flux-calibration, each spectrum was fitted using a chi(exp 2)-minimisation routine equipped with the published laboratory optical constants of six different samples of small SiC particles, together with the ability to fit the underlying continuum using a range of grain emissivity laws. It was found that the majority of observed SiC emission features could only be fitted by alpha-SiC grains. The lack of beta-SiC is surprising, as this is the form most commonly found in meteorites. Included in the sample were four sources, all of which have been proposed to be carbon stars, that appear to show the SiC feature in absorption.

Functional metagenomics reveals a novel carbapenem-hydrolyzing mobile beta-lactamase from Indian river sediments contaminated with antibiotic production waste.

PubMed

Marathe, Nachiket P; Janzon, Anders; Kotsakis, Stathis D; Flach, Carl-Fredrik; Razavi, Mohammad; Berglund, Fanny; Kristiansson, Erik; Larsson, D G Joakim

2018-03-01

Evolution has provided environmental bacteria with a plethora of genes that give resistance to antibiotic compounds. Under anthropogenic selection pressures, some of these genes are believed to be recruited over time into pathogens by horizontal gene transfer. River sediment polluted with fluoroquinolones and other drugs discharged from bulk drug production in India constitute an environment with unprecedented, long-term antibiotic selection pressures. It is therefore plausible that previously unknown resistance genes have evolved and/or are promoted here. In order to search for novel resistance genes, we therefore analyzed such river sediments by a functional metagenomics approach. DNA fragments providing resistance to different antibiotics in E. coli were sequenced using Sanger and PacBio RSII platforms. We recaptured the majority of known antibiotic resistance genes previously identified by open shot-gun metagenomics sequencing of the same samples. In addition, seven novel resistance gene candidates (six beta-lactamases and one amikacin resistance gene) were identified. Two class A beta-lactamases, bla RSA1 and bla RSA2 , were phylogenetically close to clinically important ESBLs like bla GES , bla BEL and bla L2 , and were further characterized for their substrate spectra. The blaRSA1 protein, encoded as an integron gene cassette, efficiently hydrolysed penicillins, first generation cephalosporins and cefotaxime, while blaRSA2 was an inducible class A beta-lactamase, capable of hydrolyzing carbapenems albeit with limited efficiency, similar to the L2 beta-lactamase from Stenotrophomonas maltophilia. All detected novel genes were associated with plasmid mobilization proteins, integrons, and/or other resistance genes, suggesting a potential for mobility. This study provides insight into a resistome shaped by an exceptionally strong and long-term antibiotic selection pressure. An improved knowledge of mobilized resistance factors in the external environment may make us better prepared for the resistance challenges that we may face in clinics in the future. Copyright © 2017 Elsevier Ltd. All rights reserved.

Study of solar wind spectra by nonlinear waves interaction

NASA Astrophysics Data System (ADS)

Dwivedi, Navin; Sharma, Rampal; Narita, Yasuhito

2014-05-01

The nature of small-scale turbulent fluctuations in the solar wind (SW) turbulence is a topic that is being investigated extensively nowadays, both theoretically and observationally. Although recent observations predict the evidence of the dominance of kinetic Alfvén waves (KAW) at sub-ion scales with frequency below than ion cyclotron frequency, while other studies suggest that the KAW mode cannot carry the turbulence cascade down to electron scales and that the whistler mode is more relevant. In the present work, nonlinear interaction of kinetic Alfvén wave with whistler wave is considered as one of the possible cause responsible for the solar wind turbulence. A set of coupled dimensionless equations are derived for the intermediate beta plasmas and the nonlinear interaction between these two wave modes has been studied. As a consequence of ponderomotive nonlinearity, the pump KAW becomes filamented when its power exceeds the threshold for the filamentation instability. Whistler is considered to be weak and thus doesn't have enough intensity to initiate its own localization. It gets localized while propagating through the density channel created by KAW localization. In addition, spectral scales of power spectra of KAW and whistler are also calculated. The steeper spectra are found with scaling greater than -5/3. This type of nonlinear interaction between different wave modes and steeper spectra is one of the reasons for the solar wind turbulence and particles acceleration. This work is partially supported by DST (India) and FP7/STORM (313038)

A dynamical study on extrasolar comets

NASA Astrophysics Data System (ADS)

Loibnegger, B.; Dvorak, R.

2017-09-01

Since the detection of absorption features in spectra of beta Pictoris varying on short time scales it is known that comets exist in other stellar systems. We investigate the dynamics of comets in two differently build systems (HD 10180 and HIP 14810). The outcomes of the scattering process, as there are collisions with the planets, captures and ejections from the systems are analysed statistically. Collisions and close encounters with the planets are investigated in more detail in order to conclude about transport of water and organic material. We will also investigate the possibility of detection of comets in other planetary systems.

Treatment Characteristics of Second Order Structure of Proteins Using Low-Pressure Oxygen RF Plasma

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

Hayashi, Nobuya; Nakahigashi, Akari; Kawaguchi, Ryutaro

2010-10-13

Removal of proteins from the surface of medical equipments is attempted using oxygen plasma produced by RF discharge. FTIR spectra indicate that the bonding of C-H and N-H in the casein protein is reduced after irradiation of oxygen plasma. Also, the second order structure of a protein such as {alpha}-helix and {beta}-sheet are modified by the oxygen plasma. Complete removal of casein protein with the concentration of 0.016 mg/cm{sup 2} that is equivalent to remnants on the medical equipment requires two hours avoiding the damage to medical equipments.

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

Koyanagi, T.; Lance, M. J.; Katoh, Y.

Raman spectra from polycrystalline beta-silicon carbide (SiC) were collected following neutron irradiation at 380–1180 °C to 0.011–1.87 displacement per atom. The longitudinal optical (LO) peak shifted to a lower frequency and broadened as a result of the irradiation. The changes observed in the LO phonon line shape and position in neutron-irradiated SiC are explained by a combination of changes in the lattice constant and Young's modulus, and the phonon confinement effect. The phonon confinement model reasonably estimates the defect-defect distance in the irradiated SiC, which is consistent with results from previous experimental studies and simulations.

Simultaneous measurement of tritium and radiocarbon by ultra-low-background proportional counting.

PubMed

Mace, Emily; Aalseth, Craig; Alexander, Tom; Back, Henning; Day, Anthony; Hoppe, Eric; Keillor, Martin; Moran, Jim; Overman, Cory; Panisko, Mark; Seifert, Allen

2017-08-01

Use of ultra-low-background capabilities at Pacific Northwest National Laboratory provide enhanced sensitivity for measurement of low-activity sources of tritium and radiocarbon using proportional counters. Tritium levels are nearly back to pre-nuclear test backgrounds (~2-8 TU in rainwater), which can complicate their dual measurement with radiocarbon due to overlap in the beta decay spectra. We present results of single-isotope proportional counter measurements used to analyze a dual-isotope methane sample synthesized from ~120mg of H 2 O and present sensitivity results. Copyright © 2017 Elsevier Ltd. All rights reserved.

Time-resolved spectroscopy and photometry of the eclipsing AM Herculis binary EXO 033319 - 2554.2

NASA Technical Reports Server (NTRS)

Allen, Richard G.; Berriman, Graham; Smith, Paul S.; Schmidt, Gary D.

1989-01-01

Time-resolved optical observations of the eclipsing AM Herculis binary EXO 033319 - 2554.2 are presented. High-speed photometry of an eclipse is presented and used to derive a new ephemeris for the system and to estimate the size of the region responsible for the cyclotron emission. Optical spectra that span the orbital cycle are presented, the cyclotron emission in these spectra is discussed, and the flux and radial velocity variations of H-beta, H-gamma, and He II 4686 A are examined. Models of the flux and radial velocity variations of the emission lines indicate that about half the line emission comes from low-velocity material that is about 1.4 x 10 to the 10th cm from the white dwarf. The rest comes from high-velocity material that is about 10 to the 10th cm from the white dwarf and is moving toward it at about 600 km/s.

Molecular spectroscopy of CH Cygni in the 1998-2000 active phas

NASA Astrophysics Data System (ADS)

Kotnik-Karuza, D.; Jurdana-Sepic, R.; Majlinger, Z.

The subject of this study is the very peculiar symbiotic binary CH Cygni, in particular the physical conditions in the photosphere of its cool component. The latter has been classified as an M late type giant due to its spectral appearance in the optical and near IR spectral region during quiescent and active phases. Several consecutive spectra obtained with different exposure times covering the region lambda 4800-9000 A were obtained on 24/25 November 1999 which means that they belong to the 1998-2000 active phase. We have concentrated our investigations on the TiO absorption bands which are the most outstanding feature in these spectra. The bands, some of which give evidence of a partly resolved rotational structure, have been identified as members of the alpha, gamma, gamma prim, beta, delta, phi and epsilon band systems. Measurement of the band head relative intensities and some other features in their structure have led to determination of temperatures of the coolest layers in the red giant's photosphere.

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

Zhang Yueyang; Deng Licai; Liu Chao

A total of {approx}640, 000 objects from the LAMOST pilot survey have been publicly released. In this work, we present a catalog of DA white dwarfs (DAWDs) from the entire pilot survey. We outline a new algorithm for the selection of white dwarfs (WDs) by fitting Sersic profiles to the Balmer H{beta}, H{gamma}, and H{delta} lines of the spectra, and calculating the equivalent width of the Ca II K line. Two thousand nine hundred sixty-four candidates are selected by constraining the fitting parameters and the equivalent width of the Ca II K line. All the spectra of candidates are visuallymore » inspected. We identify 230 DAWDs (59 of which are already included in the Villanova and SDSS WD catalogs), 20 of which are DAWDs with non-degenerate companions. In addition, 128 candidates are classified as DAWDs/subdwarfs, which means the classifications are ambiguous. The result is consistent with the expected DAWD number estimated based on the LEGUE target selection algorithm.« less

Experimental study of cluster formation in binary mixture of H2O and H2SO4 vapors in the presence of an ionizing radiation source

NASA Technical Reports Server (NTRS)

Singh, J. J.; Smith, A. C.; Yue, G. K.

1980-01-01

Molecular clusters formed in pure nitrogen containing H2O and H2SO4 vapors and exposed to a 3 mCi Ni63 beta source were studied in the mass range 50 to 780 amu using a quadrupole mass spectrometer. Measurements were made under several combinations of relative humidity and relative acidity ranging from 0.7 to 7.5 percent and 0.00047 to 0.06333 percent, respectively. The number of H2SO4 molecules in the clusters observed ranged from 1 to 7 whereas the number of H2O molecules ranged from 1 to 16. The experimental cluster spectra differ considerably from those calculated using the classical nucleation theory. First order calculations using modified surface tension values and including the effects of multipole moments of the nucleating molecules indicate that these effects may be enough to explain the difference between the measured and the calculated spectra.

Application of ion-induced nucleation mass spectrometry in the analysis of trace gases evolved from a polyimide film during the thermal curing stages

NASA Technical Reports Server (NTRS)

Smith, A. C.

1982-01-01

Trace gases evolved from a polyimide film during its thermal curing stages have been studied using ion-induced nucleation mass spectrometry. The technique involved exposing the test gas sample to a low energy beta source and recording the masses of the ion-induced molecular clusters formed in the reaction chamber. On the basis of the experimentally observed molecular cluster spectra, it has been concluded that the dominant trace component had a molecular weight of 87 atomic mass units. This component has been identified as a molecule of dimethylacetamide (DMAC) which had been used as a solvent in the preparation of the test polyimide specimen. This identification has been further confirmed by comparing the spectra of the test gas sample and the DMAC calibration sample obtained with a conventional mass spectrometer. The advantages of the ion-induced nucleation mass spectrometer versus the conventional mass spectrometer are discussed.

Analysis of internal structure changes in black human hair keratin fibers with aging using Raman spectroscopy.

PubMed

Kuzuhara, Akio; Fujiwara, Nobuki; Hori, Teruo

To investigate the internal structure changes in virgin black human hair keratin fibers due to aging, the structure of cross-sections at various depths of virgin black human hair (sections of new growth hair: 2 mm from the scalp) from a group of eight Japanese females in their twenties and another group of eight Japanese females in their fifties were analyzed using Raman spectroscopy. For the first time, we have succeeded in recording the Raman spectra of virgin black human hair, which had been impossible due to high melanin granule content. The key points of this method are to cross-section hair samples to a thickness of 1.50-microm, to select points at various depths of the cortex with the fewest possible melanin granules, and to optimize laser power, cross slit width as well as total acquisition time. The reproducibility of the Raman bands, namely the alpha-helix (alpha) content, the beta-sheet and/or random coil (beta/R) content, the disulfide (--SS--) content, and random coil content of two adjoining cross-sections of a single hair keratin fiber was clearly good. The --SS-- content of virgin black human hair from the Japanese females in their fifties for the cortex region decreased compared with that of the Japanese females in their twenties. On the other hand, the beta/R and alpha contents of the cortex region did not change.

Effects of selected materials and geometries on the beta dose equivalent rate in a tissue equivalent phantom immersed in infinite clouds of 133Xe

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

Piltingsrud, H.V.; Gels, G.L.

1986-06-01

Most calculations of dose equivalent (D.E.) rates at 70-micron tissue depths in tissue equivalent (T.E.) phantoms from infinite clouds (radius exceeds maximum beta range in air) of /sup 133/Xe do not consider the possible effects of clothing overlays. Consequently, a series of measurements were made using a 1-mm-thick plastic scintillation detector assembly mounted in a tissue equivalent (T.E.) phantom with an overlay of 70 micron of T.E. material. This assembly was placed in an infinite cloud containing a known concentration of /sup 133/Xe. Material samples were placed at selected distances from the detector phantom, both individually and in various combinations.more » Pulse-height spectra resulting from beta radiations were converted to relative D.E. rates at a 70-micron tissue depth. The relative D.E. rates were reduced from values with no clothing cover by as little as 45% when placing a single thin nylon cloth 1 cm from the phantom, to 94% for a T-shirt material plus wool material plus denim placed 1/2, 1 and 3 cm, respectively, from the phantom. The results indicate that even loosely fitting clothing can have an important effect on reducing the D.E. rate. Close-fitting clothing appears to provide better protection.« less

Analysis of the IUE spectra of the strongly interacting binary beta Lyrae

NASA Technical Reports Server (NTRS)

Mccluskey, George E., Jr.

1993-01-01

The six-band ultraviolet light curves of beta Lyrae obtained with the Orbiting Astronomical Observatory A-2 in 1970 exhibited a very unusual behavior. The secondary minimum deepened at shorter wavelength, indicating that one was not observing light variations caused primarily by the eclipses of two stars having a roughly Planckian energy distribution. It was then suggested that the light variations were caused by a viewing angle effect of an optically-thick, ellipsoidal circumbinary gas cloud. Since 1978 beta Lyrae has been observed with the International Ultraviolet Explorer (IUE) satellite. We have constructed ultraviolet light curves from the IUE archival data for comparison with the OAO-A2 results. We find that they are in substantial agreement with each other. The Voyager ultraviolet spectrometer was also used to observe this binary during a period covered by IUE observations. The Voyager results agree with those of the two other satellite observatories at wavelengths longer than about 1350 A. However, in the wavelength region shorter than the Lyman-alpha line at 1216 A, the light curves at 1085 A and 965 A show virtually no light variation except an apparent flaring near phase 0.7, which is also in evidence at longer wavelengths. We suggest that the optically-thick circumbinary gas cloud, which envelops the two stars completely, assumes a roughly spherical shape when observed at these shorter wavelengths.

Non-Linear Cosmological Power Spectra in Real and Redshift Space

NASA Technical Reports Server (NTRS)

Taylor, A. N.; Hamilton, A. J. S.

1996-01-01

We present an expression for the non-linear evolution of the cosmological power spectrum based on Lagrangian trajectories. This is simplified using the Zel'dovich approximation to trace particle displacements, assuming Gaussian initial conditions. The model is found to exhibit the transfer of power from large to small scales expected in self-gravitating fields. Some exact solutions are found for power-law initial spectra. We have extended this analysis into red-shift space and found a solution for the non-linear, anisotropic redshift-space power spectrum in the limit of plane-parallel redshift distortions. The quadrupole-to-monopole ratio is calculated for the case of power-law initial spectra. We find that the shape of this ratio depends on the shape of the initial spectrum, but when scaled to linear theory depends only weakly on the redshift-space distortion parameter, beta. The point of zero-crossing of the quadrupole, kappa(sub o), is found to obey a simple scaling relation and we calculate this scale in the Zel'dovich approximation. This model is found to be in good agreement with a series of N-body simulations on scales down to the zero-crossing of the quadrupole, although the wavenumber at zero-crossing is underestimated. These results are applied to the quadrupole-to-monopole ratio found in the merged QDOT plus 1.2-Jy-IRAS redshift survey. Using a likelihood technique we have estimated that the distortion parameter is constrained to be beta greater than 0.5 at the 95 percent level. Our results are fairly insensitive to the local primordial spectral slope, but the likelihood analysis suggests n = -2 un the translinear regime. The zero-crossing scale of the quadrupole is k(sub 0) = 0.5 +/- 0.1 h Mpc(exp -1) and from this we infer that the amplitude of clustering is sigma(sub 8) = 0.7 +/- 0.05. We suggest that the success of this model is due to non-linear redshift-space effects arising from infall on to caustic and is not dominated by virialized cluster cores. The latter should start to dominate on scales below the zero-crossing of the quadrupole, where our model breaks down.

Conformational changes of the amyloid beta-peptide (1-40) adsorbed on solid surfaces.

PubMed

Giacomelli, Carla E; Norde, Willem

2005-05-23

The conformational change of the 39-43 residues of the amyloid beta-peptide (Abeta) toward a beta-sheet enriched state promotes self-aggregation of the peptide molecules and constitutes the major peptide component of the amyloid plaques in Alzheimer patients. The crucial question behind the self-aggregation of Abeta is related to the different pathways the peptide may take after cleavage from the amyloid precursor proteins at cellular membranes. This work is aiming at determining the conformation of the Abeta (1-40) adsorbed on hydrophobic Teflon and hydrophilic silica particles, as model sorbent surfaces mimicking the apolar transmembrane environment and the polar, charged membrane surface, respectively. The mechanism by which the Abeta interacts with solid surfaces strongly depends on the hydrophobic/hydrophilic character of the particles. Hydrophobic and electrostatic interactions contribute differently in each case, causing a completely different conformational change of the adsorbed molecules on the two surfaces. When hydrophobic interactions between the peptide and the sorbent prevail, the adsorbed Abeta (1-40) mainly adopts an alpha-helix conformation due to H-bonding in the apolar part of the peptide that is oriented towards the surface. On the other hand, when the peptide adsorbs by electrostatic interactions beta-sheet formation is promoted due to intermolecular association between the apolar parts of the adsorbed peptide. Irrespective of the characteristics of the solid sorbent, crowding the surface results in intermolecular association between adsorbed molecules leading to a strong aggregation tendency of the Abeta (1-40). [Diagram: see text] CD spectra of Abeta (1-40) at pH 7: A) in solution ([Abeta]=0.2 mg.ml(-1)) freshly prepared (line) and after overnight incubation (symbols);B) on Teflon (Gamma=0.5 mg.m(-2)).

Oscillations in sensorimotor cortex in movement disorders: an electrocorticography study.

PubMed

Crowell, Andrea L; Ryapolova-Webb, Elena S; Ostrem, Jill L; Galifianakis, Nicholas B; Shimamoto, Shoichi; Lim, Daniel A; Starr, Philip A

2012-02-01

Movement disorders of basal ganglia origin may arise from abnormalities in synchronized oscillatory activity in a network that includes the basal ganglia, thalamus and motor cortices. In humans, much has been learned from the study of basal ganglia local field potentials recorded from temporarily externalized deep brain stimulator electrodes. These studies have led to the theory that Parkinson's disease has characteristic alterations in the beta frequency band (13-30 Hz) in the basal ganglia-thalamocortical network. However, different disorders have rarely been compared using recordings in the same structure under the same behavioural conditions, limiting straightforward assessment of current hypotheses. To address this, we utilized subdural electrocorticography to study cortical oscillations in the three most common movement disorders: Parkinson's disease, primary dystonia and essential tremor. We recorded local field potentials from the arm area of primary motor and sensory cortices in 31 subjects using strip electrodes placed temporarily during routine surgery for deep brain stimulator placement. We show that: (i) primary motor cortex broadband gamma power is increased in Parkinson's disease compared with the other conditions, both at rest and during a movement task; (ii) primary motor cortex high beta (20-30 Hz) power is increased in Parkinson's disease during the 'stop' phase of a movement task; (iii) the alpha-beta peaks in the motor and sensory cortical power spectra occur at higher frequencies in Parkinson's disease than in the other two disorders; and (iv) patients with dystonia have impaired movement-related beta band desynchronization in primary motor and sensory cortices. The findings support the emerging hypothesis that disease states reflect abnormalities in synchronized oscillatory activity. This is the first study of sensorimotor cortex local field potentials in the three most common movement disorders.

Development of in-vitro models to elucidate mechanisms of intrinsic cellular and tissue fluorescence

NASA Astrophysics Data System (ADS)

Savage, Howard E.; Kolli, Venkateswara; Saha, Sanjoy; Zhang, Jian C.; Glasgold, Mark; Sacks, Peter G.; Alfano, Robert R.; Schantz, Stimson P.

1995-04-01

In vitro cell model systems have been used to study the mechanisms of intrinsic cellular and tissue fluorescence as a potential biomarker for cancer. Phenotypic characteristics of cancer that are different from normal tissue include changes in histoarchitecture, proliferation rates and differentiation. a nitrosmethlybenzylamine (NMBA)/rat esophageal carcinogenesis model (NMBA), a transforming growth factor beta (TGF- (beta) )/normal epithelial cell model, and a retinoic acid (RA)/multicellular tumor spheroid model (RAMTS) were used to assess fluorescence changes associated respectively with changes in histoarchitecture, proliferation rates and differentiation. A xenon based fluorescence spectrophotometer (Mediscience Corp.) was used to collect excitation and emission spectra. Two excitation scans ((lambda) Ex 200-360 nm, (lambda) Em 380 nm; (lambda) Ex 240-430 nm, (lambda) Em 450 nm) and two emission scans ((lambda) Ex 300 nm, (lambda) Em 320-580 nm; (lambda) Ex 340 nm, (lambda) Em 360-660 nm) were used to analyze the three model systems. Using the NMBA model. Differences were seen in the excitation scan ((lambda) Ex 200-360 nm, (lambda) Em 380 nm) and the emission scan ((lambda) Ex 340 nm, (lambda) Em 360-660 nm) when normal rat esophageal tissue was compared to hyperplastic and tumor tissue. In the (TGF-(beta) ) model, differences were seen in the excitation scan ((lambda) Ex 240-430 nm, (lambda) Em 450 nm) when comparing proliferation slowed (TGF-(beta) treated) epithelial cells to their untreated controls. In the RAMTS model, differences were seen with all four scans when RA treated multicellular tumor spheroids (nondifferentiating) were compared to untreated control cells (differentiating). The data indicate that fluorescence changes seen in these model systems may relate to changes in histoarchitecture, proliferation rates and differentiation. Their relationship to in vivo fluorescence changes seen in cancer patients remains to be elucidated.

Zinc ion-induced domain organization in metallo-beta-lactamases: a flexible "zinc arm" for rapid metal ion transfer?

PubMed

Selevsek, Nathalie; Rival, Sandrine; Tholey, Andreas; Heinzle, Elmar; Heinz, Uwe; Hemmingsen, Lars; Adolph, Hans W

2009-06-12

The reversible unfolding of metallo-beta-lactamase from Chryseobacterium meningosepticum (BlaB) by guanidinium hydrochloride is best described by a three-state model including folded, intermediate, and unfolded states. The transformation of the folded apoenzyme into the intermediate state requires only very low denaturant concentrations, in contrast to the Zn2-enzyme. Similarly, circular dichroism spectra of both BlaB and metallo-beta-lactamase from Bacillus cereus 569/H/9 (BcII) display distinct differences between metal-free and Zn2-enzymes, indicating that the zinc ions affect the folding of the proteins, giving a larger alpha-helix content. To identify the regions of the protein involved in this zinc ion-induced change, a hydrogen deuterium exchange study with matrix-assisted laser desorption ionization tandem time of flight mass spectrometry on metal-free and Zn1- and Zn2-BcII was carried out. The region spanning the metal binding metallo-beta-lactamases (MBL) superfamily consensus sequence His-X-His-X-Asp motif and the loop connecting the N- and C-terminal domains of the protein undergoes a zinc ion-dependent structural change between intrinsically disordered and ordered states. The inherent flexibility even appears to allow for the formation of metal ion-bridged protein-protein complexes which may account for both electrospray ionization-mass spectroscopy results obtained upon variation of the zinc/protein ratio and stoichiometry-dependent variations of 199mHg-perturbed angular correlation of gamma-rays spectroscopic data. We suggest that this flexible "zinc arm" motif, present in all the MBL subclasses, is disordered in metal-free MBLs and may be involved in metal ion acquisition from zinc-carrying molecules different from MBL in an "activation on demand" regulation of enzyme activity.

Molecular and structural characteristics in toxic algae cultures of Ostreopsis ovata and Ostreopsis spp. evidenced by FTIR and FTNIR spectroscopy

NASA Astrophysics Data System (ADS)

Mecozzi, Mauro; Pietroletti, Marco; Tornambè, Andrea

2011-05-01

In this article we investigated the compositional and structural characteristics of the principal biomolecules such as carbohydrates, proteins, lipids, nucleic acids and chlorophyll pigments present in biofilm cultures of Ostreopsis spp. and in batch cultures of Ostreopsis ovata. Our approach based on the use of infrared (FTIR) and near infrared (FTNIR) spectroscopy showed the marked differences existing between biofilm cultures and batch cultures. FTIR spectroscopy showed the higher contents of polysaccharides and chlorophyll pigments in O. ovata from batch cultures with respect to Ostreopsis spp. Second derivative FTIR spectroscopy showed different features concerning the secondary structure of proteins because in O. ovata samples the beta sheet and beta turn structures were observed whereas in Ostreopsis spp. samples the alpha helix structure was the most evident. FTNIR spectroscopy showed other structural differences observed existing between O. ovata and Ostreopsis spp. mainly related to hydrogen bond interactions determining more packed structures in the nucleus of O. ovata. In addition, the interpretation of FTIR and FTNIR spectral information was also supported by the application of two statistical methods, the independent component analysis (ICA) and the spectral cross correlation analysis (SCCA). ICA was used as spectral deconvolution technique to separate the effects of the interference bicarbonate ion from algal FTIR spectra so to verify the high similar qualitative composition of the three biofilm samples of Ostreopsis spp. At last, SCCA applied to FTIR and FTNIR spectra was useful to evidence some structural differences involving -CH and CH 2 groups of aliphatic chains in O. ovata and Ostreopsis spp. samples. Though preliminary, these results agree with some previous studies suggesting that the presence of different ecophysiological characteristics in O. ovata and Ostreopsis spp. depending on the parameters related to the condition growth.

MALDI imaging mass spectrometry analysis-A new approach for protein mapping in multiple sclerosis brain lesions.

PubMed

Maccarrone, Giuseppina; Nischwitz, Sandra; Deininger, Sören-Oliver; Hornung, Joachim; König, Fatima Barbara; Stadelmann, Christine; Turck, Christoph W; Weber, Frank

2017-03-15

Multiple sclerosis is a disease of the central nervous system characterized by recurrent inflammatory demyelinating lesions in the early disease stage. Lesion formation and mechanisms leading to lesion remyelination are not fully understood. Matrix Assisted Laser Desorption Ionisation Mass Spectrometry imaging (MALDI-IMS) is a technology which analyses proteins and peptides in tissue, preserves their spatial localization, and generates molecular maps within the tissue section. In a pilot study we employed MALDI imaging mass spectrometry to profile and identify peptides and proteins expressed in normal-appearing white matter, grey matter and multiple sclerosis brain lesions with different extents of remyelination. The unsupervised clustering analysis of the mass spectra generated images which reflected the tissue section morphology in luxol fast blue stain and in myelin basic protein immunohistochemistry. Lesions with low remyelination extent were defined by compounds with molecular weight smaller than 5300Da, while more completely remyelinated lesions showed compounds with molecular weights greater than 15,200Da. An in-depth analysis of the mass spectra enabled the detection of cortical lesions which were not seen by routine luxol fast blue histology. An ion mass, mainly distributed at the rim of multiple sclerosis lesions, was identified by liquid chromatography and tandem mass spectrometry as thymosin beta-4, a protein known to be involved in cell migration and in restorative processes. The ion mass of thymosin beta-4 was profiled by MALDI imaging mass spectrometry in brain slides of 12 multiple sclerosis patients and validated by immunohistochemical analysis. In summary, our results demonstrate the ability of the MALDI-IMS technology to map proteins within the brain parenchyma and multiple sclerosis lesions and to identify potential markers involved in multiple sclerosis pathogenesis and/or remyelination. Copyright © 2016 Elsevier B.V. All rights reserved.

Sci-Sat AM: Radiation Dosimetry and Practical Therapy Solutions - 11: Commissioning of a system for the measurement of electron stopping powers

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

McEwen, Malcolm; Roy, Timothy; Tessier, Frederic

Purpose: To develop the techniques required to experimentally determine electron stopping powers for application in primary standards and dosimetry protocols. Method and Materials: A large-volume HPGe detector system (>80% efficiency) was commissioned for the measurement of high energy (5–35 MeV) electron beams. As a proof of principle the system was used with a Y-90/Sr-90 radioactive source. Thin plates of absorbing material (< 0.1 gcm-2) were then placed between the source and detector and the emerging electron spectrum was acquired. The full experimental geometry was modelled using the EGSnrc package to validate the detector design, optimize the experimental setup and comparemore » measured and calculated spectra. Results: The biggest challenge using a beta source was to identify a robust spectral parameter to determine for each measurement. An end-point-fitting routine was used to determine the maximum energy, Emax, of the beta spectrum for each absorber thickness t. The parameter dEmax/dt is related to the electron stopping power and the same routine was applied to both measured and simulated spectra. Although the standard uncertainty in dEmax/dt was of the order of 5 %, by taking the ratio of measured and Monte Carlo values for dEmax/dt the uncertainty of the fitting routine was eliminated and the uncertainty was reduced to less than 2 %. The agreement between measurement and simulation was within this uncertainty estimate. Conclusion: The investigation confirmed the experimental approach and demonstrated that EGSnrc could accurately determine correction factors that will be required for the final measurement setup in a linac beam.« less

Optical spectroscopic methods for probing the conformational stability of immobilised enzymes.

PubMed

Ganesan, Ashok; Moore, Barry D; Kelly, Sharon M; Price, Nicholas C; Rolinski, Olaf J; Birch, David J S; Dunkin, Ian R; Halling, Peter J

2009-07-13

We report the development of biophysical techniques based on circular dichroism (CD), diffuse reflectance infrared Fourier transform (DRIFT) and tryptophan (Trp) fluorescence to investigate in situ the structure of enzymes immobilised on solid particles. Their applicability is demonstrated using subtilisin Carlsberg (SC) immobilised on silica gel and Candida antartica lipase B immobilised on Lewatit VP.OC 1600 (Novozyme 435). SC shows nearly identical secondary structure in solution and in the immobilised state as evident from far UV CD spectra and amide I vibration bands. Increased near UV CD intensity and reduced Trp fluorescence suggest a more rigid tertiary structure on the silica surface. After immobilised SC is inactivated, these techniques reveal: a) almost complete loss of near UV CD signal, suggesting loss of tertiary structure; b) a shift in the amide I vibrational band from 1658 cm(-1) to 1632 cm(-1), indicating a shift from alpha-helical structure to beta-sheet; c) a substantial blue shift and reduced dichroism in the far UV CD, supporting a shift to beta-sheet structure; d) strong increase in Trp fluorescence intensity, which reflects reduced intramolecular quenching with loss of tertiary structure; and e) major change in fluorescence lifetime distribution, confirming a substantial change in Trp environment. DRIFT measurements suggest that pressing KBr discs may perturb protein structure. With the enzyme on organic polymer it was possible to obtain near UV CD spectra free of interference by the carrier material. However, far UV CD, DRIFT and fluorescence measurements showed strong signals from the organic support. In conclusion, the spectroscopic methods described here provide structural information hitherto inaccessible, with their applicability limited by interference from, rather than the particulate nature of, the support material.

Silver nanoparticle production by Rhizopus stolonifer and its antibacterial activity against extended spectrum {beta}-lactamase producing (ESBL) strains of Enterobacteriaceae

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

Banu, Afreen; Rathod, Vandana, E-mail: drvandanarathod@rediffmail.com; Ranganath, E.

Highlights: {yields} Silver nanoparticle production by using Rhizopus stolonifer. {yields} Antibacterial activity of silver nanoparticles against extended spectrum {beta}-lactamase producing (ESBL) strains of Enterobacteriaceae. {yields} Synergistic effect of antibiotics with silver nanoparticles towards ESBL-strains. {yields} Characterization of silver nanoparticles made by UV-vis spectra, scanning electron microscopy (SEM), transmission electron microscopy (TEM), Fourier transformed infrared (FTIR) spectroscopy, atomic force microscopy (AFM). -- Abstract: This report focuses on the synthesis of silver nanoparticles using the fungus, Rhizopus stolonifer and its antimicrobial activity. Research in nanotechnology highlights the possibility of green chemistry pathways to produce technologically important nanomaterials. Characterization of newly synthesized silvermore » nanoparticles was made by UV-visible absorption spectroscopy, scanning electron microscope (SEM), transmission electron microscope (TEM), Fourier transform infrared (FTIR) spectroscopy and atomic force microscope (AFM). TEM micrograph revealed the formation of spherical nanoparticles with size ranging between 3 and 20 nm. The biosynthesized silver nanoparticles (AgNPs) showed excellent antibacterial activity against ESBL-strains which includes E. coli, Proteus. sp. and Klebsiella sp.« less

Discrete wavelet approach to multifractality

NASA Astrophysics Data System (ADS)

Isaacson, Susana I.; Gabbanelli, Susana C.; Busch, Jorge R.

2000-12-01

The use of wavelet techniques for the multifractal analysis generalizes the box counting approach, and in addition provides information on eventual deviations of multifractal behavior. By the introduction of a wavelet partition function Wq and its corresponding free energy (beta) (q), the discrepancies between (beta) (q) and the multifractal free energy r(q) are shown to be indicative of these deviations. We study with Daubechies wavelets (D4) some 1D examples previously treated with Haar wavelets, and we apply the same ideas to some 2D Monte Carlo configurations, that simulate a solution under the action of an attractive potential. In this last case, we study the influence in the multifractal spectra and partition functions of four physical parameters: the intensity of the pairwise potential, the temperature, the range of the model potential, and the concentration of the solution. The wavelet partition function Wq carries more information about the cluster statistics than the multifractal partition function Zq, and the location of its peaks contributes to the determination of characteristic sales of the measure. In our experiences, the information provided by Daubechies wavelet sis slightly more accurate than the one obtained by Haar wavelets.

Neutron-induced Backgrounds in 134Xe for Large-Scale Neutrinoless Double-Beta Decay Experiments

NASA Astrophysics Data System (ADS)

Moriguchi, Nina; Kidd, Mary; Tornow, Werner

2016-09-01

136Xe is used in large neutrinoless double-beta (0 νββ) decay experiments, such as KamLAND- Zen and EXO 200. Though highly purified, 136Xe still contains a significant amount of 134Xe. Recently, a new nuclear energy level was found in 134Xe. If 134Xe decays from this proposed excited state, it will emit a 2485.7 keV gamma ray. Because this energy lies near the region of interest of 136Xe νββ decay experiments (Q value 2457.8 keV), it could make a significant contribution to the background. A purified gaseous sample of 134Xe will be irradiated with neutrons of an incident energy of 4.0 MeV at Triangle Universities Nuclear Laboratory and monitored with high-purity germanium detectors. The spectra obtained from these detectors will be analyzed for the presence of the 2581 keV gamma ray. We will report on the status of this experiment. Future plans include expanding this measurement to higher initial neutron energies. Tennesse Tech University CISE Grant program.

Identification of antimutagenic substances in an extract of edible red alga, Porphyra tenera (Asakusa-nori)

PubMed

Okai, Y; Higashi-Okai, K; Yano, Y; Otani, S

1996-02-27

Recently, a relatively strong antimutagenic activity has been detected in the extract of Porphyra tenera (Asakusa-nori in Japanese) which showed a suppressive effect on mutagen-induced umu C gene expression in Salmonella typhimurium (TA 1535/pSK 1002 (Okai et al. (1994) Cancer Lett., 87, 25-32). In the present paper, we analyzed the active principles for the antimutagenic activity in an extract of Porphyra tenera and detected three color spots on a silica gel TLC plate which indicated very similar Rf values and absorbance spectra of standard pigments such as beta-carotene, chlorophyll a and lutein. The seaweed pigments recovered from preparative silica gel TLC corresponding to beta-carotene, chlorophyll a and lutein exhibited significant suppressive activities against mutagen-induced umu C gene expression and combined treatment with these pigments showed an additive effect compared with single treatment with each pigment. Furthermore, the standard pigments prepared from other biological sources also exhibited similar anti-mutagenic activities. The significance of this finding is discussed from the protective role of seaweed pigments against mutagenesis probably associated with carcinogenesis.

Stellar Activity and Outer Atmospheric Structure of Yellow Supergiants from HST STIS and GHRS Spectroscopy

NASA Astrophysics Data System (ADS)

Brown, A.; Ayres, T. R.; Harper, G. M.; Osten, R. A.; Linsky, J. L.; Dupree, A. K.; Jordan, C.

2000-05-01

Yellow supergiants with spectral types F-G show a complex pattern of outer atmospheric structure with stellar wind and activity indicators varying significantly for stars with similar positions in the H-R diagram. The efficiency of the processes driving their stellar winds and heating their atmospheres is critically dependent on the evolutionary position and surface gravity of each star. We present high-resolution ultraviolet HST/STIS and HST/GHRS spectra for a range of intermediate mass F and G supergiants, including Alpha Car (F0 Ib), Beta Cam (G0 Ib), Beta Dra (G2 Ib), and Epsilon Gem (G8 Ib), and compare the atmospheric properties of these stars with lower luminosity giants and bright giants. We provide a systematic overview of the supergiant atmospheric properties dealing particularly with activity levels, the presence of hot ``transition region'' plasma, signatures of wind outflow, and the role of overlying cool absorbing plasma that becomes increasingly prominent for the cooler stars like Epsilon Gem. This work is supported by HST grants for program GO-08280 and by NASA grant NAG5-3226.

Relationships between Electroencephalographic Spectral Peaks Across Frequency Bands

PubMed Central

van Albada, S. J.; Robinson, P. A.

2013-01-01

The degree to which electroencephalographic spectral peaks are independent, and the relationships between their frequencies have been debated. A novel fitting method was used to determine peak parameters in the range 2–35 Hz from a large sample of eyes-closed spectra, and their interrelationships were investigated. Findings were compared with a mean-field model of thalamocortical activity, which predicts near-harmonic relationships between peaks. The subject set consisted of 1424 healthy subjects from the Brain Resource International Database. Peaks in the theta range occurred on average near half the alpha peak frequency, while peaks in the beta range tended to occur near twice and three times the alpha peak frequency on an individual-subject basis. Moreover, for the majority of subjects, alpha peak frequencies were significantly positively correlated with frequencies of peaks in the theta and low and high beta ranges. Such a harmonic progression agrees semiquantitatively with theoretical predictions from the mean-field model. These findings indicate a common or analogous source for different rhythms, and help to define appropriate individual frequency bands for peak identification. PMID:23483663

Atmospherically Related Studies of O(D-1) and O2 (b'Sigma(sub g, sup +)

NASA Technical Reports Server (NTRS)

Slanger, Tom G.

1998-01-01

For the third year of the grant, we propose to investigate the (beta)'(Sigma)(sub g, sup +). Our earlier value of 0.77 +/- 0.23, which has been used for a long time, should be updated, and the error limits reduced. Current measurements in J. Barker's group at the University of Michigan have assigned a value closer to 0.9, and we will conduct a new evaluation. The goals of this project are to investigate various aspects of the photochemistry of O('D) and O2(beta)'(Sigma)(sub g, sup +) that are of relevance to the photochemistry and energy balance of the terrestrial atmosphere. Over the last six months, we have obtained new sky spectra data files from the Keck telescope via Don Osterbrock at UC Santa Cruz, and now 120 hours of data have been accumulated. Thus, we have been able to make large signal/noise improvements of the O2(b'(Sigma)(sub g, sup +) - X(sup 3)(Sigma)(Sub g, sup -) Atmospheric Band data that we are collecting.

Characteristics of Bremsstrahlung emissions of (177)Lu, (188)Re, and (90)Y for SPECT/CT quantification in radionuclide therapy.

PubMed

Uribe, Carlos F; Esquinas, Pedro L; Gonzalez, Marjorie; Celler, Anna

2016-05-01

Beta particles emitted by radioisotopes used in targeted radionuclide therapies (TRT) create Bremsstrahlung (BRS) which may affect SPECT quantification when imaging these isotopes. The purpose of the current study was to investigate the characteristics of Bremsstrahlung produced in tissue by three β-emitting radioisotopes used in TRT. Monte Carlo simulations of (177)Lu, (188)Re, and (90)Y sources placed in water filled cylinders were performed. BRS yields, mean energies and energy spectra for (a) all photons generated in the decays, (b) photons that were not absorbed and leave the cylinder, and (c) photons detected by the camera were analyzed. Next, the results of simulations were compared with those from experiments performed on a clinical SPECT camera using same acquisition conditions and phantom configurations as in simulations. Simulations reproduced relatively well the shapes of the measured spectra, except for (90)Y which showed an overestimation in the low energy range. Detailed analysis of the results allowed us to suggest best collimators and imaging conditions for each of the investigated isotopes. Finally, our simulations confirmed that the BRS contribution to the energy spectra in quantitative imaging of (177)Lu and (188)Re could be ignored. For (177)Lu and (188)Re, BRS contributes only marginally to the total spectra recorded by the camera. Our analysis shows that MELP and HE collimators are the best for imaging these two isotopes. For (90)Y, HE collimator should be used. Copyright © 2016 Associazione Italiana di Fisica Medica. Published by Elsevier Ltd. All rights reserved.

Nonparametric, Coupled ,Bayesian ,Dictionary ,and Classifier Learning for Hyperspectral Classification.

PubMed

Akhtar, Naveed; Mian, Ajmal

2017-10-03

We present a principled approach to learn a discriminative dictionary along a linear classifier for hyperspectral classification. Our approach places Gaussian Process priors over the dictionary to account for the relative smoothness of the natural spectra, whereas the classifier parameters are sampled from multivariate Gaussians. We employ two Beta-Bernoulli processes to jointly infer the dictionary and the classifier. These processes are coupled under the same sets of Bernoulli distributions. In our approach, these distributions signify the frequency of the dictionary atom usage in representing class-specific training spectra, which also makes the dictionary discriminative. Due to the coupling between the dictionary and the classifier, the popularity of the atoms for representing different classes gets encoded into the classifier. This helps in predicting the class labels of test spectra that are first represented over the dictionary by solving a simultaneous sparse optimization problem. The labels of the spectra are predicted by feeding the resulting representations to the classifier. Our approach exploits the nonparametric Bayesian framework to automatically infer the dictionary size--the key parameter in discriminative dictionary learning. Moreover, it also has the desirable property of adaptively learning the association between the dictionary atoms and the class labels by itself. We use Gibbs sampling to infer the posterior probability distributions over the dictionary and the classifier under the proposed model, for which, we derive analytical expressions. To establish the effectiveness of our approach, we test it on benchmark hyperspectral images. The classification performance is compared with the state-of-the-art dictionary learning-based classification methods.

Crystal chemistry of thorium nitrates and chromates

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

Sigmon, Ginger E.; Burns, Peter C., E-mail: pburns@nd.ed

2010-07-15

The structures and infrared spectra of six novel thorium compounds are reported. Th(NO{sub 3}){sub 2}(OH){sub 2}(H{sub 2}O){sub 2} (1) crystallizes in space group C2/c, a=14.050(1), b=8.992(7), c=5.954(5) A, {beta}=101.014(2){sup o}. K{sub 2}Th(NO{sub 3}){sub 6} (2), P-3, a=13.606(1), c=6.641(6) A. (C{sub 12}H{sub 28}N){sub 2}Th(NO{sub 3}){sub 6} (3), P2{sub 1}/c, a=14.643(4), b=15.772(5), c=22.316(5) A, {beta}=131.01(1){sup o}. KTh(NO{sub 3}){sub 5}(H{sub 2}O){sub 2} (4), P2{sub 1}/c, a=10.070(8), b=12.731(9), c=13.231(8) A, {beta}=128.647(4){sup o}. Th(CrO{sub 4}){sub 2}(H{sub 2}O){sub 2} (5), P2{sub 1}/n, a=12.731(1), b=9.469(8), c=12.972(1) A, {beta}=91.793(2){sup o}. K{sub 2}Th{sub 3}(CrO{sub 4}){sub 7}(H{sub 2}O){sub 10} (6), Ama2, a=19.302(8), b=15.580(6), c=11.318(6) A. The coordination polyhedra about Thmore » in these structures are diverse. Th is coordinated by 9 O atoms in 5 and 6, seven of which are from monodentate (CrO{sub 4}) tetrahedra and two are (H{sub 2}O). The Th in compound 1 is coordinated by ten O atoms, four of which are O atoms of two bidentate (NO{sub 3}) triangles and six of which are (OH) and (H{sub 2}O). In compounds 2, 3 and 4 the Th is coordinate by 12 O atoms. In 2 and 3 there are six bidentate (NO{sub 3}) triangles, and in 4 ten of the O atoms are part of five bidentate (NO{sub 3}) triangles and the others are (H{sub 2}O) groups. The structural units of these compounds consist of a chain of thorium and nitrate polyhedra (1), isolated thorium hexanitrate clusters (2, 3), an isolated thorium pentanitrate dihydrate cluster (4), and a sheet (6) and framework (5) of thorium and chromate polyhedra. These structures illustrate the complexity inherent in the crystal chemistry of Th. - Graphical Abstract: The structures and infrared spectra of four new Th nitrates and two Th chromates are reported. The coordination numbers of the Th cations range from nine to 12 in these compounds. Structural units consist of isolated clusters, chains, sheets and frameworks.« less

Detection of supernova neutrinos at spallation neutron sources

NASA Astrophysics Data System (ADS)

Huang, Ming-Yang; Guo, Xin-Heng; Young, Bing-Lin

2016-07-01

After considering supernova shock effects, Mikheyev-Smirnov-Wolfenstein effects, neutrino collective effects, and Earth matter effects, the detection of supernova neutrinos at the China Spallation Neutron Source is studied and the expected numbers of different flavor supernova neutrinos observed through various reaction channels are calculated with the neutrino energy spectra described by the Fermi-Dirac distribution and the “beta fit” distribution respectively. Furthermore, the numerical calculation method of supernova neutrino detection on Earth is applied to some other spallation neutron sources, and the total expected numbers of supernova neutrinos observed through different reactions channels are given. Supported by National Natural Science Foundation of China (11205185, 11175020, 11275025, 11575023)

Growth and characterization of a Li2Mg2(MoO4)3 scintillating bolometer

NASA Astrophysics Data System (ADS)

Danevich, F. A.; Degoda, V. Ya.; Dulger, L. L.; Dumoulin, L.; Giuliani, A.; de Marcillac, P.; Marnieros, S.; Nones, C.; Novati, V.; Olivieri, E.; Pavlyuk, A. A.; Poda, D. V.; Trifonov, V. A.; Yushina, I. V.; Zolotarova, A. S.

2018-05-01

Lithium magnesium molybdate (Li2Mg2(MoO4)3) crystals were grown by the low-thermal-gradient Czochralski method. Luminescence properties of the material (emission spectra, thermally stimulated luminescence, dependence of intensity on temperature, phosphorescence) have been studied under X-ray excitation in the temperature interval from 8 to 400 K, while at the same being operated as a scintillating bolometer at 20 mK for the first time. We demonstrated that Li2Mg2(MoO4)3 crystals are a potentially promising detector material to search for neutrinoless double beta decay of 100Mo.

Magnetic spectral signatures in the Earth's magnetosheath and plasma depletion layer

NASA Technical Reports Server (NTRS)

Anderson, Brian J.; Fuselier, Stephen A.; Gary, S. Peter; Denton, Richard E.

1994-01-01

Correlations between plasma properties and magnetic fluctuations in the sub-solar magnetosheath downstream of a quasi-perpendicular shock have been found and indicate that mirror and ion cyclotronlike fluctuations correlate with the magnetosheath proper and plasma depletion layer, respectively (Anderson and Fueselier, 1993). We explore the entire range of magnetic spectral signatures observed from the Active Magnetospheric Particle Tracer Explorers/Charge Composition Explorer (AMPTE/CCE)spacecraft in the magnetosheath downstream of a quasi-perpendicular shock. The magnetic spectral signatures typically progress from predominantly compressional fluctuations,delta B(sub parallel)/delta B perpendicular to approximately 3, with F/F (sub p) less than 0.2 (F and F (sub p) are the wave frequency and proton gyrofrequency, respectively) to predominantly transverse fluctuations, delta B(sub parallel)/delta B perpendicular to approximately 0.3, extending up to F(sub p). The compressional fluctuations are characterized by anticorrelation between the field magnitude and electron density, n(sub e), and by a small compressibility, C(sub e) identically equal to (delta n(sub e)/n(sub e)) (exp 2) (B/delta B(sub parallel)) (exp 2) approximately 0.13, indicative of mirror waves. The spectral characteristics of the transverse fluctuations are in agreement with predictions of linear Vlasov theory for the H(+) and He(2+) cyclotron modes. The power spectra and local plasma parameters are found to vary in concert: mirror waves occur for beta(s ub parallel p) (beta (sub parallel p) identically = 2 mu(sub zero) n(sub p) kT (sub parallel p) / B(exp 2) approximately = 2, A(sub p) indentically = T(sub perpendicular to p)/T(sub parallel p) - 1 approximately = 0.4, whereas cyclotron waves occur for beta (sub parallel p) approximately = 0.2 and A(sub p) approximately = 2. The transition from mirror to cyclotron modes is predicted by linear theory. The spectral characteristics overlap for intermediate plasma parameters. The plasma observations are described by A(sub p) = 0.85 beta(sub parallel P) (exp - 0.48) with a log regression coefficient of -0.74. This inverse A(sub p) - beta(sub parallel p) correlation corresponds closely to the isocontours of maximum ion anisotropy instability growth, gamma (sub m)/omega(sub p) = 0.01, for the mirror and cyclotron modes. The agreement of observed properties and predictions of local theory suggests that the spectral signatures reflect the local plasma environment and that the anisotropy instabilities regulate A(sub p). We suggest that the spectral characteristics may provide a useful basis for ordering observations in the magnetosheath and that the A(sub p) - beta(sub parallel p) inverse correlation may be used as a beta-dependent upper limit on the proton anisotropy to represent kinetic effects.

New Technique for Barium Daughter Ion Identification in a Liquid Xe-136 Double Beta Decay Experiment

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

Fairbank, William

2016-06-08

This work addresses long-standing issues of fundamental interest in elementary particle physics. The most important outcome of this work is a new limit on neutrinoless double beta decay. This is an extremely rare and long-sought-after type of radioactive decay. If discovered, it would require changes in the standard model of the elementary constituents of matter, and would prove that neutrinos and antineutrinos are the same, a revolutionary concept in particle physics. Neutrinos are major components of the matter in the universe that are so small and so weakly interacting with other matter that their masses have not yet been discovered.more » A discovery of neutrinoless double beta decay could help determine the neutrino masses. An important outcome of the work on this project was the Colorado State University role in operating the EXO-200 neutrinoless double beta decay experiment and in analysis of the data from this experiment. One type of double beta decay of the isotope 136Xe, the two-neutrino variety, was discovered in this work. Although the other type of double beta decay, the neutrinoless variety, was not yet discovered in this work, a world’s best sensitivity of 1.9x10 25 year half-life was obtained. This result rules out a previous claim of a positive result in a different isotope. This work also establishes that the masses of the neutrinos are less than one millionth of that of electrons. A unique EXO-200 analysis, in which the CSU group had a leading role, has established for the first time ever in a liquid noble gas the fraction of daughter atoms from alpha and beta decay that are ionized. This result has important impact on other pending studies, including nucleon decay and barium tagging. Novel additional discoveries include multiphoton ionization of liquid xenon with UV pulsed lasers, which may find application in calibration of future noble liquid detectors, and studies of association and dissociation reactions of Ba + ions in gaseous xenon. Through this project, we are substantially closer to demonstrating “barium tagging”, i.e., detection of single daughter 136Ba atoms from 136Xe double beta decay. Milestones achieved include obtaining spectra of small numbers of Ba atoms and cryoprobe advances toward trapping single 136Ba atoms in solid xenon and probe extraction for detection. One of the other benefits to society is the training of six Ph.D. students in a variety of state-of-the-art technologies, half under primary support of this grant and half with partial support, with four finishing their Ph.D. degrees and two well on their way.« less

Silver-plated vitamins: a method of detecting tocopherols and carotenoids in LC/ESI-MS coupling.

PubMed

Rentel, C; Strohschein, S; Albert, K; Bayer, E

1998-10-15

In LC/MS, nonpolar substances in the majority of cases cannot be ionized by standard electrospray ionization (ESI) because they obviously lack a site for protonation or deprotonation. The ionization of carotenoids and tocopherols can be greatly enhanced by the addition of silver ions. The Ag(+)-carotenoid and Ag(+)-tocopherol adducts thus formed render these substances amenable to MS. alpha-, beta-, gamma-, and delta-tocopherol, alpha-tocopherol acetate, and the various isomers of lycopene and beta-carotene were separated by C30 RP-HPLC and could be identified by online ESI-MS. A mixture of six different carotenoids was analyzed by scanning the mass range from m/z 500 to 800. The mass spectra of the peaks revealed that all carotenoids and most tocopherols were partially oxidized to radical cations. The detection limit for canthaxanthin was approximately 500 fmol while that of beta-carotene was below 300 fmol. An increase in sensitivity in the MRM mode can be attained by monitoring ions formed by loss of elemental silver from the adducts in the CID cell. Dichloromethane extracts of tomato, carrot, and vegetable juices, a vitamin drink, and a commercial infant food product were analyzed by LC/MS. After postcolumn argentation, from the mass-selective extracts of the TIC, the carotenoids and tocopherols present could be identified by their masses and their retention times. For all studies, a silver perchlorate solution with an overall concentration of 50 micrograms/mL was used.

Dielectric studies on mobility of the glycosidic linkage in seven disaccharides.

PubMed

Kaminski, K; Kaminska, E; Wlodarczyk, P; Pawlus, S; Kimla, D; Kasprzycka, A; Paluch, M; Ziolo, J; Szeja, W; Ngai, K L

2008-10-09

Isobaric dielectric relaxation measurements were performed on seven chosen disaccharides. For five of them, i.e., sucrose, maltose, trehalose, lactulose, and leucrose, we were able to observe the temperature evolution of the structural relaxation process. In the case of the other disaccharides studied (lactose and cellobiose), it was impossible to obtain such information because of the large contribution of the dc conductivity and polarization of the capacitor plates to the imaginary and real part of the complex permittivity, respectively. On the other hand, in the glassy state, two secondary relaxations have been identified in the dielectric spectra of all investigated carbohydrates. The faster one (gamma) is a common characteristic feature of the entire sugar family (mono-, di-, oligo-, and polysaccharide). The molecular origin of this process is still not unambiguously identified but is expected to involve intramolecular degrees of freedom as inferred from insensitivity of its relaxation time to pressure found in some monosaccharides (fructose and ribose). The slower one (labeled beta) was recently identified to be intermolecular in origin (i.e., a Johari-Goldstein (JG) beta-relaxation), involving twisting motion of the monosugar rings around the glycosidic bond. The activation energies and dielectric strengths for the beta-relaxation determined herein provide us valuable information about the flexibility of the glycosidic bond and the mobility of this particular linkage in the disaccharides studied. In turn, this information is essential for the control of the diffusivity of drugs or water entrapped in the sugar matrix.

Beta-lactamase-catalyzed aminolysis of depsipeptides: Proof of the nonexistence of a specific D-phenylalanine/enzyme complex by double-label isotope trapping

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

Pazhanisamy, S.; Pratt, R.F.

The steady-state kinetics of the Enterobacter cloacae P99 beta-lactamase-catalyzed aminolysis of the depsipeptide m-(((phenylacetyl)glycyl)oxy)benzoic acid by D-phenylalanine were consistent with an ordered sequential mechanism with D-phenylalanine binding first. In terms of this mechanism, the kinetics data required that in 20 mM MOPS buffer, pH 7.5, the dissociation constant of the initially formed enzyme/D-phenylalanine complex be around 1.3 mM; at pH 9.0 in 0.1 M carbonate buffer, the complex should be somewhat more stable. Attempts to detect this complex in a binary mixture by spectroscopic methods (fluorescence, circular dichroic, and nuclear magnetic resonance spectra) failed. Kinetic methods were also unsuccessful--the presencemore » of 20 mM D-phenylalanine did not appear to affect beta-lactamase activity nor inhibition of the enzyme by phenylmethanesulfonyl fluoride, phenylboronic acid, or (3-dansylamidophenyl)boronic acid. Equilibrium dialysis experiments appeared to indicate that the dissociation constant of any binary enzyme/D-phenylalanine complex must be somewhat higher than the kinetics allowed (greater than 2 mM). Since the kinetics also required that, at high depsipeptide concentrations, and again with the assumption of the ordered sequential mechanism, the reaction of the enzyme/D-phenylalanine complex to aminolysis products be faster than its reversion to enzyme and D-phenylalanine, a double-label isotope-trapping experiment was performed.« less

Generation and reactivity of ketyl radicals with lignin related structures. On the importance of the ketyl pathway in the photoyellowing of lignin containing pulps and papers.

PubMed

Fabbri, Claudia; Bietti, Massimo; Lanzalunga, Osvaldo

2005-04-01

[reaction: see text] Ketyl radicals with lignin related structures have been generated by means of radiation chemical and photochemical techniques. In the former studies ketyl radicals are produced by reaction of alpha-carbonyl-beta-aryl ether lignin models with the solvated electron produced by pulse radiolysis of an aqueous solution at pH 6.0. The UV-vis spectra of ketyl radicals are characterized by three main absorption bands. The shape and position of these bands slightly change when the spectra are recorded in alkaline solution (pH 11.0) being now assigned to the ketyl radical anions and a pKa = 9.5 is determined for the 1-(3,4,5-trimethoxyphenyl)-2-phenoxyethanol-1-yl radical. Decay rates of ketyl radicals are found to be dose dependent and, at low doses, lie in the range (1.7-2.7) x 10(3) s(-1). In the presence of oxygen a fast decay of the ketyl radicals is observed (k2 = 1.8-2.7 x 10(9) M(-1) s(-1)) that is accompanied by the formation of stable products, i.e., the starting ketones. In the photochemical studies ketyl radicals have been produced by charge-transfer (CT) photoactivation of the electron donor-acceptor salts of methyl viologen (MV2+) with alpha-hydroxy-alpha-phenoxymethyl-aryl acetates. This process leads to the instantaneous formation of the reduced acceptor (methyl viologen radical cation, MV+*), as is clearly shown in a laser flash photolysis experiment by the two absorption bands centered at 390 and 605 nm, and an acyloxyl radical [ArC(CO2*))(OH)CH2(OC6H5)], which undergoes a very fast decarboxylation with formation of the ketyl radicals. Steady-state photoirradiation of the CT ion pairs indicates that 1-aryl-2-phenoxyethanones are formed as primary photoproducts by oxidation of ketyl radicals by MV2+ (under argon) or by molecular oxygen. Small amounts of acetophenones are formed by further photolysis of 1-aryl-2-phenoxyethanones and not by beta-fragmentation of the ketyl radicals. The high reactivity of ketyl radicals with oxygen coupled with the low rates of beta-fragmentation of the same species have an important bearing in the context of the photoyellowing of lignin containing pulps and papers.

BeStSel: a web server for accurate protein secondary structure prediction and fold recognition from the circular dichroism spectra.

PubMed

Micsonai, András; Wien, Frank; Bulyáki, Éva; Kun, Judit; Moussong, Éva; Lee, Young-Ho; Goto, Yuji; Réfrégiers, Matthieu; Kardos, József

2018-06-11

Circular dichroism (CD) spectroscopy is a widely used method to study the protein secondary structure. However, for decades, the general opinion was that the correct estimation of β-sheet content is challenging because of the large spectral and structural diversity of β-sheets. Recently, we showed that the orientation and twisting of β-sheets account for the observed spectral diversity, and developed a new method to estimate accurately the secondary structure (PNAS, 112, E3095). BeStSel web server provides the Beta Structure Selection method to analyze the CD spectra recorded by conventional or synchrotron radiation CD equipment. Both normalized and measured data can be uploaded to the server either as a single spectrum or series of spectra. The originality of BeStSel is that it carries out a detailed secondary structure analysis providing information on eight secondary structure components including parallel-β structure and antiparallel β-sheets with three different groups of twist. Based on these, it predicts the protein fold down to the topology/homology level of the CATH protein fold classification. The server also provides a module to analyze the structures deposited in the PDB for BeStSel secondary structure contents in relation to Dictionary of Secondary Structure of Proteins data. The BeStSel server is freely accessible at http://bestsel.elte.hu.

UV Spectroscopy of Star-Grazing Comets Within the 49 Ceti Debris Disk

NASA Technical Reports Server (NTRS)

Miles, Brittany E.; Roberge, Aki; Welsh, Barry

2016-01-01

We present the analysis of time-variable Doppler-shifted absorption features in far-UV spectra of the unusual 49 Ceti debris disk. This nearly edge-on disk is one of the brightest known and is one of the very few containing detectable amounts of circumstellar (CS) gas as well as dust. In our two visits of Hubble Space Telescope STIS spectra, variable absorption features are seen on the wings of lines arising from CII and CIV but not for any of the other CS absorption lines. Similar variable features have long been seen in spectra of the well-studied Beta Pictoris debris disk and attributed to the transits of star-grazing comets. We calculated the velocity ranges and apparent column densities of the 49 Cet variable gas, which appears to have been moving at velocities of tens to hundreds of kms(-1) relative to the central star. The velocities in the redshifted variable event seen in the second visit show that the maximum distances of the in falling gas at the time of transit were about 0.050.2 au from the central star. A preliminary attempt at a composition analysis of the redshifted event suggests that the C/O ratio in the in falling gas is super-solar, as it is in the bulk of the stable disk gas.

Syntheses, crystal structures and optical spectroscopy of Ln{sub 2}(SO{sub 4}){sub 3}.8H{sub 2}O (Ln=Ho, Tm) and Pr{sub 2}(SO{sub 4}){sub 3}.4H{sub 2}O

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

Kazmierczak, Karolina; Hoeppe, Henning A., E-mail: henning@ak-hoeppe.d

2011-05-15

The lanthanide sulphate octahydrates Ln{sub 2}(SO{sub 4}){sub 3}.8H{sub 2}O (Ln=Ho, Tm) and the respective tetrahydrate Pr{sub 2}(SO{sub 4}){sub 3}.4H{sub 2}O were obtained by evaporation of aqueous reaction mixtures of trivalent rare earth oxides and sulphuric acid at 300 K. Ln{sub 2}(SO{sub 4}){sub 3}.8H{sub 2}O (Ln=Ho, Tm) crystallise in space group C2/c (Z=4, a{sub Ho}=13.4421(4) A, b{sub Ho}=6.6745(2) A, c{sub Ho}=18.1642(5) A, {beta}{sub Ho}=102.006(1) A{sup 3} and a{sub Tm}=13.4118(14) A, b{sub Tm}=6.6402(6) A, c{sub Tm}=18.1040(16) A, {beta}{sub Tm}=101.980(8) A{sup 3}), Pr{sub 2}(SO{sub 4}){sub 3}.4H{sub 2}O adopts space group P2{sub 1}/n (a=13.051(3) A, b=7.2047(14) A, c=13.316(3) A, {beta}=92.55(3) A{sup 3}). The vibrationalmore » and optical spectra of Ho{sub 2}(SO{sub 4}){sub 3}.8H{sub 2}O and Pr{sub 2}(SO{sub 4}){sub 3}.4H{sub 2}O are also reported. -- Graphical abstract: In the lanthanide sulphate octahydrates the cations form slightly undulated layers. Between the layers are voids in which sulphate tetrahedra and water molecules are located. The holmium compound exhibits an Alexandrite effect. Display Omitted Highlights: {yields} Determination of the optimum conditions for the growth of single-crystals of Ln{sub 2}(SO{sub 4}){sub 3}.8H{sub 2}O (Ln=Ho, Tm) and Pr{sub 2}(SO{sub 4}){sub 3}.4H{sub 2}O. {yields} Single-crystal structure elucidation of Ln{sub 2}(SO{sub 4}){sub 3}.8H{sub 2}O (Ln=Ho, Tm) including hydrogen bonds. {yields} Single-crystal structure determination of Pr{sub 2}(SO{sub 4}){sub 3}.4H{sub 2}O including hydrogen bonds. {yields} UV-vis spectra of Ho{sub 2}(SO{sub 4}){sub 3}.8H{sub 2}O and Pr{sub 2}(SO{sub 4}){sub 3}.4H{sub 2}O recorded and interpreted: Assignation of bands and clarification of the Alexandrite effect of the Ho compound. {yields} IR and Raman spectra of Ln{sub 2}(SO{sub 4}){sub 3}.8H{sub 2}O (Ln=Ho, Tm) and Pr{sub 2}(SO{sub 4}){sub 3}.4H{sub 2}O recorded and interpreted.« less

Secondary structure of spiralin in solution, at the air/water interface, and in interaction with lipid monolayers.

PubMed

Castano, Sabine; Blaudez, Daniel; Desbat, Bernard; Dufourcq, Jean; Wróblewski, Henri

2002-05-03

The surface of spiroplasmas, helically shaped pathogenic bacteria related to the mycoplasmas, is crowded with the membrane-anchored lipoprotein spiralin whose structure and function are unknown. In this work, the secondary structure of spiralin under the form of detergent-free micelles (average Stokes radius, 87.5 A) in water and at the air/water interface, alone or in interaction with lipid monolayers was analyzed. FT-IR and circular dichroism (CD) spectroscopic data indicate that spiralin in solution contains about 25+/-3% of helices and 38+/-2% of beta sheets. These measurements are consistent with a consensus predictive analysis of the protein sequence suggesting about 28% of helices, 32% of beta sheets and 40% of irregular structure. Brewster angle microscopy (BAM) revealed that, in water, the micelles slowly disaggregate to form a stable and homogeneous layer at the air/water interface, exhibiting a surface pressure up to 10 mN/m. Polarization modulation infrared reflection absorption spectroscopy (PMIRRAS) spectra of interfacial spiralin display a complex amide I band characteristic of a mixture of beta sheets and alpha helices, and an intense amide II band. Spectral simulations indicate a flat orientation for the beta sheets and a vertical orientation for the alpha helices with respect to the interface. The combination of tensiometric and PMIRRAS measurements show that, when spiroplasma lipids are used to form a monolayer at the air/water interface, spiralin is adsorbed under this monolayer and its antiparallel beta sheets are mainly parallel to the polar-head layer of the lipids without deep perturbation of the fatty acid chains organization. Based upon these results, we propose a 'carpet model' for spiralin organization at the spiroplasma cell surface. In this model, spiralin molecules anchored into the outer leaflet of the lipid bilayer by their N-terminal lipid moiety are composed of two colinear domains (instead of a single globular domain) situated at the lipid/water interface. Owing to the very high amount of spiralin in the membrane, such carpets would cover most if not all the lipids present in the outer leaflet of the bilayer.

Diffusive transfer to membranes as an effective interface between gel electrophoresis and mass spectrometry

NASA Astrophysics Data System (ADS)

Ogorzalek Loo, Rachel R.; Mitchell, Charles; Stevenson, Tracy I.; Loo, Joseph A.; Andrews, Philip C.

1997-12-01

Diffusive transfer was examined as a blotting method to transfer proteins from polyacrylamide gels to membranes for ultraviolet matrix-assisted laser desorption ionization (MALDI) mass spectrometry. The method is well-suited for transfers from isoelectric focusing (IEF) gels. Spectra have been obtained for 11 pmol of 66 kDa albumin loaded onto an IEF gel and subsequently blotted to polyethylene. Similarly, masses of intact carbonic anhydrase and hemoglobin were obtained from 14 and 20 pmol loadings. This methodology is also compatible with blotting high molecular weight proteins, as seen for 6 pmol of the 150 kDa monoclonal antibody anti-[beta]-galactosidase transferred to Goretex. Polypropylene, Teflon, Nafion and polyvinylidene difluoride (PVDF) also produced good spectra following diffusive transfer. Only analysis from PVDF required that the membrane be kept wet prior to application of matrix. Considerations in mass accuracy for analysis from large-area membranes with continuous extraction and delayed extraction were explored, as were remedies for surface charging. Vapor phase CNBr cleavage was applied to membrane-bound samples for peptide mapping.

Infrared spectroscopy as a screening technique for colitis

NASA Astrophysics Data System (ADS)

Titus, Jitto; Ghimire, Hemendra; Viennois, Emilie; Merlin, Didier; Perera, A. G. Unil

2017-05-01

There remains a great need for diagnosis of inflammatory bowel disease (IBD), for which the current technique, colonoscopy, is not cost-effective and presents a non-negligible risk for complications. Attenuated Total Reflectance Fourier Transform Infrared (ATR-FTIR) spectroscopy is a new screening technique to evaluate colitis. Comparing infrared spectra of sera to study the differences between them can prove challenging due to the complexity of its biological constituents giving rise to a plethora of vibrational modes. Overcoming these inherent infrared spectral analysis difficulties involving highly overlapping absorbance peaks and the analysis of the data by curve fitting to improve the resolution is discussed. The proposed technique uses colitic and normal wild type mice dried serum to obtain ATR/FTIR spectra to effectively differentiate colitic mice from normal mice. Using this method, Amide I group frequency (specifically, alpha helix to beta sheet ratio of the protein secondary structure) was identified as disease associated spectral signature in addition to the previously reported glucose and mannose signatures in sera of chronic and acute mice models of colitis. Hence, this technique will be able to identify changes in the sera due to various diseases.

Modeling the temperature-dependent peptide vibrational spectra based on implicit-solvent model and enhance sampling technique

NASA Astrophysics Data System (ADS)

Tianmin, Wu; Tianjun, Wang; Xian, Chen; Bin, Fang; Ruiting, Zhang; Wei, Zhuang

2016-01-01

We herein review our studies on simulating the thermal unfolding Fourier transform infrared and two-dimensional infrared spectra of peptides. The peptide-water configuration ensembles, required forspectrum modeling, aregenerated at a series of temperatures using the GBOBC implicit solvent model and the integrated tempering sampling technique. The fluctuating vibrational Hamiltonians of the amide I vibrational band are constructed using the Frenkel exciton model. The signals are calculated using nonlinear exciton propagation. The simulated spectral features such as the intensity and ellipticity are consistent with the experimental observations. Comparing the signals for two beta-hairpin polypeptides with similar structures suggests that this technique is sensitive to peptide folding landscapes. Project supported by the National Natural Science Foundation of China (Grant No. 21203178), the National Natural Science Foundation of China (Grant No. 21373201), the National Natural Science Foundation of China (Grant No. 21433014), the Science and Technological Ministry of China (Grant No. 2011YQ09000505), and “Strategic Priority Research Program” of the Chinese Academy of Sciences (Grant Nos. XDB10040304 and XDB100202002).

Raman spectroscopy-based screening of hepatitis C and associated molecular changes

NASA Astrophysics Data System (ADS)

Bilal, Maria; Bilal, M.; Saleem, M.; Khan, Saranjam; Ullah, Rahat; Fatima, Kiran; Ahmed, M.; Hayat, Abbas; Shahzada, Shaista; Ullah Khan, Ehsan

2017-09-01

This study presents the optical screening of hepatitis C and its associated molecular changes in human blood sera using a partial least-squares regression model based on their Raman spectra. In total, 152 samples were tested through enzyme-linked immunosorbent assay for confirmation. This model utilizes minor spectral variations in the Raman spectra of the positive and control groups. Regression coefficients of this model were analyzed with reference to the variations in concentration of associated molecules in these two groups. It was found that trehalose, chitin, ammonia, and cytokines are positively correlated while lipids, beta structures of proteins, and carbohydrate-binding proteins are negatively correlated with hepatitis C. The regression vector yielded by this model is utilized to predict hepatitis C in unknown samples. This model has been evaluated by a cross-validation method, which yielded a correlation coefficient of 0.91. Moreover, 30 unknown samples were screened for hepatitis C infection using this model to test its performance. Sensitivity, specificity, accuracy, and area under the receiver operating characteristic curve from these predictions were found to be 93.3%, 100%, 96.7%, and 1, respectively.

Review of the absorption spectra of solid O2 and N2 as they relate to contamination of a cooled infrared telescope

NASA Technical Reports Server (NTRS)

Smith, S. M.

1977-01-01

During contamination studies for the liquid helium cooled shuttle infrared telescope facility, a literature search was conducted to determine the absorption spectra of the solid state of homonuclear molecules of O2 and N2, and ascertain what laboratory measurements of the solid have been made in the infrared. With the inclusion of one unpublished spectrum, the absorption spectrum of the solid oxygen molecule has been thoroughly studied from visible to millimeter wavelengths. Only two lines appear in the solid that do not also appear in the gas or liquid. A similar result is implied for the solid nitrogen molecule because it also is homonuclear. The observed infrared absorption lines result from lattice modes of the alpha phase of the solid, and disappear at the warmer temperatures of the beta, gamma, and liquid phases. They are not observed from polycrystalline forms of O2, while strong scattering is. Scattering, rather than absorption, is considered to be the principal natural contamination problem for cooled infrared telescopes in low earth orbit.

Purification and properties of the hydroxylase component of methane monooxygenase

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

Patel, R.N.; Savas, J.C.

Methane monooxygenase from Methylobacterium sp. strain CRL-26 which catalyzes the oxygenation of hydrocarbons was resolved into two components, a hydroxylase and a flavoprotein. An anaerobic procedure was developed for the purification of the hydroxylase to homogeneity. The molecular weight of the hydroxylase as determined by gel filtration was 220,000, and that determined by sedimentation equilibrium analysis was about 225,000. The purified hydroxylase contained three nonidentical subunits with molecular weights of about 55,000, 40,000, and 20,000, in equal amounts as judged by sodium dodecyl sulfate-polyacrylamide gel electrophoresis, indicating that it is an ..cap alpha../sub 2/..beta gamma.. protein. Optical absorption spectra revealedmore » peaks near 408 and 280 nm, and fluorescence spectra revealed emission peaks at 490 and 630 nm. The purified hydroxylase contained 2.8 +/- 0.2 mol of iron and 0.5 +/- 0.1 mol of zinc per mol of protein but negligible amounts of acid-labile sulfide. The antisera prepared against the hydroxylase showed cross-reactivity with hydroxylase components in soluble extracts from other methanotrophs.« less

Er{sup 3+}-doped strontium lithium bismuth borate glasses for broadband 1.5 {mu}m emission - optical properties

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

Rajesh, D.; Balakrishna, A.; Ratnakaram, Y. C.

2013-02-05

Strontium lithium bismuth borate glasses (SLBiB) doped with various concentrations of Er{sup 3+} were prepared using conventional melt quench technique and investigated their optical properties. The amorphous nature of the prepared glass samples was confirmed by X-ray diffraction and SEM analysis. Optical properties were studied by measuring the optical absorption and near infrared luminescence spectra at room temperature. Judd-Ofelt (J-O) theory has been applied for the f.f transitions of Er{sup 3+} ions to evaluate J-O intensity parameters, {Omega}{lambda} ({lambda} = 2, 4 and 6). Using the J-O intensity parameters, radiative properties such as transition probabilities (A{sub R}), branching ratios ({beta})more » and radiative lifetimes ({tau}) are estimated for certain transitions. From the emission spectra, peak emission-cross sections ({sigma}{sub p}) and products of stimulated emission cross-section and full width at half maximum ({sigma}{sub p} Multiplication-Sign FWHM) were calculated for the observed emission transition, {sup 4}I{sub 13/2}{yields}{sup 4}I{sub 15/2}.« less

Synthesis and characterization of new 19-vertex macropolyhedral boron hydrides.

PubMed

Dopke, J A; Powell, D R; Gaines, D F

2000-02-07

The new boron hydride anions 10-R-B19H19- (R = H, Thx) were synthesized by the reaction of M2[B18H20] (M = Na, K) with HBRCl.SMe2 (R = H, Thx) or HBCl2.SMe2 in diethyl ether. The anions are comprised of edge-sharing, nido 10- and 11-vertex cluster fragments, and are characterized by their 11B, 11B[1H], and 11B-11B COSY NMR spectra. The salt [(Ph3P)2N][B19H20].0.5THF crystallized in the triclinic space group P1 (a = 12.6344-(2) A, b = 13.5978(2) A, c = 14.1401(2) A; alpha = 77.402(2) degrees, beta = 81.351(2) degrees, gamma = 73.253(2) degrees). Possible synthetic pathways are discussed. The dianion B19H19(2-) is formed by deprotonation of B19H20- with Proton Sponge (1,8-bis(dimethylamino)naphthalene) in THF, and is identified on the basis of its 11B, 11B[1H], and 11B-11B COSY NMR spectra.

Formation of insulin amyloid fibrils followed by FTIR simultaneously with CD and electron microscopy.

PubMed Central

Bouchard, M.; Zurdo, J.; Nettleton, E. J.; Dobson, C. M.; Robinson, C. V.

2000-01-01

Fourier transform infrared spectroscopy (FTIR), circular dichroism (CD), and electron microscopy (EM) have been used simultaneously to follow the temperature-induced formation of amyloid fibrils by bovine insulin at acidic pH. The FTIR and CD data confirm that, before heating, insulin molecules in solution at pH 2.3 have a predominantly native-like alpha-helical structure. On heating to 70 degrees C, partial unfolding occurs and results initially in aggregates that are shown by CD and FT-IR spectra to retain a predominantly helical structure. Following this step, changes in the CD and FTIR spectra occur that are indicative of the extensive conversion of the molecular conformation from alpha-helical to beta-sheet structure. At later stages, EM shows the development of fibrils with well-defined repetitive morphologies including structures with a periodic helical twist of approximately 450 A. The results indicate that formation of fibrils by insulin requires substantial unfolding of the native protein, and that the most highly ordered structures result from a slow evolution of the morphology of the initially formed fibrillar species. PMID:11106169

Young Debris Disks With Newly Discovered Emission Features

NASA Astrophysics Data System (ADS)

Ballering, N.

2014-04-01

We analyzed the Spitzer/IRS spectra of young A and F stars that host debris disks with previously unidentified silicate emission features. Such features probe small, warm dust grains in the inner regions of these young systems where terrestrial planet formation may be proceeding (Lisse et al. 2009). For most systems, these regions are too near their host star to be directly seen with high-contrast imaging and too warm to be imaged with submillimeter interferometers. Mid-infrared excess spectra - originating from the thermal emission of the debris disk dust - remain the best data to constrain the properties of the debris in these regions. For each target, we fit physically-motivated model spectra to the data. Typical spectra of unresolved debris disks are featureless and suffer severe degeneracies between the dust location and the grain properties; however, spectra with solid-state emission features provide significantly more information, allowing for a more accurate determination of the dust size, composition, and location (e.g. Chen et al. 2006; Olofsson et al. 2012). Our results shed light on the dynamic properties occurring in the terrestrial regions of these systems. For instance, the sizes of the smallest grains and the nature of the grain size distribution reveal whether the dust originates from steady-state collisional cascades or from stochastic collisions. The properties of the dust grains - such as their crystalline or amorphous structure - can inform us of grain processing mechanisms in the disk. The location of this debris illuminates where terrestrial planet forming activity is occurring. We used results from the Beta Pictoris - which has a well-resolved debris disk with emission features (Li et al. 2012) - to place our results in context. References: Chen et al. 2006, ApJS, 166, 351 Li et al. 2012, ApJ, 759, 81 Lisse et al. 2009, ApJ, 701, 2019 Olofsson et al. 2012, A&A, 542, A90

The structure of an integral membrane peptide: a deuterium NMR study of gramicidin.

PubMed Central

Prosser, R S; Daleman, S I; Davis, J H

1994-01-01

Solid state deuterium NMR was employed on oriented multilamellar dispersions consisting of 1,2-dilauryl-sn-glycero-3-phosphatidylcholine and deuterium (2H) exchange-labeled gramicidin D, at a lipid to protein molar ratio (L/P) of 15:1, in order to study the dynamic structure of the channel conformation of gramicidin in a liquid crystalline phase. The corresponding spectra were used to discriminate between several structural models for the channel structure of gramicidin (based on the left- and right-handed beta 6.3 LD helix) and other models based on a structure obtained from high resolution NMR. The oriented spectrum is complicated by the fact that many of the doublets, corresponding to the 20 exchangeable sites, partially overlap. Furthermore, the asymmetry parameter, eta, of the electric field gradient tensor of the amide deuterons is large (approximately 0.2) and many of the amide groups are involved in hydrogen bonding, which is known to affect the quadrupole coupling constant. In order to account for these complications in simulating the spectra in the fast motional regime, an ab initio program called Gaussian 90 was employed, which permitted us to calculate, by quantum mechanical means, the complete electric field gradient tensor for each residue in gramicidin (using two structural models). Our results indicated that the left-handed helical models were inconsistent with our observed spectra, whereas a model based on the high-resolution structure derived by Arseniev and coworkers, but relaxed by a simple energy minimization procedure, was consistent with our observed spectra. The molecular order parameter was then estimated from the motional narrowing assuming the relaxed (right-handed) Arseniev structure. Our resultant order parameter of SZZ = 0.91 translates into an rms angle of 14 degrees, formed by the helix axis and the local bilayer normal. The strong resemblance between our spectra (and also those reported for gramicidin in 1,2-dipalmitoyl-sn-glycero-3-phosphatidylcholine (DPPC) multilayers) and the spectra of the same peptide incorporated in a lyotropic nematic phase, suggests that the lyotropic nematic phase simulates the local environment of the lipid bilayer. PMID:7520293

Effects of central metal ions on vibrational circular dichroism spectra of tris-(beta-diketonato)metal(III) complexes.

PubMed

Sato, Hisako; Taniguchi, Tohru; Nakahashi, Atsufumi; Monde, Kenji; Yamagishi, Akihiko

2007-08-06

Vibrational circular dichroism (VCD) spectra of a series of [M(III)(acac)3] (acac = acetylacetonato; M = Cr, Co, Ru, Rh, Ir, and Al) and [M(III)(acac)2(dbm)] (dbm = dibenzoylmethanato; M = Cr, Co, and Ru) have been investigated experimentally and/or theoretically in order to see the effect of the central metal ion on the vibrational dynamics of ligands. The optical antipodes give the mirror-imaged spectra in the region of 1700-1000 cm(-1). The remarkable effect of the central metal ion is observed experimentally on the VCD peaks due to C-O stretches (1500-1300 cm(-1)) for both [M(III)(acac)3] and [M(III)(acac)2(dbm)]. In the case of Delta-[M(III)(acac)3], for example, the order of frequency of two C-O stretches (E and A2 symmetries) is dependent on the kind of a central metal ion as follows: E (-) > A2 (+) for M = Co, Rh, and Ir, while A2 (+) > E (-) for M = Cr and Ru. In the case of Delta-[M(III)(acac)2(dbm)], the order of frequency of three C-O stretches (A, B, and B symmetries) is as follows: A (-) > B (+) > B (+) for Co(III), B (+) > A (-) > B (-) for Cr(III), and A (-) > B (+) > B (-) for Ru(III). These results imply that the energy levels of C-O stretches are delicately affected by the kind of central metal ion. Since such detailed information is not obtained from the IR spectra alone, the VCD spectrum can probe the effect of the central metal ion on interligand cooperative vibration modes.

Fourier transform-infrared spectroscopic methods for microbial ecology: analysis of bacteria, bacteria-polymer mixtures and biofilms

NASA Technical Reports Server (NTRS)

Nichols, P. D.; Henson, J. M.; Guckert, J. B.; Nivens, D. E.; White, D. C.

1985-01-01

Fourier transform-infrared (FT-IR) spectroscopy has been used to rapidly and nondestructively analyze bacteria, bacteria-polymer mixtures, digester samples and microbial biofilms. Diffuse reflectance FT-IR (DRIFT) analysis of freeze-dried, powdered samples offered a means of obtaining structural information. The bacteria examined were divided into two groups. The first group was characterized by a dominant amide I band and the second group of organisms displayed an additional strong carbonyl stretch at approximately 1740 cm-1. The differences illustrated by the subtraction spectra obtained for microbes of the two groups suggest that FT-IR spectroscopy can be utilized to recognize differences in microbial community structure. Calculation of specific band ratios has enabled the composition of bacteria and extracellular or intracellular storage product polymer mixtures to be determined for bacteria-gum arabic (amide I/carbohydrate C-O approximately 1150 cm-1) and bacteria-poly-beta-hydroxybutyrate (amide I/carbonyl approximately 1740 cm-1). The key band ratios correlate with the compositions of the material and provide useful information for the application of FT-IR spectroscopy to environmental biofilm samples and for distinguishing bacteria grown under differing nutrient conditions. DRIFT spectra have been obtained for biofilms produced by Vibrio natriegens on stainless steel disks. Between 48 and 144 h, an increase in bands at approximately 1440 and 1090 cm-1 was seen in FT-IR spectra of the V. natriegens biofilm. DRIFT spectra of mixed culture effluents of anaerobic digesters show differences induced by shifts in input feedstocks. The use of flow-through attenuated total reflectance has permitted in situ real-time changes in biofilm formation to be monitored and provides a powerful tool for understanding the interactions within adherent microbial consortia.

Spectroscopic Characterization of GEO Satellites with Gunma LOW Resolution Spectrograph

NASA Astrophysics Data System (ADS)

Endo, T.; Ono, H.; Hosokawa, M.; Ando, T.; Takanezawa, T.; Hashimoto, O.

The spectroscopic observation is potentially a powerful tool for understanding the Geostationary Earth Orbit (GEO) objects. We present here the results of an investigation of energy spectra of GEO satellites obtained from a groundbased optical telescope. The spectroscopic observations were made from April to June 2016 with the Gunma LOW resolution Spectrograph and imager (GLOWS) at the Gunma Astronomical Observatory (GAO) in JAPAN. The observation targets consist of eleven different satellites: two weather satellites, four communications satellites, and five broadcasting satellites. All the spectra of those GEO satellites are inferred to be solar-like. A number of well-known absorption features such as H-alpha, H-beta, Na-D,water vapor and oxygen molecules are clearly seen in thewavelength range of 4,000 - 8,000 Å. For comparison, we calculated the intensity ratio of the spectra of GEO satellites to that of the Moon which is the natural satellite of the earth. As a result, the following characteristics were obtained. 1) Some variations are seen in the strength of absorption features of water vapor and oxygen originated by the telluric atmosphere, but any other characteristic absorption features were not found. 2) For all observed satellites, the intensity ratio of the spectrum of GEO satellites decrease as a function of wavelength or to be flat. It means that the spectral reflectance of satellite materials is bluer than that of the Moon. 3) A characteristic dip at around 4,800 Å is found in all observed spectra of a weather satellite. Based on these observations, it is indicated that the characteristics of the spectrum are mainly derived from the solar panels because the apparent area of the solar cell is probably larger than that of the satellite body.

VizieR Online Data Catalog: Abundance of nine beta Cephei stars (Morel+, 2006)

NASA Astrophysics Data System (ADS)

Morel, T.; Butler, K.; Aerts, C.; Neiner, C.; Briquet, M.

2006-07-01

The equivalent widths (EWs) were measured on high-resolution spectra obtained with various echelle spectrographs (see Table 2 of paper for further details). Our EWs are systematically larger than the values quoted by Gies & Lambert (1992ApJ...387..673G) for the seven stars in common, but a similar trend is evident when comparing their values with previous measurements in the literature (see their Fig.4). This is likely to result from their use of Gaussian fitting instead of the direct integration used in our case. The same conclusion holds for the EWs of xi1 CMa presented by Hambly et al. (1996MNRAS.278..811H). (1 data file).

Analysis and identification of astaxanthin and its carotenoid precursors from Xanthophyllomyces dendrorhous by high-performance liquid chromatography.

PubMed

Lu, Mingbo; Zhang, Yang'e; Zhao, Chunfang; Zhou, Pengpeng; Yu, Longjiang

2010-01-01

This study presents an HPLC method for simultaneous analysis of astaxanthin and its carotenoid precursors from Xanthophyllomyces dendrorhous. The HPLC method is accomplished by employing a C18 column and the mobile phase methanol/water/acetonitrile/ dichloromethane (70:4:13:13, v/v/v/v). Astaxanthin is quantified by detection at 480 nm. The carotenoid precursors are identified by LC-APCI-MS and UV-vis absorption spectra. Peaks showed in the HPLC chromatogram are identified as carotenoids in the monocyclic biosynthetic pathway or their derivatives. In the monocyclic carotenoid pathway, 3,3'-dihydroxy-beta,psi-carotene-4,4'-dione (DCD) is produced through gamma-carotene and torulene.

Simulation of Auger electron emission from nanometer-size gold targets using the Geant4 Monte Carlo simulation toolkit

NASA Astrophysics Data System (ADS)

Incerti, S.; Suerfu, B.; Xu, J.; Ivantchenko, V.; Mantero, A.; Brown, J. M. C.; Bernal, M. A.; Francis, Z.; Karamitros, M.; Tran, H. N.

2016-04-01

A revised atomic deexcitation framework for the Geant4 general purpose Monte Carlo toolkit capable of simulating full Auger deexcitation cascades was implemented in June 2015 release (version 10.2 Beta). An overview of this refined framework and testing of its capabilities is presented for the irradiation of gold nanoparticles (NP) with keV photon and MeV proton beams. The resultant energy spectra of secondary particles created within and that escape the NP are analyzed and discussed. It is anticipated that this new functionality will improve and increase the use of Geant4 in the medical physics, radiobiology, nanomedicine research and other low energy physics fields.

Investigating temperature effects on extra virgin olive oil using fluorescence spectroscopy

NASA Astrophysics Data System (ADS)

Saleem, M.; Ahmad, Naveed; Ali, H.; Bilal, M.; Khan, Saranjam; Ullah, Rahat; Ahmed, M.; Mahmood, S.

2017-12-01

The potential of fluorescence spectroscopy has been utilized to study the heating effects on extra virgin olive oil (EVOO). Through a series of experiments, a temperature range from 140 °C  -  150 °C has been found where cooking with EVOO is possible without destroying its natural ingredients. Fluorescence emission spectra from all heated and non-heated EVOO samples were recorded using an excitation source at 350 nm, where emission bands in non-heated EVOO at 380, 440, 455, and 525 nm are labelled for vitamin E and a band at 673 nm is assigned for chlorophyll a. The emission band at 525 nm is also responsible for beta carotenoids (vitamin A). As a result of heating, prominent intensity variations have been observed in all spectral bands, but it is particularly affected at 525 nm, indicating the deterioration of vitamin E and beta carotenoids. However, if the temperature of oil can be maintained in the above defined range, then frying food with EVOO is possible by preserving its natural ingredients. The spectral variations resulting from the heating effects have been further highlighted by using principal component analysis for classification purposes.

Detailed opacity calculations for stellar models

NASA Astrophysics Data System (ADS)

Pain, Jean-Christophe; Gilleron, Franck

2016-10-01

We present a state of the art of precise spectral opacity calculations illustrated by stellar applications. The essential role of laboratory experiments to check the quality of the computed data is underlined. We review some X-ray and XUV laser and Z-pinch photo-absorption measurements as well as X-ray emission spectroscopy experiments of hot dense plasmas produced by ultra-high-intensity laser interaction. The measured spectra are systematically compared with the fine-structure opacity code SCO-RCG. Focus is put on iron, due to its crucial role in the understanding of asteroseismic observations of Beta Cephei-type and Slowly Pulsating B stars, as well as in the Sun. For instance, in Beta Cephei-type stars (which should not be confused with Cepheid variables), the iron-group opacity peak excites acoustic modes through the kappa-mechanism. A particular attention is paid to the higher-than-predicted iron opacity measured on Sandia's Z facility at solar interior conditions (boundary of the convective zone). We discuss some theoretical aspects such as orbital relaxation, electron collisional broadening, ionic Stark effect, oscillator-strength sum rules, photo-ionization, or the ``filling-the-gap'' effect of highly excited states.

Simulation of angular and energy distributions of the PTB beta secondary standard.

PubMed

Faw, R E; Simons, G G; Gianakon, T A; Bayouth, J E

1990-09-01

Calculations and measurements have been performed to assess radiation doses delivered by the PTB Secondary Standard that employs 147Pm, 204Tl, and 90Sr:90Y sources in prescribed geometries, and features "beam-flattening" filters to assure uniformity of delivered doses within a 5-cm radius of the axis from source to detector plane. Three-dimensional, coupled, electron-photon Monte Carlo calculations, accounting for transmission through the source encapsulation and backscattering from the source mounting, led to energy spectra and angular distributions of electrons penetrating the source encapsulation that were used in the representation of pseudo sources of electrons for subsequent transport through the atmosphere, filters, and detectors. Calculations were supplemented by measurements made using bare LiF TLD chips on a thick polymethyl methacrylate phantom. Measurements using the 204Tl and 90Sr:90Y sources revealed that, even in the absence of the beam-flattening filters, delivered dose rates were very uniform radially. Dosimeter response functions (TLD:skin dose ratios) were calculated and confirmed experimentally for all three beta-particle sources and for bare LiF TLDs ranging in mass thickness from 10 to 235 mg cm-2.

The microscopic protein structure of the lens with a theory for cataract formation as determined by Raman spectroscopy of intact bovine lenses.

PubMed

Schachar, R A; Solin, S A

1975-05-01

Intact bovine lenses have been studied using the polarized Raman spectroscopic technique. A brief theoretical and experimental review of Raman spectroscopy is presented. From the dependence of the Raman depolarization ratio on the propagation direction of the incident radiation we have determined that the uniaxial qualities of the lens result from microscopic anisotropy and have established the quantitative positional correlation of specific chemical bonds with respect to the lens optic axis. In particular, the hydrogen bonded linear CONH groups of the antiparallel beta-pleated sheet are preferentially oriented in directions orthogonal to the lens optic axis. The Raman spectra of intact lenses do not exhibit bands at positions characteristic of either the alpha-helix or the random coil protein structure. The antiparallel beta-pleated sheet protein microstructure and the lens fiber cross-sectional macrostructure exhibit a remarkable similarity. This similarity may be causal and is consistent with the protein concentration of the lens, the birefringent properties observed by both Lenhard and Brewster, the CONH bond angle distribution with respect to the optic axis, and the lens anatomy. It is suggested that cortical cataracts are caused by fluctuations in protein orientational order.

Particle acceleration during magnetic reconnection in a low-beta pair plasma

DOE PAGES

Guo, Fan; Li, Hui; Daughton, William; ...

2016-04-29

Plasma energization through magnetic reconnection in the magnetically dominated regime featured by low plasma beta (β=8πnkT0/B 2 <<1) and/or high magnetization (σ=B 2/(4πnmc 2)>>1) is important in a series of astrophysical systems such as solar flares, pulsar wind nebula, and relativistic jets from black holes. In this paper, we review the recent progress on kinetic simulations of this process and further discuss plasma dynamics and particle acceleration in a low-β reconnection layer that consists of electron–positron pairs. We also examine the effect of different initial thermal temperatures on the resulting particle energy spectra. While earlier papers have concluded that themore » spectral index is smaller for higher σ, our simulations show that the spectral index approaches p = 1 for sufficiently low plasma β, even if σ~1. Since this predicted spectral index in the idealized limit is harder than most observations, it is important to consider effects that can lead to a softer spectrum such as open boundary simulations. Here, we also remark that the effects of three-dimensional reconnection physics and turbulence on reconnection need to be addressed in the future.« less

Spectroscopic monitoring of active Galactic nuclei from CTIO. 1: NGC 3227

NASA Technical Reports Server (NTRS)

Winge, Claudia; Peterson, Bradley M.; Horne, Keith; Pogge, Richard W.; Pastoriza, Miriani G.; Storchi-Bergmann, Thaisa

1995-01-01

The results of a five-month monitoring campaign on the Seyfert 1.5 galaxy NGC 3227 are presented. Variability was detected in the continuum and in the broad emission lines. Cross correlations of the 4200 A continuum light curve with the H beta and He II wavelength 4686 emission-line light curves indicate delays of 18 +/- 5 and 16 +/- 2 days, respectively, between the continuum variations and the response of the lines. We apply a maximum entropy method to solve for the transfer function that relates the H beta and He II wavelength 4686 lines and 4200 A continuum variability and the result of this analysis suggests that there is a deficit of emission-line response due to gas along the line of sight to the continuum source for both lines. Using a composite off-nuclear spectrum, we synthesize the bulge stellar population, which is found to be mainly old (77% with age greater than 10 Gyr) with a metallicity twice the solar value. The synthesis also yields an internal color excess E(B - V) approximately equal 0.04. The mean contribution of the stellar population to the inner 5 sec x 10 sec spectra during the campaign was approximately equal 40%.

The nonlinear light output of NaI(Tl) detectors in the Modular Total Absorption Spectrometer

DOE PAGES

Rasco, B. C.; Fijałkowska, A.; Karny, M.; ...

2015-04-08

New detector array, the Modular Total Absorption Spectrometer (MTAS),was commissioned at the Holifield Radioactive Ion Beam Facility (HRIBF) at Oak Ridge National Lab(ORNL).Total absorption gamma spectra measured with MTAS are expected to improve beta-feeding patterns and beta strength functions in fission products.MTAS is constructed out of hexagonal NaI(Tl) detectors with a unique central module surrounded by 18 identical crystals assembled in three rings. The total NaI(Tl) mass of MTAS is over1000 kg.The response of the central and other 18 MTAS modules to -radiation was simulated using the GEANT4 tool kit modified to analyze the nonlinear light output of NaI(Tl).A detailedmore » description oftheGEANT4modifications madeisdiscussed.SimulatedenergyresolutionofMTAS modules is found to agree well with the measurements for single transitions of 662keV (137Cs) with 8.2% full width half maximum (FWHM),835keV (54Mn) with FWHM of 7.5% FWHM, and 1115keV (65Zn) with FWHM of 6.5%.Simulations of single and multiple -rays from 60Co are also discussed.« less

Background studies of high energy γ rays from (n,γ) reactions in the CANDLES experiment

NASA Astrophysics Data System (ADS)

Nakajima, K.; Iida, T.; Akutagawa, K.; Batpurev, T.; Chan, W. M.; Dokaku, F.; Fushimi, K.; Kakubata, H.; Kanagawa, K.; Katagiri, S.; Kawasaki, K.; Khai, B. T.; Kino, H.; Kinoshita, E.; Kishimoto, T.; Hazama, R.; Hiraoka, H.; Hiyama, T.; Ishikawa, M.; Li, X.; Maeda, T.; Matsuoka, K.; Moser, M.; Nomachi, M.; Ogawa, I.; Ohata, T.; Sato, H.; Shamoto, K.; Shimada, M.; Shokati, M.; Takahashi, N.; Takemoto, Y.; Takihira, Y.; Tamagawa, Y.; Tozawa, M.; Teranishi, K.; Tetsuno, K.; Trang, V. T. T.; Tsuzuki, M.; Umehara, S.; Wang, W.; Yoshida, S.; Yotsunaga, N.

2018-07-01

High energy γ rays with several MeV produced by (n,γ) reactions can be a trouble for low background measurements in the underground laboratories such as double beta decay experiments. In the CANDLES project, which aimed to observe the neutrino-less double beta decay from 48Ca, γ rays caused by (n,γ) reactions were found to be the most significant background. The profile of the background was studied by measurements with a neutron source and a simulation with a validity check of neutron processes in Geant4. The observed spectrum of γ rays from (n,γ) reactions was well reproduced by the simulated spectra, which were originated from the surrounding rock and a detector tank made of stainless steel. The environmental neutron flux was derived by the observed event rate of γ rays from (n,γ) reactions using the simulation. The thermal and non-thermal neutron flux were found to be (1.3 ± 0.6) ×10-6 cm-2s-1 and (1.1 ± 0.5) ×10-5 cm-2s-1 , respectively. It is necessary to install an additional shield to reduce the background from (n,γ) reaction to the required level.

Some Thermodynamic Considerations on the Physical and Quantum Nature of Space and Time

NASA Technical Reports Server (NTRS)

Sohrab, Siavash H.; Piltch, Nancy (Technical Monitor)

2000-01-01

It is suggested that the Planck h = m(sub k)c Lambda(sub k) and the Boltzmann k = m(sub k)c nu(sub k)Constants have stochastic foundation. It is further suggested that a body of fluid at equilibrium is composed of a spectrum of molecular clusters (energy levels) the size of which are governed by the Maxwell-Boltzmann distribution function. Brownian motions are attributed to equilibrium between suspensions and molecular clusters. Atomic (molecular) transition between different size atomic- (molecular-) clusters (energy levels) is shown to result in emission/absorption of energy in accordance with Bohr's theory of atomic spectra. Physical space is identified as a tachyonic fluid that is Dirac's stochastic ether or de Broglie's hidden thermostat. Compressibility of physical space, in accordance with Planck's compressible ether, is shown to result in the Lorentz-Fitzgerald contraction, thus providing a causal explanation of relativistic effect in accordance with the perceptions of Poincare and Lorentz. The invariant Schrodinger equation is derived from the invariant Bernoulli equation for incompressible potential flow. Following Heisenberg a temporal uncertainty relation is introduced as Delta(nu(sub Beta)) Delta(Rho(sub Beta)) > = k.

Metabolic changes in different developmental stages of Vanilla planifolia pods.

PubMed

Palama, Tony Lionel; Khatib, Alfi; Choi, Young Hae; Payet, Bertrand; Fock, Isabelle; Verpoorte, Robert; Kodja, Hippolyte

2009-09-09

The metabolomic analysis of developing Vanilla planifolia green pods (between 3 and 8 months after pollination) was carried out by nuclear magnetic resonance (NMR) spectroscopy and multivariate data analysis. Multivariate data analysis of the (1)H NMR spectra, such as principal component analysis (PCA) and partial least-squares-discriminant analysis (PLS-DA), showed a trend of separation of those samples based on the metabolites present in the methanol/water (1:1) extract. Older pods had a higher content of glucovanillin, vanillin, p-hydroxybenzaldehyde glucoside, p-hydroxybenzaldehyde, and sucrose, while younger pods had more bis[4-(beta-D-glucopyranosyloxy)-benzyl]-2-isopropyltartrate (glucoside A), bis[4-(beta-D-glucopyranosyloxy)-benzyl]-2-(2-butyl)tartrate (glucoside B), glucose, malic acid, and homocitric acid. A liquid chromatography-mass spectrometry (LC-MS) analysis targeted at phenolic compound content was also performed on the developing pods and confirmed the NMR results. Ratios of aglycones/glucosides were estimated and thus allowed for detection of more minor metabolites in the green vanilla pods. Quantification of compounds based on both LC-MS and NMR analyses showed that free vanillin can reach 24% of the total vanillin content after 8 months of development in the vanilla green pods.

Particle acceleration during magnetic reconnection in a low-beta pair plasma

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

Guo, Fan; Li, Hui; Daughton, William

Plasma energization through magnetic reconnection in the magnetically dominated regime featured by low plasma beta (β=8πnkT0/B 2 <<1) and/or high magnetization (σ=B 2/(4πnmc 2)>>1) is important in a series of astrophysical systems such as solar flares, pulsar wind nebula, and relativistic jets from black holes. In this paper, we review the recent progress on kinetic simulations of this process and further discuss plasma dynamics and particle acceleration in a low-β reconnection layer that consists of electron–positron pairs. We also examine the effect of different initial thermal temperatures on the resulting particle energy spectra. While earlier papers have concluded that themore » spectral index is smaller for higher σ, our simulations show that the spectral index approaches p = 1 for sufficiently low plasma β, even if σ~1. Since this predicted spectral index in the idealized limit is harder than most observations, it is important to consider effects that can lead to a softer spectrum such as open boundary simulations. Here, we also remark that the effects of three-dimensional reconnection physics and turbulence on reconnection need to be addressed in the future.« less

A single-point mutation in the extreme heat- and pressure-resistant sso7d protein from sulfolobus solfataricus leads to a major rearrangement of the hydrophobic core.

PubMed

Consonni, R; Santomo, L; Fusi, P; Tortora, P; Zetta, L

1999-09-28

Sso7d is a basic 7-kDa DNA-binding protein from Sulfolobus solfataricus, also endowed with ribonuclease activity. The protein consists of a double-stranded antiparallel beta-sheet, onto which an orthogonal triple-stranded antiparallel beta-sheet is packed, and of a small helical stretch at the C-terminus. Furthermore, the two beta-sheets enclose an aromatic cluster displaying a fishbone geometry. We previously cloned the Sso7d-encoding gene, expressed it in Escherichia coli, and produced several single-point mutants, either of residues located in the hydrophobic core or of Trp23, which is exposed to the solvent and plays a major role in DNA binding. The mutation F31A was dramatically destabilizing, with a loss in thermo- and piezostabilities by at least 27 K and 10 kbar, respectively. Here, we report the solution structure of the F31A mutant, which was determined by NMR spectroscopy using 744 distance constraints obtained from analysis of multidimensional spectra in conjunction with simulated annealing protocols. The most remarkable finding is the change in orientation of the Trp23 side chain, which in the wild type is completely exposed to the solvent, whereas in the mutant is largely buried in the aromatic cluster. This prevents the formation of a cavity in the hydrophobic core of the mutant, which would arise in the absence of structural rearrangements. We found additional changes produced by the mutation, notably a strong distortion in the beta-sheets with loss in several hydrogen bonds, increased flexibility of some stretches of the backbone, and some local strains. On one hand, these features may justify the dramatic destabilization provoked by the mutation; on the other hand, they highlight the crucial role of the hydrophobic core in protein stability. To the best of our knowledge, no similar rearrangement has been so far described as a result of a single-point mutation.

Ionization of isocitrate bound to pig hear NADP/sup +/-dependent isocitrate dehydrogenase: /sup 13/C NMR study of substrate binding

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

Ehrlich, R.S.; Colman, R.F.

1987-06-16

Isocitrate and ..cap alpha..-ketoglutarate have been synthesized with carbon-13 enrichment at specific positions. The /sup 13/C NMR spectra of these derivatives were measured as a function of pH. The magnitudes of the changes in chemical shifts with pH for free isocitrate and the magnesium-isocitrate complex suggest that the primary site of ionization at the ..beta..-carboxyl. In the presence of the enzyme NADP/sup +/-dependent isocitrate dehydrogenase and the activating metal magnesium, the carbon-13 resonances of all three carboxyls remain constant from pH 5.5 to pH 7.5. Thus, the carboxyls remain in the ionized form in the enzyme-isocitrate complex. The ..cap alpha..-hydroxylmore » carbon resonance could not be located in the enzyme-isocitrate complex, suggesting immobilization of this group. Magnesium produces a 2 ppm downfield shift of the ..beta..-carboxyl but does not change the resonances of the ..cap alpha..- and ..gamma..-carboxyls. This result is consistent with metal activation of both the dehydrogenation and decarboxylation reactions. The /sup 13/C NMR spectrum of ..cap alpha..-ketoglutarate remains unchanged in the presence of isocitrate dehydrogenase, implying the absence of alterations in geometry in the enzyme-bound form. Formation of the quaternary complex with Mg/sup 2 +/ and NADPH leads to loss of the ..cap alpha..-ketoglutarate resonances and the appearance of new resonances characteristic of ..cap alpha..-hydroxyglutarate. In addition, a broad peak ascribed to the enol form of ..cap alpha..-ketoglutarate is observed. The substantial change in the shift of the ..beta..-carboxyl of isocitrate and the lack of significant shifts in the other carboxyls of isocitrate or ..cap alpha..-ketoglutarate suggest that interaction of the ..beta..-carboxyl with the enzyme contributes to the tighter binding of isocitrate and may be significant for the oxidative decarboxylation function of isocitrate dehydrogenase.« less

Screening of ovarian steroidogenic pathway in Ciona intestinalis and its modulation after tributyltin exposure

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

Cangialosi, Maria Vittoria; Puccia, Egidio; Mazzola, Antonio

2010-05-15

In this study, we have identified several ovarian steroids in Ciona with high similarity to vertebrate steroids and showed that cholesterol, corticosterone, dehydroepiandrosterone, estrone, estradiol-17beta, testosterone, pregnenolone, progesterone, have identical molecular spectra with vertebrate steroids. In addition, we have studied the effects of an endocrine disruptor (tributyltin: TBT) on these sex hormones and their precursors, ovarian morphology, and gene expression of some key enzymes in steroidogenic pathway in the ovary of Ciona. Ovarian specimens were cultured in vitro using different concentrations of TBT (10{sup -5}, 10{sup -4} and 10{sup -3} M). Ethanol was used as solvent control. Gene expression analysismore » was performed for adrenodoxin (ADREN) and adrenodoxin reductase (ADOX) (mediators of acute steroidogenesis) and 17beta-hydroxysteroid dehydrogenase (17beta-HSD). These transcripts were detected and measured by quantitative (real-time) polymerase chain reaction (qPCR). Sex steroids and their precursors were identified and quantified by a gas chromatography-mass spectroscopy (GC-MS) method. Exposure of Ciona ovaries to TBT produced modulations (either increased or decreased) of sterols and sex steroid levels, whereas no significant differences in ADREN, ADOX or 17beta-HSD mRNA expression patterns were observed. Histological analysis shows that TBT produced several modifications on Ciona ovarian morphology that includes irregular outline of nuclear membrane, less compacted cytoplasm, in addition to test and granulosa cells that were detached from the oocyte membrane. Given that the ascidians represent very simple experimental models for the study of endocrine disruption by environmental contaminants, our findings provide excellent models for multiple identification and quantification of sex steroid and their precursors in biological samples exposed to endocrine-disrupting chemicals and for direct extrapolation of such effects across taxonomic groups and phyla. In addition, these results suggest that Cionaintestinalis may be a suitable species for molecular ecotoxicological studies and biomarker model for endocrine-disrupting effects in marine invertebrates.« less

Copper chemistry of beta-diketiminate ligands: monomer/dimer equilibria and a new class of bis(mu-oxo)dicopper compounds.

PubMed

Spencer, Douglas J E; Reynolds, Anne M; Holland, Patrick L; Jazdzewski, Brian A; Duboc-Toia, Carole; Le Pape, Laurent; Yokota, Seiji; Tachi, Yoshimitsu; Itoh, Shinobu; Tolman, William B

2002-12-02

A series of Cu(I) and Cu(II) complexes of a variety of beta-diketiminate ligands (L(-)) with a range of substitution patterns were prepared and characterized by spectroscopic, electrochemical, and, in several cases, X-ray crystallographic methods. Specifically, complexes of the general formula [LCuCl](2) were structurally characterized and their magnetic properties assessed through EPR spectroscopy of solutions and, in one instance, by variable-temperature SQUID magnetization measurements on a powder sample. UV-vis spectra indicated reversible dissociation to 3-coordinate monomers LCuCl in solution at temperatures above -55 degrees C. The Cu(I) complexes LCu(MeCN) exhibited reversible Cu(I)/Cu(II) redox couples with E(1/2) values between +300 and +520 mV versus NHE (cyclic voltammetry, MeCN solutions). These complexes were highly reactive with O(2), yielding intermediates that were identified as rare examples of neutral bis(mu-oxo)dicopper complexes on the basis of their EPR silence, diagnostic UV-vis absorption data, and O-isotope-sensitive resonance Raman spectroscopic features. The structural features of the compounds [LCuCl](2) and LCu(MeCN) as well as the proclivity to form bis(mu-oxo)dicopper products upon oxygenation of the Cu(I) complexes are compared to data previously reported for complexes of more sterically hindered beta-diketiminate ligands (Aboelella, N. W.; Lewis, E. A.; Reynolds, A. M.; Brennessel, W. W.; Cramer, C. J.; Tolman, W. B. J. Am. Chem. Soc. 2002, 124, 10600. Spencer, D. J. E.; Aboelella, N. W.; Reynolds, A. M.; Holland, P. L.; Tolman, W. B. J. Am. Chem. Soc. 2002, 124, 2108. Holland, P. L.; Tolman, W. B. J. Am. Chem. Soc. 1999, 121, 7270). The observed structural and reactivity differences are rationalized by considering the steric influences of both the substituents on the flanking aromatic rings and those present on the beta-diketiminate backbone.

Biodegradable materials based on silk fibroin and keratin.

PubMed

Vasconcelos, Andreia; Freddi, Giuliano; Cavaco-Paulo, Artur

2008-04-01

Wool and silk were dissolved and used for the preparation of blended films. Two systems are proposed: (1) blend films of silk fibroin and keratin aqueous solutions and (2) silk fibroin and keratin dissolved in formic acid. The FTIR spectra of pure films cast from aqueous solutions indicated that the keratin secondary structure mainly consists of alpha-helix and random coil conformations. The IR spectrum of pure SF is characteristic of films with prevalently amorphous structure (random coil conformation). Pure keratin film cast from formic acid shows an increase in the amount of beta-sheet and disordered keratin structures. The FTIR pattern of SF dissolved in formic acid is characteristic of films with prevalently beta-sheet conformations with beta-sheet crystallites embedded in an amorphous matrix. The thermal behavior of the blends confirmed the FTIR results. DSC curve of pure SF is typical of amorphous SF and the curve of pure keratin show the characteristic melting peak of alpha-helices for the aqueous system. These patterns are no longer observed in the films cast from formic acid due to the ability of formic acid to induce crystallization of SF and to increase the amount of beta-sheet structures on keratin. The nonlinear trend of the different parameters obtained from FTIR analysis and DSC curves of both SF/keratin systems indicate that when proteins are mixed they do not follow additives rules but are able to establish intermolecular interactions. Degradable polymeric biomaterials are preferred candidates for medical applications. It was investigated the degradation behavior of both SF/keratin systems by in vitro enzymatic incubation with trypsin. The SF/keratin films cast from water underwent a slower biological degradation than the films cast from formic acid. The weight loss obtained is a function of the amount of keratin in the blend. This study encourages the further investigation of the type of matrices presented here to be applied whether in scaffolds for tissue engineering or as controlled release drug delivery vehicles.

Photochemistry of the alkaloids eudistomin N (6-bromo-nor-harmane) and eudistomin O (8-bromo-nor-harmane) and other bromo-beta-carbolines.

PubMed

Tarzi, Olga I; Erra-Balsells, Rosa

2005-07-01

The UV-absorption, fluorescence excitation and emission spectra of the alkaloids eudistomin N (6-bromo-nor-harmane) and eudistomin O (8-bromo-nor-harmane) were described. In order to perform a comparative analysis, we also studied other bromo-beta-carbolines and the corresponding non-substituted-carboline. Thus, 6-bromo-, 8-bromo-, 6,8-dibromo-, 3,6-dibromo- and 3,6,8-tribromo-derivatives of nor-harmane, harmane and harmine were studied. These studies were performed in EtOH and in EtOH + 1% perchloric acid solutions (pa). Furthermore, fluorescence quantum yields (phi(f)) in acetonitrile and acetonitrile + 1% perchloric acid solutions at 298 K were measured. The HOMO and LUMO energy, the positions (lambda(max)) and oscillator strength (f) of the (1)S(1) <--(1)S(0) band for all the neutral and protonated beta-carbolines studied was calculated and compared with the experimental data. The pK(a) values in aqueous solution for eudistomin N and O (6-bromo- and 8-bromo-nor-harmane), for 6-bromo-, 8-bromo- and 6,8-dibromo-harmane, and for 6-bromo- and 8-bromo-harmine were spectrophotometrically measured (pK((a)(H(2)O))) . The change of the acid-base character of these compounds on going from the ground state (pK(a)) to the first electronic excited singlet state (pK(a)(*)) as DeltapK(a) = pK(a)(*)-pK(a) = 0.625 Deltanu /T, in ethanol solution at 298 K were calculated (DeltapK(a(EtOH))). Proton affinities (PA) for all the compounds studied defined as minus the enthalpy change of the reaction M+H(+)--> MH(+) (gas state) were calculated. Basicity relative to pyridine (DeltaH(rPy)) defined as the enthalpy change of the isodesmic reaction MH(+) + Py--> M + PyH(+) (gas state) was also calculated. The effect of bromine as substituent on the properties of the beta-carboline moiety in nor-harmane, harmane and harmine is discussed.

Conformational analysis of compstatin analogues with molecular dynamics simulations in explicit water.

PubMed

Tamamis, Phanourios; Skourtis, Spiros S; Morikis, Dimitrios; Lambris, John D; Archontis, Georgios

2007-09-01

The cyclic 13-residue peptide compstatin is a potential therapeutic agent against the unregulated activation of the complement system. A thorough knowledge of its structural and dynamical properties in solution may assist the design of improved complement inhibitors. NMR studies have suggested that the 5-8 segment of free compstatin folds into a critical for activity 5-8 beta turn and the rest of the peptide is mainly disordered. Earlier computational studies of compstatin analogues with a polar-hydrogen/generalized-Born approximation reproduced the 5-8 turn, but also indicated the formation of beta-hairpin or alpha-helical elements and the existence of interactions between certain charged or aromatic sidechains. However, these features are absent or partly present in the NMR spectra, due to extensive conformational averaging. In order to check the compstatin properties with a more rigorous model of the intra- and intermolecular interactions, we conduct here 98-ns all-atom/explicit-water simulations of three compstatin analogues with variable activity; a native analogue, the more active mutant V4W/H9A and the inactive mutant Q5G. The 5-8 beta-turn population is in good accord with NMR. For the systems studied here, the simulations suggest that the 5-8 turn population does not correlate strictly with activity, in agreement with earlier mutational studies. Furthermore, they show structural differences among the analogues outside the 5-8 region. The possible role of these differences in activity is discussed. The probability of beta-hairpin or alpha-helix elements is much smaller with respect to the polar-hydrogen/GB simulations, and the persistent Trp4-Trp7 or Asp6-Arg11 sidechain interactions of the earlier GB studies are not reproduced. The present simulations extend the NMR data and improve our understanding of the properties of compstatin and related analogues.

Is Congo red an amyloid-specific dye?

PubMed

Khurana, R; Uversky, V N; Nielsen, L; Fink, A L

2001-06-22

Congo red (CR) binding, monitored by characteristic yellow-green birefringence under crossed polarization has been used as a diagnostic test for the presence of amyloid in tissue sections for several decades. This assay is also widely used for the characterization of in vitro amyloid fibrils. In order to probe the structural specificity of Congo red binding to amyloid fibrils we have used an induced circular dichroism (CD) assay. Amyloid fibrils from insulin and the variable domain of Ig light chain demonstrate induced CD spectra upon binding to Congo red. Surprisingly, the native conformations of insulin and Ig light chain also induced Congo red circular dichroism, but with different spectral shapes than those from fibrils. In fact, a wide variety of native proteins exhibited induced CR circular dichroism indicating that CR bound to representative proteins from different classes of secondary structure such as alpha (citrate synthase), alpha + beta (lysozyme), beta (concavalin A), and parallel beta-helical proteins (pectate lyase). Partially folded intermediates of apomyoglobin induced different Congo red CD bands than the corresponding native conformation, however, no induced CD bands were observed with unfolded protein. Congo red was also found to induce oligomerization of native proteins, as demonstrated by covalent cross-linking and small angle x-ray scattering. Our data suggest that Congo red is sandwiched between two protein molecules causing protein oligomerization. The fact that Congo red binds to native, partially folded conformations and amyloid fibrils of several proteins shows that it must be used with caution as a diagnostic test for the presence of amyloid fibrils in vitro.

Dynamics of corticospinal motor control during overground and treadmill walking in humans.

PubMed

Roeder, Luisa; Boonstra, Tjeerd Willem; Smith, Simon S; Kerr, Graham K

2018-05-30

Increasing evidence suggests cortical involvement in the control of human gait. However, the nature of corticospinal interactions remains poorly understood. We performed time-frequency analysis of electrophysiological activity acquired during treadmill and overground walking in 22 healthy, young adults. Participants walked at their preferred speed (4.2, SD 0.4 km h -1 ), which was matched across both gait conditions. Event-related power, corticomuscular coherence (CMC) and inter-trial coherence (ITC) were assessed for EEG from bilateral sensorimotor cortices and EMG from the bilateral tibialis anterior (TA) muscles. Cortical power, CMC and ITC at theta, alpha, beta and gamma frequencies (4-45 Hz) increased during the double support phase of the gait cycle for both overground and treadmill walking. High beta (21-30 Hz) CMC and ITC of EMG was significantly increased during overground compared to treadmill walking, as well as EEG power in theta band (4-7 Hz). The phase spectra revealed positive time lags at alpha, beta and gamma frequencies, indicating that the EEG response preceded the EMG response. The parallel increases in power, CMC and ITC during double support suggest evoked responses at spinal and cortical populations rather than a modulation of ongoing corticospinal oscillatory interactions. The evoked responses are not consistent with the idea of synchronization of ongoing corticospinal oscillations, but instead suggest coordinated cortical and spinal inputs during the double support phase. Frequency-band dependent differences in power, CMC and ITC between overground and treadmill walking suggest differing neural control for the two gait modalities, emphasizing the task-dependent nature of neural processes during human walking.

Beta-lactamase-catalyzed aminolysis of depsipeptides: proof of the nonexistence of a specific D-phenylalanine/enzyme complex by double-label isotope trapping.

PubMed

Pazhanisamy, S; Pratt, R F

1989-08-22

The steady-state kinetics of the Enterobacter cloacae P99 beta-lactamase-catalyzed aminolysis of the depsipeptide m-[[(phenylacetyl)glycyl]oxy]benzoic acid by D-phenylalanine were consistent with an ordered sequential mechanism with D-phenylalanine binding first [Pazhanisamy, S., Govardhan, C. P., & Pratt, R. F. (1989) Biochemistry (first of three papers in this issue)]. In terms of this mechanism, the kinetics data required that in 20 mM MOPS buffer, pH 7.5, the dissociation constant of the initially formed enzyme/D-phenylalanine complex be around 1.3 mM; at pH 9.0 in 0.1 M carbonate buffer, the complex should be somewhat more stable. Attempts to detect this complex in a binary mixture by spectroscopic methods (fluorescence, circular dichroic, and nuclear magnetic resonance spectra) failed. Kinetic methods were also unsuccessful--the presence of 20 mM D-phenylalanine did not appear to affect beta-lactamase activity nor inhibition of the enzyme by phenylmethanesulfonyl fluoride, phenylboronic acid, or (3-dansylamidophenyl)boronic acid. Equilibrium dialysis experiments appeared to indicate that the dissociation constant of any binary enzyme/D-phenylalanine complex must be somewhat higher than the kinetics allowed (greater than 2 mM). Since the kinetics also required that, at high depsipeptide concentrations, and again with the assumption of the ordered sequential mechanism, the reaction of the enzyme/D-phenylalanine complex to aminolysis products be faster than its reversion to enzyme and D-phenylalanine, a double-label isotope-trapping experiment was performed.(ABSTRACT TRUNCATED AT 250 WORDS)

Validation of Spectral Analysis as a Noninvasive Tool to Assess Autonomic Regulation of Cardiovascular Function

NASA Technical Reports Server (NTRS)

Knapp, Charles F.; Evans, Joyce M.

1996-01-01

A major focus of our program has been to develop a sensitive noninvasive procedure to quantify early weightlessness-induced changes in cardiovascular function or potential dysfunction. Forty studies of healthy young volunteers (10 men and 10 women, each studied twice) were conducted to determine changes in the sympatho-vagal balance of autonomic control of cardiovascular regulation during graded headward and footward blood volume shifts. Changes in sympatho-vagal balance were classified by changes in the mean levels and spectral content of cardiovascular variables and verified by changes in circulating levels of catecholamines and pancreatic polypeptide. Possible shifts in intra/extravascular fluid were assessed from changes in hematocrit and plasma mass density while changes in the stimulus to regulate plasma volume were determined from Plasma Renin Activity (PRA). Autonomic blockade was used to unmask the relative contribution of sympathetic and parasympathetic efferent influences in response to 10 min each of 0, 20 and 40 mmHg Lower Body Negative Pressure (LBNP) and 15 and 30 mmHg Positive Pressure (LBPP). The combination of muscarinic blockade with graded LBNP and LBPP was used to evoke graded increases and decreases in sympathetic activity without parasympathetic contributions. The combination of beta blockade with graded LBNP and LBPP was used to produce graded increases and decreases in parasympathetic activity without beta sympathetic contributions. Finally, a combination of both beta and muscarinic blockades with LBNP and LBPP was used to determine the contribution from other, primarily alpha adrenergic, sources. Mean values, spectral analyses and time frequency analysis of R-R interval (HR), Arterial Pressure (AP), peripheral blood flow (RF), Stroke Volume (SV) and peripheral resistance (TPR) were performed for all phases of the study. Skin blood Flow (SF) was also measured in other studies and similarly analyzed. Spectra were examined for changes in three frequency regions (low 0.006 - 0.005 Hz (LF), mid 0.05 - 0.15 Hz (W), and high 0.15 - 0.45 Hz (EF)). The primary objective of the study was to indicate which changes in the mean values and/or spectra of cardiovascular variables consistently correlated with changes in sympatho-vagal balance in response to headward and footward fluid shifts. A secondaey objective was to quantify the vascular and extravascular fluid shifts evoked by LBNP and LBPP. The principal hypothesis being tested was that headward fluid shifts would evoke an increase in parasympathetic activity and footward fluid shifts would evoke an increase in sympathetic activity both of which would be detected by spectral analysis and verified by circulating hormones. Hematocrit (HCT), plasma mass density and plasma renin activity increased with muscarinic blockade and with LBNP, a response indicative of a plasma shift to extravascular spaces. Beta blockade alone or after muscarinic blockade had no effect on HCT or plasma mass density. With respect to intravascular fluid volume distribution, LBNP and LBPP produced sufficient upper body vascular fluid shifts to evoke appropriate autonomic regulatory responses.

The spectroscopic (FTIR, FT-IR gas phase and FT-Raman), first order hyperpolarizabilities, NMR analysis of 2,4-dichloroaniline by ab initio HF and density functional methods.

PubMed

Sundaraganesan, N; Karpagam, J; Sebastian, S; Cornard, J P

2009-07-01

In this work, the experimental and theoretical study on molecular structure and vibrational spectra of 2,4-dichloroaniline (2,4-DCA) were studied. The Fourier transform infrared (gas phase) and Fourier transform Raman spectra of 2,4-DCA were recorded. The molecular geometry and vibrational frequencies of 2,4-DCA in the ground state were calculated by using the Hartree-Fock (HF) and density functional (DF) methods (BLYP, B3LYP and SVWN) with 6-31G(d,p) as basis set. Comparison of the observed fundamental vibrational frequencies of 2,4-DCA with calculated results by HF and density functional methods indicates that BLYP is superior to other methods for molecular vibrational problems. The difference between the observed and scaled wave number values of most of the fundamentals is very small. The electric dipole moment (micro) and the first hyperpolarizability (beta) values of the investigated molecule were computed using ab initio quantum mechanical calculations. The calculated results also show that the 2,4-DCA molecule might have microscopic nonlinear optical (NLO) behavior with non-zero values. Natural atomic charges of 2,4-DCA and 4-chloroaniline was calculated and compared. The isotropic chemical shift computed by (13)C NMR analyses also shows good agreement with experimental observations. The theoretically predicted FTIR and FT-Raman spectra of the title molecule have been constructed.

Impact of fission neutron energies on reactor antineutrino spectra

NASA Astrophysics Data System (ADS)

Littlejohn, B. R.; Conant, A.; Dwyer, D. A.; Erickson, A.; Gustafson, I.; Hermanek, K.

2018-04-01

Recent measurements of reactor-produced antineutrino fluxes and energy spectra are inconsistent with models based on measured thermal fission beta spectra. In this paper, we examine the dependence of antineutrino production on fission neutron energy. In particular, the variation of fission product yields with neutron energy has been considered as a possible source of the discrepancies between antineutrino observations and models. In simulations of low-enriched and highly-enriched reactor core designs, we find a substantial fraction of fissions (from 5% to more than 40%) are caused by nonthermal neutrons. Using tabulated evaluations of nuclear fission and decay, we estimate the variation in antineutrino emission by the prominent fission parents U 235 , Pu 239 , and Pu 241 versus neutron energy. The differences in fission neutron energy are found to produce less than 1% variation in detected antineutrino rate per fission of U 235 , Pu 239 , and Pu 241 . Corresponding variations in the antineutrino spectrum are found to be less than 10% below 7 MeV antineutrino energy, smaller than current model uncertainties. We conclude that insufficient modeling of fission neutron energy is unlikely to be the cause of the various reactor anomalies. Our results also suggest that comparisons of antineutrino measurements at low-enriched and highly-enriched reactors can safely neglect the differences in the distributions of their fission neutron energies.

Europium III binding and the reorientation of magnetically aligned bicelles: insights from deuterium NMR spectroscopy.

PubMed Central

Crowell, K J; Macdonald, P M

2001-01-01

Solid-state deuterium ((2)H) NMR spectroscopy was used to study the reorientation of magnetically ordered bicelles in the presence of the paramagnetic lanthanide Eu(3+). Bicelles were composed of 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC) plus 1,2-dihexanoyl-sn-glycero-3-phosphocholine plus either the anionic lipid 1,2-dimyristoyl-sn-3-phosphoglycerol, or the cationic lipid 1,2-dimyristoyl-3-trimethyl ammonium propane. Alignment of the bicelles in the magnetic field produced (2)H NMR spectra consisting of a pair of quadrupole doublets, one from the alpha-deuterons and one from the beta-deuterons of DMPC-alpha,beta-d(4). Eu(3+) addition induced the appearance of a second set of quadrupole doublets, having approximately twice the quadrupolar splittings of the originals, and growing progressively in intensity with increasing Eu(3+), at the expense of the intensity of the originals. The new resonances were attributed to bicelles having a parallel alignment with respect to the magnetic field, as opposed to the perpendicular alignment preferred in the absence of Eu(3+). Therefore, the equilibrium degree and kinetics of reorientation could be evaluated from the (2)H NMR spectra. For more cationic initial surface charges, higher amounts of added Eu(3+) were required to induce a given degree of reorientation. However, the equilibrium degree of bicellar reorientation was found to depend solely on the amount of bound Eu(3+), regardless of the bicelle composition. The kinetics of reorientation were a function of lipid concentration. At high lipid concentration, a single fast rate of reorientation (minutes) described the approach to the equilibrium degree of orientation. At lower lipid concentrations, two rates processes were discernible: one fast (minutes) and one slow (hours). The data indicate, therefore, that bicelle reorientation is a phase transition made critical by bicelle-bicelle interactions. PMID:11423411

Changes in some thylakoid membrane proteins and pigments upon desiccation of the resurrection plant Haberlea rhodopensis.

PubMed

Georgieva, Katya; Röding, Anja; Büchel, Claudia

2009-09-15

The changes in some proteins involved in the light reactions of photosynthesis of the resurrection plant Haberlea rhodopensis were examined in connection with desiccation. Fully hydrated (control) and completely desiccated plants (relative water content (RWC) 6.5%) were used for thylakoid preparations. The chlorophyll (Chl) a to Chl b ratios of thylakoids isolated from control and desiccated leaves were very similar, which was also confirmed by measuring their absorption spectra. HPLC analysis revealed that beta-carotene content was only slightly enhanced in desiccated leaves compared with the control, but the zeaxanthin level was strongly increased. Desiccation of H. rhodopensis to an air-dried state at very low light irradiance led to a little decrease in the level of D1, D2, PsbS and PsaA/B proteins in thylakoids, but a relative increase in LHC polypeptides. To further elucidate whether the composition of the protein complexes of the thylakoid membranes had changed, we performed a separation of solubilized thylakoids on sucrose density gradients. In contrast to spinach, Haberlea thylakoids appeared to be much more resistant to the same solubilization procedure, i.e. complexes were not separated completely and complexes of higher density were found. However, the fractions analyzed provided clear evidence for a move of part of the antenna complexes from PSII to PSI when plants became desiccated. This move was also confirmed by low temperature emission spectra of thylakoids. Overall, the photosynthetic proteins remained comparatively stable in dried Haberlea leaves when plants were desiccated under conditions similar to their natural habitat. Low light during desiccation was enough to induce a rise in the xanthophyll zeaxanthin and beta-carotene. Together with the extensive leaf shrinkage and some leaf folding, increased zeaxanthin content and the observed shift in antenna proteins from PSII to PSI during desiccation of Haberlea contributed to the integrity of the photosynthetic apparatus, which is important for rapid recovery after rehydration.

Aggregation and structural changes of α(S1)-, β- and κ-caseins induced by homocysteinylation.

PubMed

Stroylova, Yulia Y; Zimny, Jaroslaw; Yousefi, Reza; Chobert, Jean-Marc; Jakubowski, Hieronim; Muronetz, Vladimir I; Haertlé, Thomas

2011-10-01

Elevated homocysteine levels are resulting in N-homocysteinylation of lysyl residues in proteins and they correlate with a number of human pathologies. However, the role of homocysteinylation of lysyl residues is still poorly known. In order to study the features of homocysteinylation of intrinsically unstructured proteins (IUP) bovine caseins were used as a model. α(S1)-, β- and κ-caseins, showing different aggregations and micelle formation, were modified with homocysteine-thiolactone and their physico-chemical properties were studied. Efficiency of homocysteine incorporation was estimated to be about 1.5, 2.1 and 1.3 homocysteyl residues per one β-, α(S1)-, and κ-casein molecule, respectively. Use of intrinsic and extrinsic fluorescent markers such as Trp, thioflavin T and ANS, reveal structural changes of casein structures after homocysteinylation reflected by an increase in beta-sheet content, which in some cases may be characteristic of amyloid-like transformations. CD spectra also show an increase in beta-sheet content of homocysteinylated caseins. Casein homocysteinylation leads in all cases to aggregation. The sizes of aggregates and aggregation rates were dependent on homocysteine thiolactone concentration and temperature. DLS and microscopic studies have revealed the formation of large aggregates of about 1-3μm. Homocysteinylation of α(S1)- and β-caseins results in formation of regular spheres. Homocysteinylated κ-casein forms thin unbranched fibrils about 400-800nm long. In case of κ-casein amyloidogenic effect of homocysteinylation was confirmed by Congo red spectra. Taken together, data indicate that N-homocysteinylation provokes significant changes in properties of native caseins. A comparison of amyloidogenic transformation of 3 different casein types, belonging to the IUP protein family, shows that the efficiency of amyloidogenic transformation upon homocysteinylation depends on micellization capacity, additional disulphide bonds and other structural features. Copyright © 2011 Elsevier B.V. All rights reserved.

Structural features and activity of Brazzein and its mutants upon substitution of a surfaced exposed alanine.

PubMed

Ghanavatian, Parisa; Khalifeh, Khosrow; Jafarian, Vahab

2016-12-01

Brazzein (Brz) is a member of sweet-tasting protein containing four disulfide bonds. It was reported as a compact and heat-resistant protein. Here, we have used site-directed mutagenesis and replaced a surface-exposed alanine with aspartic acid (A19D mutant), lysine (A19K mutant) and glycine (A19G mutant). Activity comparisons of wild-type (WT) and mutants using taste panel test procedure showed that A19G variant has the same activity as WT protein. However, introduction of a positive charge in A19K mutant led to significant increase in Brz's sweetness, while A19D has reduced sweetness compared to WT protein. Docking studies showed that mutation at position 19 results in slight chain mobility of protein at the binding surface and changing the patterns of interactions toward more effective binding of E9K variant in the concave surface of sweet taste receptor. Far-UV CD data spectra have a characteristic shape of beta structure for all variants, however different magnitudes of spectra suggest that beta-sheet structure in WT and A19G is more stable than that of A19D and A19K. Equilibrium unfolding studies with fluorescence spectroscopy and using urea and dithiothritol (DTT) as chemical denaturants indicates that A19G mutant gains more stability against urea denaturation; while conformational stability of A19D and A19K decreases when compared with WT and A19G variants. We concluded that the positive charge at the surface of protein is important factor responsible for the interaction of protein with the human sweet receptor and Ala 19 can be considered as a key region for investigating the mechanism of the interaction of Brz with corresponding receptor. Copyright © 2016 Elsevier B.V. and Société Française de Biochimie et Biologie Moléculaire (SFBBM). All rights reserved.

The qEEG Signature of Selective NMDA NR2B Negative Allosteric Modulators; A Potential Translational Biomarker for Drug Development

PubMed Central

Keavy, Deborah; Bristow, Linda J.; Sivarao, Digavalli V.; Batchelder, Margaret; King, Dalton; Thangathirupathy, Srinivasan; Macor, John E.; Weed, Michael R.

2016-01-01

The antidepressant activity of the N-methyl-D-aspartate (NMDA) receptor channel blocker, ketamine, has led to the investigation of negative allosteric modulators (NAMs) selective for the NR2B receptor subtype. The clinical development of NR2B NAMs would benefit from a translational pharmacodynamic biomarker that demonstrates brain penetration and functional inhibition of NR2B receptors in preclinical species and humans. Quantitative electroencephalography (qEEG) is a translational measure that can be used to demonstrate pharmacodynamic effects across species. NMDA receptor channel blockers, such as ketamine and phencyclidine, increase the EEG gamma power band, which has been used as a pharmacodynamic biomarker in the development of NMDA receptor antagonists. However, detailed qEEG studies with ketamine or NR2B NAMs are lacking in nonhuman primates. The aim of the present study was to determine the effects on the qEEG power spectra of the NR2B NAMs traxoprodil (CP-101,606) and BMT-108908 in nonhuman primates, and to compare them to the NMDA receptor channel blockers, ketamine and lanicemine. Cynomolgus monkeys were surgically implanted with EEG radio-telemetry transmitters, and qEEG was measured after vehicle or drug administration. The relative power for a number of frequency bands was determined. Ketamine and lanicemine increased relative gamma power, whereas the NR2B NAMs traxoprodil and BMT-108908 had no effect. Robust decreases in beta power were elicited by ketamine, traxoprodil and BMT-108908; and these agents also produced decreases in alpha power and increases in delta power at the doses tested. These results suggest that measurement of power spectra in the beta and delta bands may represent a translational pharmacodynamic biomarker to demonstrate functional effects of NR2B NAMs. The results of these studies may help guide the selection of qEEG measures that can be incorporated into early clinical evaluation of NR2B NAMs in healthy humans. PMID:27035340

Yields of short-lived fission products produced following {sup 235}U(n{sub th},f)

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

Tipnis, S.V.; Campbell, J.M.; Couchell, G.P.

1998-08-01

Measurements of gamma-ray spectra, following the thermal neutron fission of {sup 235}U have been made using a high purity germanium detector at the University of Massachusetts Lowell (UML) Van de Graaff facility. The gamma spectra were measured at delay times ranging from 0.2 s to nearly 10thinsp000 s following the rapid transfer of the fission fragments with a helium-jet system. On the basis of the known gamma transitions, forty isotopes have been identified and studied. By measuring the relative intensities of these transitions, the relative yields of the various precursor nuclides have been calculated. The results are compared with themore » recommended values listed in the ENDF/B-VI fission product data base (for the lifetimes and the relative yields) and those published in the Nuclear Data Sheets (for the beta branching ratios). This information is particularly useful for the cases of short-lived fission products with lifetimes of the order of fractions of a second or a few seconds. Independent yields of many of these isotopes have rather large uncertainties, some of which have been reduced by the present study. {copyright} {ital 1998} {ital The American Physical Society}« less

An IUE survey of activity in red giants and supergiants

NASA Technical Reports Server (NTRS)

Oznovich, I.; Gibson, D. M.

1987-01-01

Chromospheric and transition region line activity is examined in apparently single red giants and supergiants using the IUE archives. Low-resolution, large-aperture spectra (mostly short-wavelength) were used to search for variations of emission-line fluxes in time. A series of automatic processing procedures were implemented in order to uniformly calibrate a large number of spectra, fit continua to each of them, determine the fluxes of as many as 18 emission lines, and compare them at different epochs. A method is offered to compute the overall error in the integrated flux, a critical measure of activity, independent of the observing and processing details. This processing was applied to above 120 images of 26 stars taken over a period of 7 yr (1978-1984). Four stars showed UV emission-line flux variations. Alpha Aqr, Beta Peg, and Sigma Oph showed a single enhanced-emission event in all detectable emission lines. Gamma Aql exhibited an increase in the flux level of the O I (1641 A) line in mid-1981 with no comparable change in any other lines. These four stars lie in a region of the H-R diagram in which time-dependent circumstellar absorption lines appear.

Development of a Buried Layer Platform at the OMEGA Laser to Study Open L-Shell Spectra from Coronal (non-LTE) Plasmas

NASA Astrophysics Data System (ADS)

Marley, Edward; Jarrot, Charlie; Schneider, Marilyn; Kemp, Elijah; Foord, Mark; Heeter, Robert; Liedahl, Duane; Widmann, Klause; Mauche, Christopher; Brown, Greg; Emig, James

2017-10-01

A buried layer platform is being developed at the OMEGA laser to study the open L-shell spectra of coronal (non LTE) plasmas (ne few 1021/cm3, Te 0.8-1.2 keV) of mid Z materials. Studies have been done using a 250 μm diameter dot composed of a layer of 1200 Å thick Zn between two 600 Å thick layers of Ti, in the center of a 1000 μm diameter, 13 μm thick beryllium tamper. Lasers heat the target from both sides for up to 3 ns. The size of the microdot vs time was measured with x-ray imaging (face-on and side-on). The radiant x-ray power was measured with a low-resolution absolutely calibrated x-ray spectrometer (DANTE). The temperature was measured from the Ti helium-beta complex. The use of this platform for the verification of atomic models is discussed. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Multiple spatial scale analyses provide new clues on patterns and drivers of deep-sea nematode diversity

NASA Astrophysics Data System (ADS)

Danovaro, Roberto; Carugati, Laura; Corinaldesi, Cinzia; Gambi, Cristina; Guilini, Katja; Pusceddu, Antonio; Vanreusel, Ann

2013-08-01

The deep sea is the largest biome of the biosphere. The knowledge of the spatial variability of deep-sea biodiversity is one of the main challenges of marine ecology and evolutionary biology. The choice of the observational spatial scale is assumed to play a key role for understanding processes structuring the deep-sea benthic communities and one of the most typical features of marine biodiversity distribution is the existence of bathymetric gradients. However, the analysis of biodiversity bathymetric gradients and the associated changes in species composition (beta diversity) typically compared large depth ranges (with intervals of 500 to 1000 or even 2000 m depth among sites). To test whether significant changes in alpha and beta diversity occur also at fine-scale bathymetric gradients (i.e., within few hundred-meter depth intervals) the variability of deep-sea nematode biodiversity and assemblage composition along a bathymetric transect (200-1200 m depth) with intervals of 200 m among sampling depths, was investigated. A hierarchical sampling strategy for the analysis of nematode species richness, beta diversity, functional (trophic) diversity, and related environmental variables, was used. The results indicate the lack of significant differences in taxonomic and functional diversity across sampling depths, but the presence of high beta diversity at all spatial scales investigated: between cores collected from the same box corer (on average 56%), among deployments at the same depth (58%), and between all sampling depths (62%). Such high beta diversity is influenced by the presence of small-scale patchiness in the deep sea and is also related to the large number of rare or very rare species (typically accounting for >80% of total species richness). Moreover, the number of ubiquitous nematode species across all sampling depths is quite low (ca. 15%). Multiple regression analyses provide evidence that such patterns could be related to the different availability, composition and size spectra of food particles in the sediments. Additionally, though to a lesser extent, our results indicate, that selective predation can influence the nematode trophic composition. These findings suggest that a multiple scale analysis based on a nested sampling design could significantly improve our knowledge of bathymetric patterns of deep-sea biodiversity and its drivers.

Tuning the conformational properties of the prion peptide.

PubMed

Ho, Chai-Chi; Lee, Lily Y-L; Huang, Kuo-Ting; Lin, Chun-Cheng; Ku, Mei-Yun; Yang, Chien-Chih; Chan, Sunney I; Hsu, Ruei-Lin; Chen, Rita P-Y

2009-07-01

Previously, we disclosed that O-linked glycosylation of Ser-132 or Ser-135 could dramatically change the amyloidogenic property of the hamster prion peptide (sequence 108-144). This peptide, which corresponds to the flexible loop and the first beta-strand in the structure of the prion protein, is a random coil when it is initially dissolved in buffer, but amyloid fibrils are formed with time. Thus, it offers a convenient model system to observe and compare how different chemical modifications and sequence mutations alter the amyloidogenic property of the peptide within a reasonable experimental time frame. In our earlier study, aside from uncovering a site-specificity of the glycosylation on the fibrillogenesis, different effects of alpha-GalNAc and beta-GlcNAc were observed. In this work, we explore further how different sugar configurations affect the conformational property of the polypeptide chain. We compare the effects of O-linked glycosylation by the common sugars alpha-GalNAc, beta-GlcNAc with their non-native analogs beta-GalNAc, alpha-GlcNAc in an effort to uncover the origin of the sugar-specificity on the fibril formation. We find that the anomeric configuration of the sugar is the most important factor affecting the fibrillogenesis. Sugars with the glycosidic bond in the alpha-configuration at Ser-135 have a dramatic inhibitory effect on the structural conversion of the glycosylated peptide. Because O-glycosylation of Ser-135 with alpha-linked sugars also promote the formation of three slowly converting conformations at the site of glycosylation, we surmise that the amyloidogenic property of the peptide is related to its conformational flexibility, and the proclivity of this region of the peptide to undergo the structural conversion from the random coil to form the beta-structure. Upon O-glycosylation with an alpha-linked sugar, this conversion is inhibited and the nucleation of fibril formation is largely retarded. Consistent with this scenario, Arg-136 is the residue most affected in the TOCSY NMR spectra of the glycosylated peptides, other than the serine site modified. In addition, when Arg-136 is substituted by Gly, a mutation that should provide higher structural flexibility in this part of the peptide, the amyloidogenic property of the peptide is greatly enhanced, and the inhibition effect of glycosylation is largely diminished. These results are consistent with Ser-135 and Arg-136 being part of the kink region involved in the structural conversion.

HEAO-A2 observations of the X-ray spectra of the Centaurus and A1060 clusters of galaxies

NASA Technical Reports Server (NTRS)

Mitchell, R.; Mushotzky, R.

1979-01-01

The X-ray spectral observations of two low luminosity clusters of galaxies, Centaurus and A1060, are presented. An emission feature of the Centaurus cluster at 7.9 keV is detected at about one third of the strength of the 6.7 keV line. This higher energy line represents K sub beta emission from highly ionized iron. An isothermal model with an Fe emission line is discussed and it is shown that the model cannot fit the data of the Centaurus or the A1060 clusters. The implications of the two component nature of the continuum on the Fe abundance and the X-ray surface brightness distribution are discussed.

Homonuclear long-range correlation spectra from HMBC experiments by covariance processing.

PubMed

Schoefberger, Wolfgang; Smrecki, Vilko; Vikić-Topić, Drazen; Müller, Norbert

2007-07-01

We present a new application of covariance nuclear magnetic resonance processing based on 1H--13C-HMBC experiments which provides an effective way for establishing indirect 1H--1H and 13C--13C nuclear spin connectivity at natural isotope abundance. The method, which identifies correlated spin networks in terms of covariance between one-dimensional traces from a single decoupled HMBC experiment, derives 13C--13C as well as 1H--1H spin connectivity maps from the two-dimensional frequency domain heteronuclear long-range correlation data matrix. The potential and limitations of this novel covariance NMR application are demonstrated on two compounds: eugenyl-beta-D-glucopyranoside and an emodin-derivative. Copyright (c) 2007 John Wiley & Sons, Ltd.

Programming a Detector Emulator on NI's FlexRIO Platform

NASA Astrophysics Data System (ADS)

Gervais, Michelle; Crawford, Christopher; Sprow, Aaron; Nab Collaboration

2017-09-01

Recently digital detector emulators have been on the rise as a means to test data acquisition systems and analysis toolkits from a well understood data set. National Instruments' PXIe-7962R FPGA module and Active Technologies AT-1212 DAC module provide a customizable platform for analog output. Using a graphical programming language, we have developed a system capable of producing two time-correlated channels of analog output which sample unique amplitude spectra to mimic nuclear physics experiments. This system will be used to model the Nab experiment, in which a prompt beta decay electron is followed by a slow proton according to a defined time distribution. We will present the results of our work and discuss further development potential. DOE under Contract DE-SC0008107.

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

Wemmer, D.E.; Kumar, N.V.; Metrione, R.M.

Toxin II from Radianthus paumotensis (Rp/sub II/) has been investigated by high-resolution NMR and chemical sequencing methods. Resonance assignments have been obtained for this protein by the sequential approach. NMR assignments could not be made consistent with the previously reported primary sequence for this protein, and chemical methods have been used to determine a sequence with which the NMR data are consistent. Analysis of the 2D NOE spectra shows that the protein secondary structure is comprised of two sequences of ..beta..-sheet, probably joined into a distorted continuous sheet, connected by turns and extended loops, without any regular ..cap alpha..-helical segments.more » The residues previously implicated in activity in this class of proteins, D8 and R13, occur in a loop region.« less

Simulation of Auger electron emission from nanometer-size gold targets using the Geant4 Monte Carlo simulation toolkit

DOE PAGES

Incerti, S.; Suerfu, B.; Xu, J.; ...

2016-02-16

We report that a revised atomic deexcitation framework for the Geant4 general purpose Monte Carlo toolkit capable of simulating full Auger deexcitation cascades was implemented in June 2015 release (version 10.2 Beta). An overview of this refined framework and testing of its capabilities is presented for the irradiation of gold nanoparticles (NP) with keV photon and MeV proton beams. The resultant energy spectra of secondary particles created within and that escape the NP are analyzed and discussed. It is anticipated that this new functionality will improve and increase the use of Geant4 in the medical physics, radiobiology, nanomedicine research andmore » other low energy physics fields.« less

The structure, energy balance, and winds of cool stars

NASA Technical Reports Server (NTRS)

Linsky, J. L.

1982-01-01

The phenomena associated with magnetic fields in the Sun are summarized and it is shown that similar phenomena occur in cool stars. High dispersion spectra are providing unique information concerning densities, atmospheric extension, and emission line widths. A recent unanticipated discovery is that the transition lines are redshifted (an antiwind) in beta Dra (G2 Ib) and perhaps other stars. This is interpreted as indicating downflows in closed magnetic flux tubes as are seen in the solar flux tubes above sunspots. The G and K giants and supergiants are classified as active stars, quiet stars, or hybrid stars depending on whether their atmospheres are dominated by closed magnetic flux tubes, open field geometries, or a predominately open geometry with a few closed flux tubes embedded.

Analysis of uniformity of as prepared and irradiated S.I. GaAs radiation detectors

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

Nava, F.; Vanni, P.; Canali, C.

1998-06-01

SI (semi-insulating) LEC (Liquid Encapsulated Czochralsky) GaAs (gallium arsenide) Schottky barrier detectors have been irradiated with high energy protons (24 GeV/c, fluence up to 16.45 {times} 10{sup 13} p/cm{sup 2}). The detectors have been characterized in terms of I/V curves, charge collection efficiency (cce) for incident 5.48 MeV {alpha}-, 2 MeV proton and minimum ionizing {beta}-particles and of cce maps by microprobe technique IBIC (Ion Beam Induced Charge). At the highest fluence a significant degradation of the electron and hole collection efficiencies and a remarkable improvement of the Full Width Half Maximum (FWHM) energy resolution have been measured with {alpha}-more » and proton particles. Furthermore, the reduction in the cce is greater than the one measured with {beta}-particles and the energy resolution worsens with increasing the applied bias, V{sub a}, above the voltage V{sub d} necessary to extend the electric field al the way to the ohmic contact. On the contrary, in the unirradiated detectors the charge collection efficiencies with {alpha}-, {beta}- and proton particles are quite similar and the energy resolution improves with increasing V{sub a} > V{sub d}. IBIC spectra and IBIC space maps obtained by scanning a focused (8 {micro}m{sup 2}) 2 MeV proton microbeam on front (Schottky) and back (ohmic) contacts, support the observed electric field dependence of the energy resolution both in unirradiated and most irradiated detectors. The results obtained let them explain the effect of the electric field strength and the plasma on the collection of the charge carriers and the FWHM energy resolution.« less

Self-powdering and nonlinear optical domain structures in ferroelastic beta'-Gd{sub 2}(MoO{sub 4}){sub 3} crystals formed in glass

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

Tsukada, Y.; Honma, T.; Komatsu, T., E-mail: komatsu@mst.nagaokaut.ac.j

Ferroelastic beta'-Gd{sub 2}(MoO{sub 4}){sub 3}, (GMO), crystals are formed through the crystallization of 21.25Gd{sub 2}O{sub 3}-63.75MoO{sub 3}-15B{sub 2}O{sub 3} glass (mol%), and two scientific curious phenomena are observed. (1) GMO crystals formed in the crystallization break into small pieces with a triangular prism or pyramid shape having a length of 50-500 {mu}m spontaneously during the crystallizations in the inside of an electric furnace, not during the cooling in air after the crystallization. This phenomenon is called 'self-powdering phenomenon during crystallization' in this paper. (2) Each self-powdered GMO crystal grain shows a periodic domain structure with different refractive indices, and amore » spatially periodic second harmonic generation (SHG) depending on the domain structure is observed. It is proposed from polarized micro-Raman scattering spectra and the azimuthal dependence of second harmonic intensities that GMO crystals are oriented in each crystal grain and the orientation of (MoO{sub 4}){sup 2-} tetrahedra in GMO crystals changes periodically due to spontaneous strains in ferroelastic GMO crystals. - Graphical abstract: This figure shows the polarized optical photograph at room temperature for a particle (piece) obtained by a heat treatment of the glass at 590 deg. C for 2 h in an electric furnace in air. This particle was obtained through the self-powdering behavior in the crystallization of glass. The periodic domain structure is observed. Ferroelastic beta'-Gd{sub 2}(MoO{sub 4}){sub 3} crystals are formed in the particle, and second harmonic generations are detected, depending on the domain structure.« less

Matrix-assisted laser desorption/ionization-time of flight mass spectrometry identification of large colony beta-hemolytic streptococci containing Lancefield groups A, C, and G.

PubMed

Jensen, Christian Salgård; Dam-Nielsen, Casper; Arpi, Magnus

2015-08-01

The aim of this study was to investigate whether large colony beta-hemolytic streptococci containing Lancefield groups A, C, and G can be adequately identified using matrix-assisted laser desorption/ionization-time of flight mass spectrometry (MALDI-ToF). Previous studies show varying results, with an identification rate from below 50% to 100%. Large colony beta-hemolytic streptococci containing Lancefield groups A, C, and G isolated from blood cultures between January 1, 2007 and May 1, 2012 were included in the study. Isolates were identified to the species level using a combination of phenotypic characteristics and 16s rRNA sequencing. The isolates were subjected to MALDI-ToF analysis. We used a two-stage approach starting with the direct method. If no valid result was obtained we proceeded to an extraction protocol. Scores above 2 were considered valid identification at the species level. A total of 97 Streptococcus pyogenes, 133 Streptococcus dysgalactiae, and 2 Streptococcus canis isolates were tested; 94%, 66%, and 100% of S. pyogenes, S. dysgalactiae, and S. canis, respectively, were correctly identified by MALDI-ToF. In most instances when the isolates were not identified by MALDI-ToF this was because MALDI-ToF was unable to differentiate between S. pyogenes and S. dysgalactiae. By removing two S. pyogenes reference spectra from the MALDI-ToF database the proportion of correctly identified isolates increased to 96% overall. MALDI-ToF is a promising method for discriminating between S. dysgalactiae, S. canis, and S. equi, although more strains need to be tested to clarify this.

NMR analysis of cleaved Escherichia coli thioredoxin (1-73/74-108) and its P76A variant: cis/trans peptide isomerization.

PubMed Central

Yu, W. F.; Tung, C. S.; Wang, H.; Tasayco, M. L.

2000-01-01

Inspection of high resolution three-dimensional (3D) structures from the protein database reveals an increasing number of cis-Xaa-Pro and cis-Xaa-Yaa peptide bonds. However, we are still far from being able to predict whether these bonds will remain cis upon single-site substitution of Pro or Yaa and/or cleavage of a peptide bond close to it in the sequence. We have chosen oxidized Escherichia coli thioredoxin (Trx), a member of the Trx superfamily with a single alpha/beta domain and cis P76 to determine the effect of single-site substitution and/or cleavage on this isomer. Standard two-dimensional (2D) NMR analysis were performed on cleaved Trx (1-73/74-108) and its P76A variant. Analysis of the NOE connectivities indicates remarkable similarity between the secondary and supersecondary structure of the noncovalent complexes and Trx. Analysis of the 2D version of the HCCH-TOCSY and HMQC-NOESY-HMQC and 13C-filtered HMQC-NOESY spectra of cleaved Trx with uniformly 13C-labeled 175 and P76 shows surprising conservation of both cis P76 and packing of 175 against W31. A similar NMR analysis of its P76A variant provides no evidence for cis A76 and shows only subtle local changes in both the packing of 175 and the interstrand connectivities between its most protected hydrophobic strands (beta2 and beta4). Indeed, a molecular simulation model for the trans P76A variant of Trx shows only subtle local changes around the substitution site. In conclusion, cleavage of R73 is insufficient to provoke cis/trans isomerization of P76, but cleavage and single-site substitution (P76A) favors the trans isomer. PMID:10739243

The second Cu(II)-binding site in a proton-rich environment interferes with the aggregation of amyloid-beta(1-40) into amyloid fibrils.

PubMed

Jun, Sangmi; Gillespie, Joel R; Shin, Byong-kyu; Saxena, Sunil

2009-11-17

The overall morphology and Cu(II) ion coordination for the aggregated amyloid-beta(1-40) [Abeta(1-40)] in N-ethylmorpholine (NEM) buffer are affected by Cu(II) ion concentration. This effect is investigated by transmission electron microscopy (TEM), atomic force microscopy (AFM), and electron spin echo envelope modulation (ESEEM) spectroscopy. At lower than equimolar concentrations of Cu(II) ions, fibrillar aggregates of Abeta(1-40) are observed. At these concentrations of Cu(II), the monomeric and fibrillar Abeta(1-40) ESEEM data indicate that the Cu(II) ion is coordinated by histidine residues. For aggregated Abeta(1-40) at a Cu(II):Abeta molar ratio of 2:1, TEM and AFM images show both linear fibrils and granular amorphous aggregates. The ESEEM spectra show that the multi-histidine coordination for Cu(II) ion partially breaks up and becomes exposed to water or exchangeable protons of the peptide at a higher Cu(II) concentration. Since the continuous-wave electron spin resonance results also suggest two copper-binding sites in Abeta(1-40), the proton ESEEM peak may arise from the second copper-binding site, which may be significantly involved in the formation of granular amorphous aggregates. Thioflavin T fluorescence and circular dichroism experiments also show that Cu(II) inhibits the formation of fibrils and induces a nonfibrillar beta-sheet conformation. Therefore, we propose that Abeta(1-40) has a second copper-binding site in a proton-rich environment and the second binding Cu(II) ion interferes with a conformational transition into amyloid fibrils, inducing the formation of granular amorphous aggregates.

Dissipation of Alfven Waves at Fluid Scale through Parametric Decay Instabilities in Low-beta Turbulent Plasma

NASA Astrophysics Data System (ADS)

Fu, X.; Li, H.; Guo, F.; Li, X.; Roytershteyn, V.

2017-12-01

The solar wind is a turbulent magnetized plasma extending from the upper atmosphere of the sun to the edge of the heliosphere. It carries charged particles and magnetic fields originated from the Sun, which have great impact on the geomagnetic environment and human activities in space. In such a magnetized plasma, Alfven waves play a crucial role in carrying energy from the surface of the Sun, injecting into the solar wind and establishing power-law spectra through turbulent energy cascades. On the other hand, in compressible plasmas large amplitude Alfven waves are subject to a parametric decay instability (PDI) which converts an Alfven wave to another counter-propagating Alfven wave and an ion acoustic wave (slow mode). The counter-propagating Alfven wave provides an important ingredient for turbulent cascade, and the slow-mode wave provides a channel for solar wind heating in a spatial scale much larger than ion kinetic scales. Growth and saturation of PDI in quiet plasma have been intensively studied using linear theory and nonlinear simulations in the past. Here using 3D hybrid simulations, we show that PDI is still effective in turbulent low-beta plasmas, generating slow modes and causing ion heating. Selected events in WIND data are analyzed to identify slow modes in the solar wind and the role of PDI, and compared with our simulation results. We also investigate the validity of linear Vlasov theory regarding PDI growth and slow mode damping in turbulent plasmas. Since PDI favors low plasma beta, we expect to see more evidence of PDI in the solar wind close to the Sun, especially from the upcoming NASA's Parker Solar Probe mission which will provide unprecedented wave and plasma data as close as 8.5 solar radii from the Sun.

Three-Dimensional Electroencephalographic Changes on Low-Resolution Brain Electromagnetic Tomography (LORETA) During the Sleep Onset Period.

PubMed

Park, Doo-Heum; Ha, Jee Hyun; Ryu, Seung-Ho; Yu, Jaehak; Shin, Chul-Jin

2015-10-01

Electroencephalographic (EEG) patterns during sleep are markedly different from those measured during the waking state, but the process of falling asleep is not fully understood in terms of biochemical and neurophysiological aspects. We sought to investigate EEG changes that occur during the transitional period from wakefulness to sleep in a 3-dimensional manner to gain a better understanding of the physiological meaning of sleep for the brain. We examined EEG 3-dimensionally using LORETA (low-resolution electromagnetic tomography), to localize the brain region associated with changes that occur during the sleep onset period (SOP). Thirty-channel EEG was recorded in 61 healthy subjects. EEG power spectra and intracortical standardized LORETA were compared between 4 types of 30-second states, including the wakeful stage, transition stage, early sleep stage 1, and late sleep stage 1. Sleep onset began with increased delta and theta power and decreased alpha-1 power in the occipital lobe, and increased theta power in the parietal lobe. Thereafter, global reductions of alpha-1 and alpha-2 powers and greater increases of theta power in the occipito-parietal lobe occurred. As sleep became deeper in sleep stage 1, beta-2 and beta-3, powers decreased mainly in the frontal lobe and some regions of the parieto-temporo-limbic area. These findings suggest that sleep onset includes at least 3 steps in a sequential manner, which include an increase in theta waves in the posterior region of the brain, a global decrease in alpha waves, and a decrease in beta waves in the fronto-central area. © EEG and Clinical Neuroscience Society (ECNS) 2014.

[Gas chromatography for analysis of essential oils. Characteristics of essential oil of Dracocephalum species and the influence of extraction method on its composition].

PubMed

Lemberkovics, Eva; Kakasy, András Zoltán; Héthelyi, B Eva; Simándi, Béla; Böszörményi, Andrea; Balázs, Andrea; Szoke, Eva

2007-01-01

In this work the essential oil composition of some less known Dracocephalum species was studied and compared the effectiveness, selectivity and influence of different extraction methods (hydrodistillation, Soxhlet extraction with organic solvents and supercritical fluid extraction) on essential oils. For investigations in Hungary and Transylvania cultivated plant material was used. The analysis of essential oils was carried out by GC and GC-MS methods. The components were identified by standard addition, retention factors and mass spectra. The percentile evaluation of each volatile constituents was made on basis of GC-FID chromatograms. The accuracy of measurements was characterized by relative standard deviation. In the essential oil of D. renati Emb. (studied firstly by us) 18.3% of limonene was measured and carvone, citrals and linalyl acetate monoterpenes, methyl chavicol and some sesquiterpene (e.g. bicyclovetivenol) determined in lower quantities. We established that more than 50% of essential oil of D. grandiflorum L. was formed by sesquiterpenes (beta-caryophyllene and- oxide, beta-bourbonene, beta-cubebene, aromadendrene) and the essential oil of D. ruyschiana L. contained pinocamphone isomers in more than 60%. The oxygenated acyclic monoterpenes, the characteristic constituents of Moldavian dragonhead were present in some tenth percent only in D. renati oil. We found significant differences in the composition of the SFE extract and traditional essential oil of D. moldavica L. The supercritical fractions collected at the beginning of the extraction process were richer in valuable ester component (geranyl acetate) than the essential oil obtained by hydrodistillation. The fractions collected at the end of supercritical were poor in oxygenated monoterpenes but rich in minor compounds of traditional oil, e.g. palmitic acid.

Mussel glue protein has an open conformation.

PubMed

Williams, T; Marumo, K; Waite, J H; Henkens, R W

1989-03-01

Both native glue protein from marine mussels and a synthetic nonhydroxylated analog were analyzed by far-uv CD under a variety of conditions. Analysis of the CD spectra using various models strongly suggest a primarily random coil structure for both forms of the protein, a fact also supported by the absence of spectral change for the glue protein upon dilution into 6 M guanidine hydrochloride. The nonhydroxylated analog, which consists of 20 repeats of the peptide sequence Ala-Lys-Pro-Ser-Tyr-Pro-Pro-Thr-Tyr-Lys, was further characterized by enzyme modification using mushroom tyrosinase. Enzymatic hydroxylation of tyrosines was found to be best fit by a model containing two rate constants, 5.6 (+/- 0.6) X 10(-3) and 7.2 (+/- 0.3) X 10(-2) min-1. At equilibrium, HPLC analysis of digests showed nearly 100% conversion of Tyr-9 and only 15 to 35% conversion of Tyr-5. The Chou and Fasman rules for predicting structure were applied to the repeat sequence listed above. The rules predict the absence of alpha helix and beta pleated sheets in the structure of this peptide. On the other hand, beta turns are predicted to be present with Tyr-5 being in the region of highest probability. These data suggest that the protein in solution has only a small amount of secondary structure.

[UPLC-MS/MS determination of content of three iridoids of xingnaojing oral preparation in rat brains and study on their brain pharmacokinetics].

PubMed

Xu, Pan; Du, Shou-Ying; Lu, Yang; Bai, Jie; Liu, Hui-Min; Du, Qiu; Chen, Zhen-Zhen; Wang, Zhen

2014-06-01

To establish a UPLC-MS/MS method for the simultaneous determination of geniposide, genipin 1-O-beta-D-gentiobioside and geniposidic acid in rat brains and study the brain pharmacokinetics of the three iridoid glycosides in stroke rat after the oral administration of Xingnaojing. In this experiment, brain samples were precipitated with protein for twice. Acquity BEH C18 column was adopted, with acetonitrile-0.1% formic acid-water as the mobile phase for gradient elution. ESI source was adopted for mass spectra; multiple reaction monitoring (MRM) was conducted to detect negative ions. The time for sample analysis was 3.5 min. the results showed good linear relations among the three iridoid glycosides, with the extraction recovery between 99.6% and 114.3%, good intra- and inter-day precisions and accuracies and stability in line with the requirements. The t1/2 and MRT in the three components were similar in brains of stroke rats. Geniposide and genipin 1-O-beta-D-gentiobioside showed double peaks; where as geniposidic acid showed a single peak. In conclusion, the method is so specific, sensitive, accurate and reliable that it can be used to study the brain pharmacokinetics of Xingnaojing oral preparation.

[Rapid identification of two new isomers in bear bile powder by LC-Q-TOF-MS combined with PCC oxidation].

PubMed

Jian, Long-Hai; Hu, Chun; Yu, Hong; Wang, Ke; Ji, Shen

2013-07-01

A rapid method of Liquid chromatography-quadrupole time-of-flight mass spectrometry (LC-Q-TOF-MS) combined with pyridinium chlorochromate (PCC) oxidation has been developed to determine chemical structures of two novel isomers in bear bile powder. Derivatives of ursodeoxycholic acid (UDCA) and chenodeoxycholic acid (CDCA) were semi-synthesized by PCC oxidation, then were analyzed by LC-Q-TOF-MS. Separation was carried out on a reverse column with the mobile phase of acetonitrile-0.1% formic acid (45:55). The data of Q-TOF-MS was acquired by MS, MS/MS, positive and negative modes. Since UDCA and CDCA were stereochemical isomeric at an alcohol position, two oxidation products were same and have been confirmed by LC-Q-TOF-MS. Other two products were also determined based on the PCC oxidation theory. Samples of bear bile powder were dissolved by methanol and measured by LC-Q-TOF-MS. Two unknown peaks were found and identified by matching their retention times and accurate mass spectra ions with PCC oxidation productS. Finally, the structures of two new bile acids in bear bile powder were confirmed as 3alpha-hydroxy-7-oxo-5beta-cholanic acid, 7alpha-hydroxy-3-oxo-5beta-cholanic acid, respectively.

Structural polymorphism exhibited by a quasipalindrome present in the locus control region (LCR) of the human beta-globin gene cluster.

PubMed

Kaushik, Mahima; Kukreti, Shrikant

2006-01-01

Structural polymorphism of DNA is a widely accepted property. A simple addition to this perception has been our recent finding, where a single nucleotide polymorphism (SNP) site present in a quasipalindromic sequence of beta-globin LCR exhibited a hairpin-duplex equilibrium. Our current studies explore that secondary structures adopted by individual complementary strands compete with formation of a perfect duplex. Using gel-electrophoresis, ultraviolet (UV)-thermal denaturation, circular dichroism (CD) techniques, we have demonstrated the structural transitions within a perfect duplex containing 11 bp quasipalindromic stretch (TGGGG(G/C)CCCCA), to hairpins and bulge duplex forms. The extended version of the 11 bp duplex, flanked by 5 bp on both sides also demonstrated conformational equilibrium between duplex and hairpin species. Gel-electrophoresis confirms that the duplex coexists with hairpin and bulge duplex/cruciform species. Further, in CD spectra of duplexes, presence of two overlapping positive peaks at 265 and 285 nm suggest the features of A- as well as B-type DNA conformation and show oligomer concentration dependence, manifested in A --> B transition. This indicates the possibility of an architectural switching at quasipalindromic region between linear duplex to a cruciform structure. Such DNA structural variations are likely to be found in the mechanics of molecular recognition and manipulation by proteins.

Conformational stability of apoflavodoxin.

PubMed Central

Genzor, C. G.; Beldarraín, A.; Gómez-Moreno, C.; López-Lacomba, J. L.; Cortijo, M.; Sancho, J.

1996-01-01

Flavodoxins are alpha/beta proteins that mediate electron transfer reactions. The conformational stability of apoflavodoxin from Anaboena PCC 7119 has been studied by calorimetry and urea denaturation as a function of pH and ionic strength. At pH > 12, the protein is unfolded. Between pH 11 and pH 6, the apoprotein is folded properly as judged from near-ultraviolet (UV) circular dichroism (CD) and high-field 1H NMR spectra. In this pH interval, apoflavodoxin is a monomer and its unfolding by urea or temperature follows a simple two-state mechanism. The specific heat capacity of unfolding for this native conformation is unusually low. Near its isoelectric point (3.9), the protein is highly insoluble. At lower pH values (pH 3.5-2.0), apoflavodoxin adopts a conformation with the properties of a molten globule. Although apoflavodoxin at pH 2 unfolds cooperatively with urea in a reversible fashion and the fluorescence and far-UV CD unfolding curves coincide, the transition midpoint depends on the concentration of protein, ruling out a simple two-state process at acidic pH. Apoflavodoxin constitutes a promising system for the analysis of the stability and folding of alpha/beta proteins and for the study of the interaction between apoflavoproteins and their corresponding redox cofactors. PMID:8819170

Wide-bandwidth high-resolution search for extraterrestrial intelligence

NASA Technical Reports Server (NTRS)

Horowitz, Paul

1995-01-01

Research was accomplished during the third year of the grant on: BETA architecture, an FFT array, a feature extractor, the Pentium array and workstation, and a radio astronomy spectrometer. The BETA (this SETI project) system architecture has been evolving generally in the direction of greater robustness against terrestrial interference. The new design adds a powerful state-memory feature, multiple simultaneous thresholds, and the ability to integrate multiple spectra in a flexible state-machine architecture. The FFT array is reported with regards to its hardware verification, array production, and control. The feature extractor is responsible for maintaining a moving baseline, recognizing large spectral peaks, following the progress of previously identified interesting spectral regions, and blocking signals from regions previously identified as containing interference. The Pentium array consists of 21 Pentium-based PC motherboards, each with 16 MByte of RAM and an Ethernet interface. Each motherboard receives and processes the data from a feature extractor/correlator board set, passing on the results of a first analysis to the central Unix workstation (through which each is also booted). The radio astronomy spectrometer is a technological spinoff from SETI work. It is proposed to be a combined spectrometer and power-accumulator, for use at Arecibo Observatory to search for neutral hydrogen emission from condensations of neutral hydrogen at high redshift (z = 5).

High resolution x-ray fluorescence spectroscopy - a new technique for site- and spin-selectivity

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

Wang, Xin

1996-12-01

X-ray spectroscopy has long been used to elucidate electronic and structural information of molecules. One of the weaknesses of x-ray absorption is its sensitivity to all of the atoms of a particular element in a sample. Through out this thesis, a new technique for enhancing the site- and spin-selectivity of the x-ray absorption has been developed. By high resolution fluorescence detection, the chemical sensitivity of K emission spectra can be used to identify oxidation and spin states; it can also be used to facilitate site-selective X-ray Absorption Near Edge Structure (XANES) and site-selective Extended X-ray Absorption Fine Structure (EXAFS). Themore » spin polarization in K fluorescence could be used to generate spin selective XANES or spin-polarized EXAFS, which provides a new measure of the spin density, or the nature of magnetic neighboring atoms. Finally, dramatic line-sharpening effects by the combination of absorption and emission processes allow observation of structure that is normally unobservable. All these unique characters can enormously simplify a complex x-ray spectrum. Applications of this novel technique have generated information from various transition-metal model compounds to metalloproteins. The absorption and emission spectra by high resolution fluorescence detection are interdependent. The ligand field multiplet model has been used for the analysis of K{alpha} and K{beta} emission spectra. First demonstration on different chemical states of Fe compounds has shown the applicability of site selectivity and spin polarization. Different interatomic distances of the same element in different chemical forms have been detected using site-selective EXAFS.« less

Beta Pic-like Circumstellar Gas Disk Around 2 And

NASA Technical Reports Server (NTRS)

Cheng, Patricia

2003-01-01

This grant was awarded to support the data analysis and publication of results from our project entitled P Pic-like Circumstellar Gas Disk Around 2 And . We proposed to obtain FUSE observations of 2 And and study the characteristics and origin of its circumstellar gas. We observed 2 Andromedae with FUSE on 3-4 July 2001 in 11 exposures with a total exposure time of 21,289 seconds through the LWRS aperture. Our data were calibrated with Version 1.8.7 of the CALFUSE pipeline processing software. We corrected the wavelength scale for the heliocentric velocity error in this version of the CALFUSE software. The relative accuracy of the calibrated wavelength scale is +/- 9 km/s . We produced a co-added spectrum in the LiF 1B and LiF 2A channels (covering the 1100 to 1180 A region) by cross-correlating the 11 individual exposures and doing an exposure-time weighted average flux. The final co-added spectra have a signal-to-noise ratio in the stellar continuum near 1150 A of about 20. To obtain an absolute wavelength calibration, we cross-correlated our observed spectra with a model spectrum to obtain the best fit for the photospheric C I lines. Because the photospheric lines are very broad, this yields an absolute accuracy for the wavelength scale of approx.+/- 15 km/s. We then rebinned 5 original pixels to yield the optimal sampling of .033 A for each new pixel, because the calibrated spectra oversample the spectral resolution for FUSE+LWRS (R = 20,000 +/- 2,000).

Spectral comparison of directly imaged, young substellar companions using integral field spectroscopy - construction of an empiric log g sequence

NASA Astrophysics Data System (ADS)

Schmidt, T.; Neuhaüser, R.; Seifahrt, A.

2010-10-01

About 15 substellar companions with large separations (>∼50 AU) to their young primary stars and brown dwarfs are confirmed by both common proper motion and late-M / early-L type spectra. The origin and early evolution of these objects is still under debate. While often these substellar companions are regarded as brown dwarfs, they could possibly also be massive planets, the mass estimates are very uncertain so far. They are companions to primary stars or brown dwarfs in young associations and star forming regions like the TW Hya association, Upper Scorpius, Taurus, Beta Pic moving group, TucHor association, Lupus, Ophiuchus, and Chamaeleon, hence their ages and distances are well known, in contrast to free-floating brown dwarfs. An empirical classification is not possible, because a spectral sequence that is taking the lower gravity into account, is not existing. This problem leads to an apparent mismatch between spectra of old field type objects and young low-mass companions at the same effective temperature, hampering a determination of temperature and surface gravity independent from models. Now that about 15 such substellar candidates are found in associations of different ages, 1 - 35 Myrs, it is possible to study their spectra in comparison to each other using the advantage of light concentration by an adaptive optics system with their primary as guide star. Therefore we have begun the construction of an empirical log g sequence from beginning to observe all these substellar companions homogeneously using the AO-assisted integral field spectrograph SINFONI at VLT (ESO).

Molecular structure, spectroscopic studies and first-order molecular hyperpolarizabilities of p-amino acetanilide.

PubMed

Abraham, Jose P; Sajan, D; Joe, I Hubert; Jayakumar, V S

2008-11-15

The infrared absorption, Raman spectra and SERS spectra of p-amino acetanilide have been analyzed with the aid of density functional theory calculations at B3LYP/6-311G(d,p) level. The electric dipole moment (mu) and the first hyperpolarizability (beta) values of the investigated molecule have been computed using ab initio quantum mechanical calculations. The calculation results also show that the synthesized molecule might have microscopic nonlinear optical (NLO) behavior with non-zero values. Computed geometries reveal that the PAA molecule is planar, while secondary amide group is twisted with respect to the phenyl ring is found, upon hydrogen bonding. The hyperconjugation of the C=O group with adjacent C-C bond and donor-acceptor interaction associated with the secondary amide have been investigated using computed geometry. The carbonyl stretching band position is found to be influenced by the tendency of phenyl ring to withdraw nitrogen lone pair, intermolecular hydrogen bonding, conjugation and hyperconjugation. The existence of intramolecular C=O...H hydrogen bonded have been investigated by means of the natural bonding orbital (NBO) analysis. The influence of the decrease of N-H and C=O bond orders and increase of C-N bond orders due to donor-acceptor interaction has been identified in the vibrational spectra. The SERS spectral analysis reveals that the large enhancement of in-plane bending, out of plane bending and ring breathing modes in the surface-enhanced Raman scattering spectrum indicates that the molecule is adsorbed on the silver surface in a 'atleast vertical' configuration, with the ring perpendicular to the silver surface.

Critical Assessment of Analytical Techniques in the Search for Biomarkers on Mars: A Mummified Microbial Mat from Antarctica as a Best-Case Scenario

NASA Astrophysics Data System (ADS)

Blanco, Yolanda; Gallardo-Carreño, Ignacio; Ruiz-Bermejo, Marta; Puente-Sánchez, Fernando; Cavalcante-Silva, Erika; Quesada, Antonio; Prieto-Ballesteros, Olga; Parro, Víctor

2017-10-01

The search for biomarkers of present or past life is one of the major challenges for in situ planetary exploration. Multiple constraints limit the performance and sensitivity of remote in situ instrumentation. In addition, the structure, chemical, and mineralogical composition of the sample may complicate the analysis and interpretation of the results. The aim of this work is to highlight the main constraints, performance, and complementarity of several techniques that have already been implemented or are planned to be implemented on Mars for detection of organic and molecular biomarkers on a best-case sample scenario. We analyzed a 1000-year-old desiccated and mummified microbial mat from Antarctica by Raman and IR (infrared) spectroscopies (near- and mid-IR), thermogravimetry (TG), differential thermal analysis, mass spectrometry (MS), and immunological detection with a life detector chip. In spite of the high organic content (ca. 20% wt/wt) of the sample, the Raman spectra only showed the characteristic spectral peaks of the remaining beta-carotene biomarker and faint peaks of phyllosilicates over a strong fluorescence background. IR spectra complemented the mineralogical information from Raman spectra and showed the main molecular vibrations of the humic acid functional groups. The TG-MS system showed the release of several volatile compounds attributed to biopolymers. An antibody microarray for detecting cyanobacteria (CYANOCHIP) detected biomarkers from Chroococcales, Nostocales, and Oscillatoriales orders. The results highlight limitations of each technique and suggest the necessity of complementary approaches in the search for biomarkers because some analytical techniques might be impaired by sample composition, presentation, or processing.

Dendritic biomimicry: microenvironmental hydrogen-bonding effects on tryptophan fluorescence.

PubMed

Koenig, S; Müller, L; Smith, D K

2001-03-02

Two series of dendritically modified tryptophan derivatives have been synthesised and their emission spectra measured in a range of different solvents. This paper presents the syntheses of these novel dendritic structures and discusses their emission spectra in terms of both solvent and dendritic effects. In the first series of dendrimers, the NH group of the indole ring is available for hydrogen bonding, whilst in the second series, the indole NH group has been converted to NMe. Direct comparison of the emission wavelengths of analogous NH and NMe derivatives indicates the importance of the Kamlet-Taft solvent beta3 parameter, which reflects the ability of the solvent to accept a hydrogen bond from the NH group, an effect not possible for the NMe series of dendrimers. For the NH dendrimers, the attachment of a dendritic shell to the tryptophan subunit leads to a red shift in emission wavelength. This dendritic effect only operates in non-hydrogen-bonding solvents. For the NMe dendrimers, however, the attachment of a dendritic shell has no effect on the emission spectra of the indole ring. This proves the importance of hydrogen bonding between the branched shell and the indole NH group in causing the dendritic effect. This is the first time a dendritic effect has been unambiguously assigned to individual hydrogen-bonding interactions and indicates that such intramolecular interactions are important in dendrimers, just as they are in proteins. Furthermore, this paper sheds light on the use of tryptophan residues as a probe of the microenvironment within proteins--in particular, it stresses the importance of hydrogen bonds formed by the indole NH group.

Comparison of spectra using a Bayesian approach. An argument using oil spills as an example.

PubMed

Li, Jianfeng; Hibbert, D Brynn; Fuller, Steven; Cattle, Julie; Pang Way, Christopher

2005-01-15

The problem of assigning a probability of matching a number of spectra is addressed. The context is in environmental spills when an EPA needs to show that the material from a polluting spill (e.g., oil) is likely to have originated at a particular site (factory, refinery) or from a vehicle (road tanker or ship). Samples are taken from the spill, and candidate sources and are analyzed by spectroscopy (IR, fluorescence) or chromatography (GC or GC/MS). A matching algorithm is applied to pairs of spectra giving a single statistic (R). This can be a point-to-point match giving a correlation coefficient or a Euclidean distance or a derivative of these parameters. The distributions of R for same and different samples are established from existing data. For matching statistics with values in the range {0,1} corresponding to no match (0) to a perfect match (1) a beta distribution can be fitted to most data. The values of R from the match of the spectrum of a spilled oil and of each of a number of suspects are calculated and Bayes' theorem is applied to give a probability of matches between spill sample and each candidate and the probability of no match at all. The method is most effective when simple inspection of the matching parameters does not lead to an obvious conclusion; i.e., there is overlap of the distributions giving rise to dubiety of an assignment. The probability of finding a matching statistic if there were a match to the probability of finding it if there were no match, expressed as a ratio (called the likelihood ratio), is a sensitive and useful parameter to guide the analyst. It is proposed that this approach may be acceptable to a court of law and avoid challenges of apparently subjective opinion of an analyst. Examples of matching the fluorescence and infrared spectra of diesel oils are given.

Modelling of the anti-neutrino production and spectra from a Magnox reactor

NASA Astrophysics Data System (ADS)

Mills, Robert W.; Mountford, David J.; Coleman, Jonathon P.; Metelko, Carl; Murdoch, Matthew; Schnellbach, Yan-Jie

2018-01-01

The anti-neutrino source properties of a fission reactor are governed by the production and beta decay of the radionuclides present and the summation of their individual anti-neutrino spectra. The fission product radionuclide production changes during reactor operation and different fissioning species give rise to different product distributions. It is thus possible to determine some details of reactor operation, such as power, from the anti-neutrino emission to confirm safeguards records. Also according to some published calculations, it may be feasible to observe different anti-neutrino spectra depending on the fissile contents of the reactor fuel and thus determine the reactor's fissile material inventory during operation which could considerable improve safeguards. In mid-2014 the University of Liverpool deployed a prototype anti-neutrino detector at the Wylfa R1 station in Anglesey, United Kingdom based upon plastic scintillator technology developed for the T2K project. The deployment was used to develop the detector electronics and software until the reactor was finally shutdown in December 2015. To support the development of this detector technology for reactor monitoring and to understand its capabilities, the National Nuclear Laboratory modelled this graphite moderated and natural uranium fuelled reactor with existing codes used to support Magnox reactor operations and waste management. The 3D multi-physics code PANTHER was used to determine the individual powers of each fuel element (8×6152) during the year and a half period of monitoring based upon reactor records. The WIMS/TRAIL/FISPIN code route was then used to determine the radionuclide inventory of each nuclide on a daily basis in each element. These nuclide inventories were then used with the BTSPEC code to determine the anti-neutrino spectra and source strength using JEFF-3.1.1 data. Finally the anti-neutrino source from the reactor for each day during the year and a half of monitored reactor operation was calculated. The results of the preliminary calculations are shown and limitations in the methods and data discussed.

Topical beta-carotene protects against infra-red-light-induced free radicals.

PubMed

Darvin, Maxim E; Fluhr, Joachim W; Meinke, Martina C; Zastrow, Leonhard; Sterry, Wolfram; Lademann, Juergen

2011-02-01

The influence of stress factors on human skin induces the production of free radicals. Free radicals react immediately with antioxidants contained in the skin, giving rise to their depletion and with the surrounding molecules, resulting in their damage, disorganization and even destruction. High amounts of free radicals are produced in the upper skin layers, i.e. mainly in the epidermis, subsequent to sun irradiation. Irradiation of the skin in the infra-red (IR) range of the spectra, applied at physiological doses, can produce free radicals. The magnitude of destruction of antioxidants, such as carotenoids, can serve as a marker of the extent of the stress factor, characterized by the quantity of produced free radicals. In this study, measurements on the degradation of cutaneous carotenoids following IR skin irradiation of 12 healthy volunteers (skin type II), with two IR sources (standard infrared radiator = SIR and water filter infrared = wIRA) were taken using resonance Raman spectroscopy. Topical application of the antioxidant beta-carotene (2 mg/cm(2) ) provided protection for the human skin when exposed to IR radiation. The magnitude of the degradation of dermal carotenoids after IR irradiation was significantly higher for SIR than for wIRA irradiation, for both non-treated and cream-treated skin areas. The amount of destroyed carotenoids after IR irradiation was higher in the case of pretreatment with beta-carotene than for the untreated skin, indicating that the superficial part of antioxidants is most important for protecting against external stressors. The direct comparison of beta-carotene content was significantly higher for the cream-treated compared to untreated areas for all pairs: baseline, wIRA, after wIRA, baseline SIR and after SIR. Additionally, topically applied carotenoids as a single antioxidant component are less stable than the carotenoids in the skin incorporated by nutrition and accumulated in a mixture with different antioxidant substances. Resonance Raman spectroscopy can be used for the non-invasive measurements of carotenoids, which can be rated as marker substances of redox processes. © 2011 John Wiley & Sons A/S.

A kinetic model for beta-amyloid adsorption at the air/solution interface and its implication to the beta-amyloid aggregation process.

PubMed

Jiang, Dianlu; Dinh, Kim Lien; Ruthenburg, Travis C; Zhang, Yi; Su, Lei; Land, Donald P; Zhou, Feimeng

2009-03-12

At the air/buffer solution interface the kinetics of adsorption of amyloid beta peptide, Abeta(1-42), whose bulk concentration (submicromolar) is more than 2 orders of magnitude lower than that typically used in other in vitro aggregation studies, has been studied using a Langmuir-Blodgett trough. The pressure-time curves exhibit a lag phase, wherein the surface pressure essentially remains at zero, and a rising phase, corresponding to the Abeta adsorption at the interface. The duration of the lag phase was found to be highly dependent on both the Abeta bulk concentration and the solution temperature. A large activation energy (62.2 +/- 4.1 KJ/mol) was determined and the apparent adsorption rate constant was found to be linearly dependent on the Abeta bulk concentration. Attenuated total reflection-IR spectra of the adsorbed Abeta transferred to a solid substrate and circular dichroism measurements of Abeta in the solution layer near the interface reveal that the natively unstructured Abeta in the bulk undergo a conformation change (folding) to mainly the alpha-helical structure. The results suggest that, prior to the adsorption step, an equilibrium between Abeta conformations is established within the subsurface. The kinetic equation derived from this model confirms that the overall Abeta adsorption is kinetically controlled and the apparent rate constant is proportional to the Abeta bulk concentration. This model also indicates that interfaces such as cell membranes and lipid bilayers may facilitate Abeta aggregation/ fibrillation by providing a thin hydrophobic layer adjacent to the interface for the initial A/beta conformation change (misfolding) and accumulation. Such a preconcentration effect offers a plausible explanation of the fact that Abeta fibrillation occurs in vivo at nanomolar concentrations. Another important biological implication from our work is that Abeta misfolding may occur before its adsorption onto a cell membrane. This general kinetic model should also find applications in adsorption studies of other types of biomolecules whose overall kinetics exhibits a lag phase that is dependent on the bulk concentration of the adsorbate.

Synthesis of plastic scintillation microspheres: Evaluation of scintillators

NASA Astrophysics Data System (ADS)

Santiago, L. M.; Bagán, H.; Tarancón, A.; Garcia, J. F.

2013-01-01

The use of plastic scintillation microspheres (PSm) appear to be an alternative to liquid scintillation for the quantification of alpha and beta emitters because it does not generate mixed wastes after the measurement (organic and radioactive). In addition to routine radionuclide determinations, PSm can be used for further applications, e.g. for usage in a continuous monitoring equipment, for measurements of samples with a high salt concentration and for an extractive scintillation support which permits the separation, pre-concentration and measurement of the radionuclides without additional steps of elution and sample preparation. However, only a few manufacturers provide PSm, and the low number of regular suppliers reduces its availability and restricts the compositions and sizes available. In this article, a synthesis method based on the extraction/evaporation methodology has been developed and successfully used for the synthesis of plastic scintillation microspheres. Seven different compositions of plastic scintillation microspheres have been synthesised; PSm1 with polystyrene, PSm2 with 2,5-Diphenyloxazol(PPO), PSm3 with p-terphenyl (pT), PSm4 with PPO and 1,4-bis(5-phenyloxazol-2-yl) (POPOP), PSm5 pT and (1,4-bis [2-methylstyryl] benzene) (Bis-MSB), PSm6 with PPO, POPOP and naphthalene and PSm7 with pT, Bis-MSB and naphthalene. The synthesised plastic scintillation microspheres have been characterised in terms of their morphology, detection capabilities and alpha/beta separation capacity. The microspheres had a median diameter of approximately 130 μm. Maximum detection efficiency values were obtained for the PSm4 composition as follows 1.18% for 3H, 51.2% for 14C, 180.6% for 90Sr/90Y and 76.7% for 241Am. Values of the SQP(E) parameter were approximately 790 for PSm4 and PSm5. These values show that the synthesised PSm exhibit good scintillation properties and that the spectra are at channel numbers higher than in commercial PSm. Finally, the addition of naphthalene modifies the shape of the pulses produced by alpha and beta particles leading to better alpha/beta separation.

Conformational response of the phosphatidylcholine headgroup to bilayer surface charge: torsion angle constraints from dipolar and quadrupolar couplings in bicelles.

PubMed

Semchyschyn, Darlene J; Macdonald, Peter M

2004-02-01

The effects of bilayer surface charge on the conformation of the phosphocholine group of phosphatidylcholine were investigated using a torsion angle analysis of quadrupolar and dipolar splittings in, respectively, (2)H and (13)C NMR spectra of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) labelled in the phosphocholine group with either deuterons (POPC-alpha-d(2), POPC-beta-d(2) and POPC-gamma-d(9)) or carbon-13 (POPC-alpha-(13)C and POPC-alphabeta-(13)C(2)) and incorporated into magnetically aligned bicelles containing various amounts of either the cationic amphiphile 1,2-dimyristoyl-3-trimethylammoniumpropane (DMTAP) or the anionic amphiphile 1,2-dimyristoyl-sn-glycero-3-phosphoglycerol (DMPG). Three sets of quadrupolar splittings, one from each of the three deuteron labelling positions, and three sets of dipolar splittings ((13)C(alpha)-(31)P, (13)C(alpha)-(13)C(beta), (13)C(beta)-(14)N), were measured at each surface charge, along with the (31)P residual chemical shift anisotropy. The torsion angle analysis assumed fast anisotropic rotation of POPC about its long molecular axis, thus projecting all NMR interactions onto that director axis of motion. Dipolar, quadrupolar and chemical shift anisotropies were calculated as a function of the phosphocholine internal torsion angles by first transforming into a common reference frame affixed to the phosphocholine group prior to motional averaging about the director axis. A comparison of experiment and calculation provided the two order parameters specifying the director orientation relative to the molecule, plus the torsion angles alpha(3), alpha(4) and alpha(5). Surface charge was found to have little effect on the torsion angle alpha(5) (rotations about C(alpha)-C(beta)), but to have large and inverse effects on torsion angles alpha(3) [rotations about P-O(11)] and alpha(4) [rotations about O(11)-C(alpha)], yielding a net upwards tilt of the P-N vector in the presence of cationic surface charge, and a downwards tilt in the presence of anionic surface charge, relative to neutrality. Copyright 2004 John Wiley & Sons, Ltd.

SU-F-BRD-16: Relative Biological Effectiveness of Double-Strand Break Induction for Modeling Cell Survival in Pristine Proton Beams of Different Dose-Averaged Linear Energy Transfers

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

Peeler, C; Bronk, L; UT Graduate School of Biomedical Sciences at Houston, Houston, TX

2015-06-15

Purpose: High throughput in vitro experiments assessing cell survival following proton radiation indicate that both the alpha and the beta parameters of the linear quadratic model increase with increasing proton linear energy transfer (LET). We investigated the relative biological effectiveness (RBE) of double-strand break (DSB) induction as a means of explaining the experimental results. Methods: Experiments were performed with two lung cancer cell lines and a range of proton LET values (0.94 – 19.4 keV/µm) using an experimental apparatus designed to irradiate cells in a 96 well plate such that each column encounters protons of different dose-averaged LET (LETd). Traditionalmore » linear quadratic survival curve fitting was performed, and alpha, beta, and RBE values obtained. Survival curves were also fit with a model incorporating RBE of DSB induction as the sole fit parameter. Fitted values of the RBE of DSB induction were then compared to values obtained using Monte Carlo Damage Simulation (MCDS) software and energy spectra calculated with Geant4. Other parameters including alpha, beta, and number of DSBs were compared to those obtained from traditional fitting. Results: Survival curve fitting with RBE of DSB induction yielded alpha and beta parameters that increase with proton LETd, which follows from the standard method of fitting; however, relying on a single fit parameter provided more consistent trends. The fitted values of RBE of DSB induction increased beyond what is predicted from MCDS data above proton LETd of approximately 10 keV/µm. Conclusion: In order to accurately model in vitro proton irradiation experiments performed with high throughput methods, the RBE of DSB induction must increase more rapidly than predicted by MCDS above LETd of 10 keV/µm. This can be explained by considering the increased complexity of DSBs or the nature of intra-track pairwise DSB interactions in this range of LETd values. NIH Grant 2U19CA021239-35.« less

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

Marketin, Tomislav, E-mail: marketin@phy.hr; Petković, Jelena; Paar, Nils

Heavy element nucleosynthesis models involve various properties of thousands of nuclei in order to simulate the intricate details of the process. By necessity, as most of these nuclei cannot be studied in a controlled environment, these models must rely on the nuclear structure models for input. Of all the properties, the beta-decay half-lives are one of the most important ones due to their direct impact on the resulting abundance distributions. In this study we present the results of a large-scale calculation based on the relativistic nuclear energy density functional, where both the allowed and the first-forbidden transitions are studied inmore » more than 5000 neutron-rich nuclei. Aside from the astrophysical applications, the results of this calculation can also be employed in the modeling of the electron and antineutrino spectra from nuclear reactors.« less

Detection system for a gas chromatograph. [. cap alpha. -methylnaphthalene,. beta. -methylnapthalene

DOEpatents

Hayes, J.M.; Small, G.J.

1982-04-26

A method and apparatus are described for the quantitative analysis of vaporizable compounds, and in particular of polycyclic aromatic hydrocarbons which may be induced to fluoresce. The sample to be analyzed is injected into a gas chromatography column and is eluted through a narrow orifice into a vacuum chamber. The free expansion of the eluted sample into the vacuum chamber creates a supersonic molecular beam in which the sample molecules are cooled to the extent that the excited vibrational and rotational levels are substantially depopulated. The cooled molecules, when induced to fluoresce by laser excitation, give greatly simplified spectra suitable for analytical purposes. The laser induced fluorimetry provides great selectivity, and the gas chromatograph provides quantitative transfer of the sample to the molecular beam. 3 figures, 2 tables.

Metabolism of thymol and trans-anethole in larvae of Spodoptera litura and Trichoplusia ni (Lepidoptera: Noctuidae).

PubMed

Passreiter, Claus M; Wilson, Joanne; Andersen, Raymond; Isman, Murray B

2004-05-05

Metabolism of the monoterpenoid thymol and the phenylpropanoid trans-anethole, both constituents of essential oils, was investigated following topical and oral administration of the compounds to the tobacco cutworm (Spodoptera litura) and the cabbage looper (Trichoplusia ni). In both species and irrespective of route, administration of thymol resulted in the excretion of its 3-O-beta-glucoside, whereas trans-anethole was hydroxylated on the side chain methyl group. Both metabolites were isolated and their structures elucidated by interpretation of their mass and NMR spectra. Previous experiments indicated that trans-anethole synergized the toxicity of thymol in S. litura, but analyses of feces indicated that metabolism of thymol was not significantly suppressed when the two compounds were orally coadministered to T. ni larvae.

[Gas chromatographic/mass spectrometric analysis of boldenone urinary metabolites in man].

PubMed

Zhang, J; Liu, C S; Zhou, T H

1991-01-01

The metabolism of boldenone (17 beta-hydroxy-1,4-androstem-3-one) in man has been investigated by gas chromatography/mass spectrometry. After oral administration of a 20 mg dose to man, six metabolites were detected in the conjugated fraction of the urinary samples. Boldenone, the major compound excreted in urine, was detected within 34 h after administration. In addition, several metabolites, resulting from the hydroxylation of boldenone and the reduction of the unsaturated carbon bonds of boldenone, were detected in the urine samples varying from 9 to 83 h. Extraction and fractionation of these metabolites were achieved by using XAD-2 column and gas chromatography. The recovery of the whole procedure was studied. Furthermore, the mass spectra of the metabolites are presented and major fragment pathways are discussed.

Reactor-Produced Medical Radionuclides

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

Mirzadeh, Saed; Mausner, Leonard; Garland, Marc A

2011-01-01

The therapeutic use of radionuclides in nuclear medicine, oncology and cardiology is the most rapidly growing use of medical radionuclides. Since most therapeutic radionuclides are neutron rich and decay by beta emission, they are reactor-produced. This chapter deals mainly with production approaches with neutrons. Neutron interactions with matter, neutron transmission and activation rates, and neutron spectra of nuclear reactors are discussed in some detail. Further, a short discussion of the neutron-energy dependence of cross sections, reaction rates in thermal reactors, cross section measurements and flux monitoring, and general equations governing the reactor production of radionuclides are presented. Finally, the chaptermore » is concluded by providing a number of examples encompassing the various possible reaction routes for production of a number of medical radionuclides in a reactor.« less

Synthesis and RNA polymerase incorporation of the degenerate ribonucleotide analogue rPTP.

PubMed Central

Moriyama, K; Negishi, K; Briggs, M S; Smith, C L; Hill, F; Churcher, M J; Brown, D M; Loakes, D

1998-01-01

The synthesis and enzymatic incorporation into RNA of the hydrogen bond degenerate nucleoside analogue 6-(beta-d-ribofuranosyl)-3, 4-dihydro-8H-pyrimido[4,5-c]-[1,2]oxazin-7-one (P) is described. The 5'-triphosphate of this analogue is readily incorporated by T3, T7 and SP6 RNA polymerases into RNA transcripts, being best incorporated in place of UTP, but also in place of CTP. When all the uridine residues in an HIV-1 TAR RNA transcript are replaced by P the transcript has similar characteristics to the wild-type TAR RNA, as demonstrated by similar melting temperatures and CD spectra. The P-substituted TAR transcript binds to the Tat peptide ADP-1 with only 4-fold lowered efficiency compared with wild-type TAR. PMID:9547267

Synthesis and RNA polymerase incorporation of the degenerate ribonucleotide analogue rPTP.

PubMed

Moriyama, K; Negishi, K; Briggs, M S; Smith, C L; Hill, F; Churcher, M J; Brown, D M; Loakes, D

1998-05-01

The synthesis and enzymatic incorporation into RNA of the hydrogen bond degenerate nucleoside analogue 6-(beta-d-ribofuranosyl)-3, 4-dihydro-8H-pyrimido[4,5-c]-[1,2]oxazin-7-one (P) is described. The 5'-triphosphate of this analogue is readily incorporated by T3, T7 and SP6 RNA polymerases into RNA transcripts, being best incorporated in place of UTP, but also in place of CTP. When all the uridine residues in an HIV-1 TAR RNA transcript are replaced by P the transcript has similar characteristics to the wild-type TAR RNA, as demonstrated by similar melting temperatures and CD spectra. The P-substituted TAR transcript binds to the Tat peptide ADP-1 with only 4-fold lowered efficiency compared with wild-type TAR.

Off-line real-time FTIR analysis of a process step in imipenem production

NASA Astrophysics Data System (ADS)

Boaz, Jhansi R.; Thomas, Scott M.; Meyerhoffer, Steven M.; Staskiewicz, Steven J.; Lynch, Joseph E.; Egan, Richard S.; Ellison, Dean K.

1992-08-01

We have developed an FT-IR method, using a Spectra-Tech Monit-IR 400 systems, to monitor off-line the completion of a reaction in real-time. The reaction is moisture-sensitive and analysis by more conventional methods (normal-phase HPLC) is difficult to reproduce. The FT-IR method is based on the shift of a diazo band when a conjugated beta-diketone is transformed into a silyl enol ether during the reaction. The reaction mixture is examined directly by IR and does not require sample workup. Data acquisition time is less than one minute. The method has been validated for specificity, precision and accuracy. The results obtained by the FT-IR method for known mixtures and in-process samples compare favorably with those from a normal-phase HPLC method.

Lithium Ion Batteries Used for Nuclear Forensics

NASA Astrophysics Data System (ADS)

Johnson, Erik B.; Stapels, Christopher J.; Chen, X. Jie; Whitney, Chad; Holbert, Keith E.; Christian, James F.

2013-10-01

Nuclear forensics includes the study of materials used for the attribution a nuclear event. Analysis of the nuclear reaction products resulting both from the weapon and the material in the vicinity of the event provides data needed to identify the source of the nuclear material and the weapon design. The spectral information of the neutrons produced by the event provides information on the weapon configuration. The lithium battery provides a unique platform for nuclear forensics, as the Li-6 content is highly sensitive to neutrons, while the battery construction consists of various layers of materials. Each of these materials represents an element for a threshold detector scheme, where isotopes are produced in the battery components through various nuclear reactions that require a neutron energy above a fundamental threshold energy. This study looks into means for extracting neutron spectral information by understanding the isotopic concentration prior to and after exposure. The radioisotopes decay through gamma and beta emission, and radiation spectrometers have been used to measure the radiation spectra from the neutron exposed batteries. The batteries were exposed to various known neutron fields, and analysis was conducted to reconstruct the incident neutron spectra. This project is supported by the Defense Threat Reduction Agency, grant number HDTRA1-11-1-0028.

A prototype detection system for atmospheric monitoring of xenon radioisotopes

NASA Astrophysics Data System (ADS)

Czyz, Steven A.; Farsoni, Abi T.; Ranjbar, Lily

2018-03-01

The design of a radioxenon detection system utilizing a CdZeTe crystal and a plastic scintillator coupled to an array of SiPMs to conduct beta-gamma coincidence detection for atmospheric radioxenon monitoring, as well as the measurement of 135Xe and 133/133mXe, have been detailed previously. This paper presents recent measurements of 133/133mXe and 131mXe and the observation of conversion electrons in their coincidence spectra, as well as a 48-hour background measurement to calculate the Minimum Detectable Concentration (MDC) of radioxenon isotopes in the system. The identification of Regions of Interest (ROIs) in the coincidence spectra yielded from the radioxenon measurements, and the subsequent calculation of the MDCs of the system for 135Xe, 133/133mXe, and 131mXe, are also discussed. Calculated MDCs show that the detection system preforms respectably when compared to other state of the art radioxenon detection systems and achieved an MDC of less than 1 mBq/m3 for 131mXe, 133Xe, and 133mXe, in accordance with limits set by the Comprehensive Nuclear-Test-Ban Treaty (CTBTO). The system also provides the advantage of room temperature operation, compactness, low noise operation and having simple readout electronics.

The Algorithm for MODIS Wavelength On-Orbit Calibration Using the SRCA

NASA Technical Reports Server (NTRS)

Montgomery, Harry; Che, Nianzeng; Parker, Kirsten; Bowser, Jeff

1998-01-01

The Spectro-Radiometric Calibration Assembly (SRCA) provides on-orbit spectral calibration of the MODerate resolution Imaging Spectroradiometer (MODIS) reflected solar bands and this paper describes how it is accomplished. The SRCA has two adjacent exit slits: 1) Main slit and 2) Calibration slit. The output from the main slit is measured by a reference silicon photo-diode (SIPD) and then passes through the MODIS. The output from the calibration slit passes through a piece of didymium transmission glass and then it is measured by a calibration SIPD. The centroids of the sharp spectral peaks of a didymium glass are utilized as wavelength standards. After normalization using the reference SIPD signal to eliminate the effects of the illuminating source spectra, the calibration SIPD establishes the relationship between the peaks of the didymium spectra and the grating angle; this is accomplished through the grating equation. In the grating equation the monochromator parameters, Beta (half angle between the incident and diffractive beams) and Theta(sub off) (offset angle of the grating motor) are determined by matching, in a least square sense, the known centroid wavelengths of the didymium peaks and the calculated centroid grating angles from the calibration SIPD signals for the peaks. A displacement between the calibration SIPD and the reference SIPD complicates the signal processing.

EEG Mu (µ) rhythm spectra and oscillatory activity differentiate stuttering from non-stuttering adults.

PubMed

Saltuklaroglu, Tim; Harkrider, Ashley W; Thornton, David; Jenson, David; Kittilstved, Tiffani

2017-06-01

Stuttering is linked to sensorimotor deficits related to internal modeling mechanisms. This study compared spectral power and oscillatory activity of EEG mu (μ) rhythms between persons who stutter (PWS) and controls in listening and auditory discrimination tasks. EEG data were analyzed from passive listening in noise and accurate (same/different) discrimination of tones or syllables in quiet and noisy backgrounds. Independent component analysis identified left and/or right μ rhythms with characteristic alpha (α) and beta (β) peaks localized to premotor/motor regions in 23 of 27 people who stutter (PWS) and 24 of 27 controls. PWS produced μ spectra with reduced β amplitudes across conditions, suggesting reduced forward modeling capacity. Group time-frequency differences were associated with noisy conditions only. PWS showed increased μ-β desynchronization when listening to noise and early in discrimination events, suggesting evidence of heightened motor activity that might be related to forward modeling deficits. PWS also showed reduced μ-α synchronization in discrimination conditions, indicating reduced sensory gating. Together these findings indicate spectral and oscillatory analyses of μ rhythms are sensitive to stuttering. More specifically, they can reveal stuttering-related sensorimotor processing differences in listening and auditory discrimination that also may be influenced by basal ganglia deficits. Copyright © 2017 Elsevier Inc. All rights reserved.

Coral Pigments: Quantification Using HPLC and Detection by Remote Sensing

NASA Technical Reports Server (NTRS)

Cottone, Mary C.

1995-01-01

Widespread coral bleaching (loss of pigments of symbiotic dinoflagellates), and the corresponding decline in coral reef health worldwide, mandates the monitoring of coral pigmentation. Samples of the corals Porites compressa and P. lobata were collected from a healthy reef at Puako, Hawaii, and chlorophyll (chl) a, peridinin, and Beta-carotene (Beta-car) were quantified using reverse-phase high performance liquid chromatography (HPLC). Detailed procedures are presented for the extraction of the coral pigments in 90% acetone, and the separation, identification, and quantification of the major zooxanthellar pigments using spectrophotometry and a modification of the HPLC system described by Mantoura and Llewellyn (1983). Beta-apo-8-carotenal was found to be inadequate as in internal standard, due to coelution with chl b and/or chl a allomer in the sample extracts. Improvements are suggested, which may result in better resolution of the major pigments and greater accuracy in quantification. Average concentrations of peridinin, chl a, and Beta-car in corals on the reef were 5.01, 8.59, and 0.29, micro-grams/cm(exp 2), respectively. Average concentrations of peridinin and Beta-car did not differ significantly between the two coral species sampled; however, the mean chl a concentration in P. compressa specimens (7.81 ,micro-grams/cm(exp 2) was significantly lower than that in P. lobata specimens (9.96 11g/cm2). Chl a concentrations determined spectrophotometrically were significantly higher than those generated through HPLC, suggesting that spectrophotometry overestimates chl a concentrations. The average ratio of chl a-to-peridinin concentrations was 1.90, with a large (53%) coefficient of variation and a significant difference between the two species sampled. Additional data are needed before conclusions can be drawn regarding average pigment concentrations in healthy corals and the consistency of the chl a/peridinin ratio. The HPLC pigment concentration values contribute to the limited database of pigment concentrations in healthy corals, from which quantitative definitions of 'healthy' vs. 'bleached' coral may emerge. They also serve as ground-truth, corresponding to fluorescence data collected from the reef at Puako using airborne remote sensing of laser induced fluorescence. Fluorescence spectra from several overflights using the NASA AOL (airborne oceanographic lidar) system show consistent chlorphyll fluorescence peaks around 685 nm, as well as consistence peaks in the 400-600 nm range which may emanate from granules in the coral tissue. These data, along with results from previous studies of coral fluorescence, suggest that remote sensing of laser-induced fluorescence may become a rapid and efficient means of monitoring coral pigmentation and coral reef bleaching.

The distinct spectra of tumor-associated Apc mutations in mismatch repair-deficient Apc1638N mice define the roles of MSH3 and MSH6 in DNA repair and intestinal tumorigenesis.

PubMed

Kuraguchi, M; Yang, K; Wong, E; Avdievich, E; Fan, K; Kolodner, R D; Lipkin, M; Brown, A M; Kucherlapati, R; Edelmann, W

2001-11-01

In mammalian cells, mismatch recognition has been attributed to two partially redundant heterodimeric protein complexes of MutS homologues, MSH2-MSH3 and MSH2-MSH6. We have conducted a comparative analysis of Msh3 and Msh6 deficiency in mouse intestinal tumorigenesis by generating Apc1638N mice deficient in Msh3, Msh6 or both. We have found that Apc1638N mice defective in Msh6 show reduced survival and a 6-7-fold increase in intestinal tumor multiplicity. In contrast, Msh3-deficient Apc1638N mice showed no difference in survival and intestinal tumor multiplicity as compared with Apc1638N mice. However, when Msh3 deficiency is combined with Msh6 deficiency (Msh3(-/-)Msh6(-/-)Apc1638N), the survival rate of the mice was further reduced compared to Msh6(-/-)Apc(1638N) mice because of a high multiplicity of intestinal tumors at a younger age. Almost 90% of the intestinal tumors from both Msh6(-/-)Apc1638N and Msh3(-/-)Msh6(-/-)Apc1638N mice contained truncation mutations in the wild-type Apc allele. Apc mutations in Msh6(-/-)Apc1638N mice consisted predominantly of base substitutions (93%) creating stop codons, consistent with a major role for Msh6 in the repair of base-base mismatches. However, in Msh3(-/-)Msh6(-/-)Apc1638N tumors, we observed a mixture of base substitutions (46%) and frameshifts (54%), indicating that in Msh6(-/-)Apc1638N mice frameshift mutations in the Apc gene were suppressed by Msh3. Interestingly, all except one of the Apc mutations detected in mismatch repair-deficient intestinal tumors were located upstream of the third 20-amino acid beta-catenin binding repeat and before all of the Ser-Ala-Met-Pro repeats, suggesting that there is selection for loss of multiple domains involved in beta-catenin regulation. Our analysis therefore has revealed distinct mutational spectra and clarified the roles of Msh3 and Msh6 in DNA repair and intestinal tumorigenesis.

Anatomical background and generalized detectability in tomosynthesis and cone-beam CT.

PubMed

Gang, G J; Tward, D J; Lee, J; Siewerdsen, J H

2010-05-01

Anatomical background presents a major impediment to detectability in 2D radiography as well as 3D tomosynthesis and cone-beam CT (CBCT). This article incorporates theoretical and experimental analysis of anatomical background "noise" in cascaded systems analysis of 2D and 3D imaging performance to yield "generalized" metrics of noise-equivalent quanta (NEQ) and detectability index as a function of the orbital extent of the (circular arc) source-detector orbit. A physical phantom was designed based on principles of fractal self-similarity to exhibit power-law spectral density (kappa/Fbeta) comparable to various anatomical sites (e.g., breast and lung). Background power spectra [S(B)(F)] were computed as a function of source-detector orbital extent, including tomosynthesis (approximately 10 degrees -180 degrees) and CBCT (180 degrees + fan to 360 degrees) under two acquisition schemes: (1) Constant angular separation between projections (variable dose) and (2) constant total number of projections (constant dose). The resulting S(B) was incorporated in the generalized NEQ, and detectability index was computed from 3D cascaded systems analysis for a variety of imaging tasks. The phantom yielded power-law spectra within the expected spatial frequency range, quantifying the dependence of clutter magnitude (kappa) and correlation (beta) with increasing tomosynthesis angle. Incorporation of S(B) in the 3D NEQ provided a useful framework for analyzing the tradeoffs among anatomical, quantum, and electronic noise with dose and orbital extent. Distinct implications are posed for breast and chest tomosynthesis imaging system design-applications varying significantly in kappa and beta, and imaging task and, therefore, in optimal selection of orbital extent, number of projections, and dose. For example, low-frequency tasks (e.g., soft-tissue masses or nodules) tend to benefit from larger orbital extent and more fully 3D tomographic imaging, whereas high-frequency tasks (e.g., microcalcifications) require careful, application-specific selection of orbital extent and number of projections to minimize negative effects of quantum and electronic noise. The complex tradeoffs among anatomical background, quantum noise, and electronic noise in projection imaging, tomosynthesis, and CBCT can be described by generalized cascaded systems analysis, providing a useful framework for system design and optimization.

Monte Carlo Calculation of Thermal Neutron Inelastic Scattering Cross Section Uncertainties by Sampling Perturbed Phonon Spectra

NASA Astrophysics Data System (ADS)

Holmes, Jesse Curtis

Nuclear data libraries provide fundamental reaction information required by nuclear system simulation codes. The inclusion of data covariances in these libraries allows the user to assess uncertainties in system response parameters as a function of uncertainties in the nuclear data. Formats and procedures are currently established for representing covariances for various types of reaction data in ENDF libraries. This covariance data is typically generated utilizing experimental measurements and empirical models, consistent with the method of parent data production. However, ENDF File 7 thermal neutron scattering library data is, by convention, produced theoretically through fundamental scattering physics model calculations. Currently, there is no published covariance data for ENDF File 7 thermal libraries. Furthermore, no accepted methodology exists for quantifying or representing uncertainty information associated with this thermal library data. The quality of thermal neutron inelastic scattering cross section data can be of high importance in reactor analysis and criticality safety applications. These cross sections depend on the material's structure and dynamics. The double-differential scattering law, S(alpha, beta), tabulated in ENDF File 7 libraries contains this information. For crystalline solids, S(alpha, beta) is primarily a function of the material's phonon density of states (DOS). Published ENDF File 7 libraries are commonly produced by calculation and processing codes, such as the LEAPR module of NJOY, which utilize the phonon DOS as the fundamental input for inelastic scattering calculations to directly output an S(alpha, beta) matrix. To determine covariances for the S(alpha, beta) data generated by this process, information about uncertainties in the DOS is required. The phonon DOS may be viewed as a probability density function of atomic vibrational energy states that exist in a material. Probable variation in the shape of this spectrum may be established that depends on uncertainties in the physics models and methodology employed to produce the DOS. Through Monte Carlo sampling of perturbations from the reference phonon spectrum, an S(alpha, beta) covariance matrix may be generated. In this work, density functional theory and lattice dynamics in the harmonic approximation are used to calculate the phonon DOS for hexagonal crystalline graphite. This form of graphite is used as an example material for the purpose of demonstrating procedures for analyzing, calculating and processing thermal neutron inelastic scattering uncertainty information. Several sources of uncertainty in thermal neutron inelastic scattering calculations are examined, including sources which cannot be directly characterized through a description of the phonon DOS uncertainty, and their impacts are evaluated. Covariances for hexagonal crystalline graphite S(alpha, beta) data are quantified by coupling the standard methodology of LEAPR with a Monte Carlo sampling process. The mechanics of efficiently representing and processing this covariance information is also examined. Finally, with appropriate sensitivity information, it is shown that an S(alpha, beta) covariance matrix can be propagated to generate covariance data for integrated cross sections, secondary energy distributions, and coupled energy-angle distributions. This approach enables a complete description of thermal neutron inelastic scattering cross section uncertainties which may be employed to improve the simulation of nuclear systems.

[A turning point in the knowledge of the structure-function-activity relations of elastin].

PubMed

Alix, A J

2001-01-01

In this review are presented the last new results of our research group dealing with the molecular structures (atomic level) of tropoelastin, elastin and elastin derived peptides studied by using essentially methods of bioinformatics (theoretical predictions and molecular modelling) linked to experimental circular dichroism spectroscopic studies. We already had characterized both the local secondary structure and some parts of the tertiary structure of the tropoelastin and elastin molecules (human, bovine...), by using either theoretical predictions (local secondary structure, linear epitopes...) and/or experimental data (optical spectroscopic methods: Raman scattering, infrared absorption, circular dichroism). Except the cross-linking regions which are in helical conformations, the whole tropoelastin structure displays a lot of beta-reverse turns which usually belong to irregular structures in proteins. These turns play a key role in other regularly structures orientation (alpha-helix, beta-strand), thus they are very important in the native protein 3D architecture. It is particularly true for human tropoelastin, because its sequence is rich in glycines and prolines, and these residues are frequently met in beta-turns (a beta-turn is made of four consecutive residues which are stabilized by an hydrogen bond). Several types of beta-turns can be defined with the dihedral angles values phi and psi of the two central residues. Thus, by using a very recent updated set of propensities for the amino acid residues to belong to given types of reverse beta-turns (extracted from a reference set of known 3-D structures of globular proteins), we have determined, (by using our home made software COUDES), for all possible tetrapeptides of the human tropoelastin sequence, the distribution and the characterization of the possible type of turns. Thus, it is shown that the locations and/or the types of these reverse beta-turns reveal a regularity and are not all random. This confirms our hypothesis that intra-molecular elasticity of tropoelastin could be explained by the possibility of transitions between conformations involving short beta-strands and beta-turns. This result is of great interest in the construction (by using molecular biology) of elastic biomaterials derived from the elastin sequence (particularly, the elastin derived peptides corresponding to the sequence exon 21--(exon 24--exon 24...). Our study permit also to predict the conformations of specific elastin derived peptides which could have interesting biological activity. Peptides resulting from the degradation of elastin, the insoluble polymer of tropoelastin and responsible for the elasticity of vertebrate tissues, can induce biological effects and notably the regulation of matrix metalloproteinases (MMP-s) activity. Recently, it was proposed that some elastin derived hexapeptides resulting from circular permutations of VGVAPG (a three fold repetition sequence in exon 24 of human tropoelastin) possess MMP-1 production and activation regulation properties. This effect depends on the presence of the tropoelastin specific membraneous receptor 67 KDa EBP (Elastin Binding Protein). Our results obtained by using both circular dichroism spectroscopy and linear predictions confirmed the hypothesis of a structure dependent mechanism with a possibly occurring type VIII beta-turn on the first four residues of the GXXPG sequence consensus which is only present among all active peptides. Thus, we have performed extensive molecular dynamics studies, in both implicit and explicit solvent, on these active and inactive elastin derived hexapeptides. Using our own analysis method of pattern recognition of the types of the beta-reverse-turns followed during the molecular dynamics trajectory, we found that active and inactive peptides effectively form two well distinct conformational groups in which active peptides preferentially adopt conformation close to type VIII GXXP (beta-reverse-turn. The structural role of the C terminal G residue could also be explained. Additional molecular simulations on (VGVAPG)2 and (VGVAPG)3 show the formation of two or three GXXP tetrapeptides adopting a structure close to type VIII beta-reverse-turn, suggesting a local conformational preference for this motif. This observation of a specific structural single and/or repeated motif is in agreement with the circular dichroism spectra of the involved (VGVAPG)1, (VGVAPG)2 and (VGVAPG)3 peptides and then it can be proposed that their biological activities have to be linear. The final aim of this type of work is to understand more about the sequence/structure/function/activity relationships of those structured peptides in order to propose specific sequences (corresponding to specific structures) for best biological activity results.

Monitoring driver fatigue using a single-channel electroencephalographic device: A validation study by gaze-based, driving performance, and subjective data.

PubMed

Morales, José M; Díaz-Piedra, Carolina; Rieiro, Héctor; Roca-González, Joaquín; Romero, Samuel; Catena, Andrés; Fuentes, Luis J; Di Stasi, Leandro L

2017-12-01

Driver fatigue can impair performance as much as alcohol does. It is the most important road safety concern, causing thousands of accidents and fatalities every year. Thanks to technological developments, wearable, single-channel EEG devices are now getting considerable attention as fatigue monitors, as they could help drivers to assess their own levels of fatigue and, therefore, prevent the deterioration of performance. However, the few studies that have used single-channel EEG devices to investigate the physiological effects of driver fatigue have had inconsistent results, and the question of whether we can monitor driver fatigue reliably with these EEG devices remains open. Here, we assessed the validity of a single-channel EEG device (TGAM-based chip) to monitor changes in mental state (from alertness to fatigue). Fifteen drivers performed a 2-h simulated driving task while we recorded, simultaneously, their prefrontal brain activity and saccadic velocity. We used saccadic velocity as the reference index of fatigue. We also collected subjective ratings of alertness and fatigue, as well as driving performance. We found that the power spectra of the delta EEG band showed an inverted U-shaped quadratic trend (EEG power spectra increased for the first hour and half, and decreased during the last thirty minutes), while the power spectra of the beta band linearly increased as the driving session progressed. Coherently, saccadic velocity linearly decreased and speeding time increased, suggesting a clear effect of fatigue. Subjective data corroborated these conclusions. Overall, our results suggest that the TGAM-based chip EEG device is able to detect changes in mental state while performing a complex and dynamic everyday task as driving. Copyright © 2017 Elsevier Ltd. All rights reserved.

Critical Assessment of Analytical Techniques in the Search for Biomarkers on Mars: A Mummified Microbial Mat from Antarctica as a Best-Case Scenario

PubMed Central

Blanco, Yolanda; Gallardo-Carreño, Ignacio; Ruiz-Bermejo, Marta; Puente-Sánchez, Fernando; Cavalcante-Silva, Erika; Quesada, Antonio; Prieto-Ballesteros, Olga

2017-01-01

Abstract The search for biomarkers of present or past life is one of the major challenges for in situ planetary exploration. Multiple constraints limit the performance and sensitivity of remote in situ instrumentation. In addition, the structure, chemical, and mineralogical composition of the sample may complicate the analysis and interpretation of the results. The aim of this work is to highlight the main constraints, performance, and complementarity of several techniques that have already been implemented or are planned to be implemented on Mars for detection of organic and molecular biomarkers on a best-case sample scenario. We analyzed a 1000-year-old desiccated and mummified microbial mat from Antarctica by Raman and IR (infrared) spectroscopies (near- and mid-IR), thermogravimetry (TG), differential thermal analysis, mass spectrometry (MS), and immunological detection with a life detector chip. In spite of the high organic content (ca. 20% wt/wt) of the sample, the Raman spectra only showed the characteristic spectral peaks of the remaining beta-carotene biomarker and faint peaks of phyllosilicates over a strong fluorescence background. IR spectra complemented the mineralogical information from Raman spectra and showed the main molecular vibrations of the humic acid functional groups. The TG-MS system showed the release of several volatile compounds attributed to biopolymers. An antibody microarray for detecting cyanobacteria (CYANOCHIP) detected biomarkers from Chroococcales, Nostocales, and Oscillatoriales orders. The results highlight limitations of each technique and suggest the necessity of complementary approaches in the search for biomarkers because some analytical techniques might be impaired by sample composition, presentation, or processing. Key Words: Planetary exploration—Life detection—Microbial mat—Life detector chip—Thermogravimetry—Raman spectroscopy—NIR—DRIFTS. Astrobiology 17, 984–996. PMID:29016195

Critical Assessment of Analytical Techniques in the Search for Biomarkers on Mars: A Mummified Microbial Mat from Antarctica as a Best-Case Scenario.

PubMed

Blanco, Yolanda; Gallardo-Carreño, Ignacio; Ruiz-Bermejo, Marta; Puente-Sánchez, Fernando; Cavalcante-Silva, Erika; Quesada, Antonio; Prieto-Ballesteros, Olga; Parro, Víctor

2017-10-01

The search for biomarkers of present or past life is one of the major challenges for in situ planetary exploration. Multiple constraints limit the performance and sensitivity of remote in situ instrumentation. In addition, the structure, chemical, and mineralogical composition of the sample may complicate the analysis and interpretation of the results. The aim of this work is to highlight the main constraints, performance, and complementarity of several techniques that have already been implemented or are planned to be implemented on Mars for detection of organic and molecular biomarkers on a best-case sample scenario. We analyzed a 1000-year-old desiccated and mummified microbial mat from Antarctica by Raman and IR (infrared) spectroscopies (near- and mid-IR), thermogravimetry (TG), differential thermal analysis, mass spectrometry (MS), and immunological detection with a life detector chip. In spite of the high organic content (ca. 20% wt/wt) of the sample, the Raman spectra only showed the characteristic spectral peaks of the remaining beta-carotene biomarker and faint peaks of phyllosilicates over a strong fluorescence background. IR spectra complemented the mineralogical information from Raman spectra and showed the main molecular vibrations of the humic acid functional groups. The TG-MS system showed the release of several volatile compounds attributed to biopolymers. An antibody microarray for detecting cyanobacteria (CYANOCHIP) detected biomarkers from Chroococcales, Nostocales, and Oscillatoriales orders. The results highlight limitations of each technique and suggest the necessity of complementary approaches in the search for biomarkers because some analytical techniques might be impaired by sample composition, presentation, or processing. Key Words: Planetary exploration-Life detection-Microbial mat-Life detector chip-Thermogravimetry-Raman spectroscopy-NIR-DRIFTS. Astrobiology 17, 984-996.

Rounded stretched exponential for time relaxation functions.

PubMed

Powles, J G; Heyes, D M; Rickayzen, G; Evans, W A B

2009-12-07

A rounded stretched exponential function is introduced, C(t)=exp{(tau(0)/tau(E))(beta)[1-(1+(t/tau(0))(2))(beta/2)]}, where t is time, and tau(0) and tau(E) are two relaxation times. This expression can be used to represent the relaxation function of many real dynamical processes, as at long times, t>tau(0), the function converges to a stretched exponential with normalizing relaxation time, tau(E), yet its expansion is even or symmetric in time, which is a statistical mechanical requirement. This expression fits well the shear stress relaxation function for model soft soft-sphere fluids near coexistence, with tau(E)

Application of high-resolution, two-dimensional 1H and 13C nuclear magnetic resonance techniques to the characterization of lipid oxidation products in autoxidized linoleoyl/linolenoylglycerols.

PubMed

Silwood, C J; Grootveld, M

1999-07-01

Subjection of polyunsaturated fatty acid (PUFA)-rich culinary oils to standard frying episodes generates a range of lipid oxidation products (LOP), including saturated and alpha,beta-unsaturated aldehydes which arise from the thermally induced fragmentation of conjugated hydroperoxydiene precursors. Since such LOP are damaging to human health, we have employed high-resolution, two-dimensional 1H-1H relayed coherence transfer, 1H-1H total correlation, 1H-13C heteronuclear multiple quantum correlation, and 1H-1H J-resolved nuclear magnetic resonance (NMR) spectroscopic techniques to further elucidate the molecular structures of these components present in (i) a model linoleoylglycerol compound (1,3-dilinolein) allowed to autoxidize at ambient temperature and (ii) PUFA-rich culinary oils subjected to repeated frying episodes. The above techniques readily facilitate the resolution of selected vinylic and aldehydic resonances of LOP which appear as complex overlapping patterns in conventional one-dimensional spectra, particularly when employed in combination with solvent-induced spectral shift modifications. Hence, much useful multi-component information regarding the identity and/or classification of glycerol-bound conjugated hydroperoxydiene and hydroxydiene adducts, and saturated and alpha,beta-unsaturated aldehydes, present in autoxidized PUFA matrices is provided by these NMR methods. Such molecular information is of much value to researchers investigating the deleterious health effects of LOP available in the diet.

Predictability of depression severity based on posterior alpha oscillations.

PubMed

Jiang, H; Popov, T; Jylänki, P; Bi, K; Yao, Z; Lu, Q; Jensen, O; van Gerven, M A J

2016-04-01

We aimed to integrate neural data and an advanced machine learning technique to predict individual major depressive disorder (MDD) patient severity. MEG data was acquired from 22 MDD patients and 22 healthy controls (HC) resting awake with eyes closed. Individual power spectra were calculated by a Fourier transform. Sources were reconstructed via beamforming technique. Bayesian linear regression was applied to predict depression severity based on the spatial distribution of oscillatory power. In MDD patients, decreased theta (4-8 Hz) and alpha (8-14 Hz) power was observed in fronto-central and posterior areas respectively, whereas increased beta (14-30 Hz) power was observed in fronto-central regions. In particular, posterior alpha power was negatively related to depression severity. The Bayesian linear regression model showed significant depression severity prediction performance based on the spatial distribution of both alpha (r=0.68, p=0.0005) and beta power (r=0.56, p=0.007) respectively. Our findings point to a specific alteration of oscillatory brain activity in MDD patients during rest as characterized from MEG data in terms of spectral and spatial distribution. The proposed model yielded a quantitative and objective estimation for the depression severity, which in turn has a potential for diagnosis and monitoring of the recovery process. Copyright © 2016 International Federation of Clinical Neurophysiology. Published by Elsevier Ireland Ltd. All rights reserved.

[Study of the interaction mechanism between brodifacoum and DNA by spectroscopy].

PubMed

Duan, Yun-qing; Min, Shun-geng

2009-04-01

The interaction between brodifacoum (3-[3-(4'-bromophenyl-4) 1,2,3,4-tetralin-10]-4-hydroxyl-coumarin) (BDF), an anticoagulant rodenticide, and calf thymus DNA (ct-DNA) was studied by UV spectrum and fluorescence spectrum. The results were summarized as follows: There was a hypochromic effect of low concentration ct-DNA on the UV spectra. The fluorescence quenching studies showed a regular decrease in the fluorescence intensity after addition of ct-DNA by the static quenching mode with a quenching constant (Ksv) of 1.21 x 10(4) L x mol(-1) at 27 degrees C. The BDF possibly bonded to ct-DNA mainly via Van der Waals forces by the corresponding thermodynamics parameter. KI quenching experiment found that there was not obvious protection of ct-DNA to BDF. The fluorescence intensity of BDF/ct-DNA system changed with the variation in ionic strength Quenching of ct-DNA on the fluorescence of BDF/beta-CD inclusion complex was reduced in contrast with the free BDF, which showed that beta-CD could provide BDF with protection. So the comprehensive interaction mode of BDF with ct-DNA may be the groove binding by the above results. It was indicated that there had been static-electro interaction between BDF and ct-DNA at the same time. The conjunct action of Van der Waals forces and electrostatic attraction favorably provide BDF bonding interaction in the groove of ct-DNA.

Characterization of proflavine metabolites in rainbow trout.

PubMed

Yu, Z; Hayton, W L; Chan, K K

1997-04-01

Proflavine (3,6-diaminoacridine) has potential for use as an antiinfective in fish, and its metabolism by rainbow trout was therefore studied. Fourteen hours after intraarterial bolus administration of 10 mg/kg of proflavine, three metabolites were found in liver and bile, and one metabolite was found in plasma using reversed-phase HPLC with UV detection at 262 nm. Treatment with hydrochloric acid converted the three metabolites to proflavine, which suggested that the metabolites were proflavine conjugates. Treatment with beta-glucuronidase and saccharic acid 1,4-lactone, a specific beta-glucuronidase inhibitor, revealed that two metabolites were proflavine glucuronides. For determination of UV-VIS absorption and mass spectra, HPLC-purified metabolites were isolated from liver. Data from these experiments suggested that the proflavine metabolites were 3-N-glucuronosyl proflavine (PG), 3-N-glucuronosyl,6-N-acetyl proflavine (APG), and 3-N-acetylproflavine (AP). The identities of the metabolites were verified by chemical synthesis. When synthetic PG and AP were compared with the two metabolites isolated from trout, they had the same molecular weight as determined by matrix-assisted, laser desorption ionization, time-of-flight MS. In addition, they coeluted on HPLC under different mobile phase conditions. Finally, the in vitro incubation with liver subcellular preparations confirmed this characterization and provided the evidence that APG can be formed by glucuronidation of AP or acetylation of PG.

In vitro detection of beta amyloid exploiting surface enhanced Raman scattering (SERS) using a nanofluidic biosensor

NASA Astrophysics Data System (ADS)

Benford, Melodie E.; Chou, I.-Hsien; Beier, Hope T.; Wang, Miao; Kameoka, Jun; Good, Theresa A.; Coté, Gerard L.

2008-02-01

Alzheimer's disease (AD), a neurodegenerative disease and the most common cause of dementia, affects 4.5 million people according to the 2000 US census and is expected to triple to 13.2 million by the year 2050. Since no definitive pre-mortem tests exist to distinguish AD from mild cognitive impairment due to the natural aging process, we focus on detecting the beta amyloid (Aβ) protein, the primary component of the senile plaques characteristic of AD. We specifically detect cytotoxic species of Aβ by exploiting surface enhanced Raman scattering (SERS). Using a nanofluidic device with a bottleneck shape (a microchannel leading into a nanochannel); we trapped gold colloid particles (60 nm) at the entrance to the nanochannel, with Aβ restricted within the interstices between the aggregated nanoparticles. The continuous flow generated from pumping the solution into the device produced size-dependent trapping of the gold colloid particles, resulting in a high density of aggregated nanoparticles at this precise region, creating localized "hot spots" in the interstitial region between nanoparticles, and shifting the plasmon resonance to the near infrared region, in resonance with incident laser wavelength. With this robust sensing platform, we were able to obtain concentration-dependent SERS spectra of Aβ and of different proteins present in the cerebrospinal fluid of healthy people and people with Alzheimer's disease.

The Properties of Reconnection Current Sheets in GRMHD Simulations of Radiatively Inefficient Accretion Flows

NASA Astrophysics Data System (ADS)

Ball, David; Özel, Feryal; Psaltis, Dimitrios; Chan, Chi-Kwan; Sironi, Lorenzo

2018-02-01

Non-ideal magnetohydrodynamic (MHD) effects may play a significant role in determining the dynamics, thermal properties, and observational signatures of radiatively inefficient accretion flows onto black holes. In particular, particle acceleration during magnetic reconnection events may influence black hole spectra and flaring properties. We use representative general relativistic magnetohydrodynamic (GRMHD) simulations of black hole accretion flows to identify and explore the structures and properties of current sheets as potential sites of magnetic reconnection. In the case of standard and normal evolution (SANE) disks, we find that in the reconnection sites, the plasma beta ranges from 0.1 to 1000, the magnetization ranges from 10‑4 to 1, and the guide fields are weak compared with the reconnecting fields. In magnetically arrested (MAD) disks, we find typical values for plasma beta from 10‑2 to 103, magnetizations from 10‑3 to 10, and typically stronger guide fields, with strengths comparable to or greater than the reconnecting fields. These are critical parameters that govern the electron energy distribution resulting from magnetic reconnection and can be used in the context of plasma simulations to provide microphysics inputs to global simulations. We also find that ample magnetic energy is available in the reconnection regions to power the fluence of bright X-ray flares observed from the black hole in the center of the Milky Way.

Theory and Transport of Nearly Incompressible Magnetohydrodynamic Turbulence

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

Zank, G. P.; Adhikari, L.; Hunana, P.

2017-02-01

The theory of nearly incompressible magnetohydrodynamics (NI MHD) was developed largely in the early 1990s, together with an important extension to inhomogeneous flows in 2010. Much of the focus in the earlier work was to understand the apparent incompressibility of the solar wind and other plasma environments, and the relationship of density fluctuations to apparently incompressible manifestations of turbulence in the solar wind and interstellar medium. Further important predictions about the “dimensionality” of solar wind turbulence and its relationship to the plasma beta were made and subsequently confirmed observationally. However, despite the initial success of NI MHD in describing fluctuationsmore » in the solar wind, a detailed application to solar wind turbulence has not been undertaken. Here, we use the equations of NI MHD to describe solar wind turbulence, rewriting the NI MHD system in terms of Elsässer variables. Distinct descriptions of 2D and slab turbulence emerge naturally from the Elsässer formulation, as do the nonlinear couplings between 2D and slab components. For plasma beta order 1 or less regions, predictions for 2D and slab spectra result from the NI MHD description, and predictions for the spectral characteristics of density fluctuations can be made. We conclude by presenting a NI MHD formulation describing the transport of majority 2D and minority slab turbulence throughout the solar wind. A preliminary comparison of theory and observations is presented.« less

In Vitro and In Vivo Characterization of the New Analgesic Combination Beta-Caryophyllene and Docosahexaenoic Acid

PubMed Central

Fiorenzani, Paolo; Lamponi, Stefania; Magnani, Agnese; Ceccarelli, Ilaria; Aloisi, Anna Maria

2014-01-01

Beta-caryophyllene (BCP) and docosahexaenoic acid (DHA) are components of several plants with documented anti-inflammatory and analgesic effects in animal pain models. In the present study, in vitro and in vivo tests were carried out to evaluate their effects, alone or in combination, during long-lasting administration in a model of persistent pain. IR spectra of the two compounds were obtained to determine their chemical stability and then in vitro toxicity was evaluated in fibroblasts and astrocytes. In the in vivo tests, the analgesic effects of BCP and BCP+DHA were determined in male rats subjected to a model of persistent recurrent pain (three repetitions of the formalin test once a week) to mimic recurrent pain. Both substances were administered per os in almond oil for 2 weeks. Gonadal hormones were determined at the end of the tests to evaluate treatment-induced effects on their levels. BCP changed fibroblast and astrocyte survival in a dose-dependent manner and the effect was counteracted by DHA coadministration. In the in vivo tests, pain responses were significantly decreased in the BCP and BCP+DHA groups with respect to OIL after 1 and 2 weeks of treatment. Estradiol and testosterone levels were increased only in the BCP group. In conclusion, BCP alone or at lower concentration in combination with DHA was efficacious in modulating pain, showing a clear analgesic activity. PMID:25097659

Infrared fine-structure line diagnostics of shrouded active galactic nuclei

NASA Technical Reports Server (NTRS)

Voit, G. M.

1992-01-01

The ultraluminous far-IR galaxies revealed by IRAS, quasar-like in luminosity but smothered in molecular gas, probably conceal either immense starbursts or luminous active nuclei. In both scenarios, these objects ought to produce copious infrared fine-structure emission with several lines comparable to H-beta in luminosity. We show how these lines, if detected, can be used to determine the electron densities and far-IR obscurations of shrouded photoionized regions and to constrain the shape and ionization parameter of the ionizing spectra. The presence of Ne v emission in particular will distinguish shrouded AGNs from shrouded starbursts. Since all active galaxies photoionize at least some surrounding material, these diagnostics can also be applied to active galaxies in general and will aid in studying how an active nucleus interacts with the interstellar medium of its host galaxy.

Gas chromatography-mass spectrometric studies of O-alkyl O-2-(N,N-dialkylamino) ethyl alkylphosphonites(phosphonates) for chemical weapons convention verification.

PubMed

Saeidian, Hamid; Babri, Mehran; Ramezani, Atefeh; Ashrafi, Davood; Sarabadani, Mansour; Naseri, Mohammad Taghi

2013-01-01

The electron ionization (EI) mass spectra of a series of O-alkyl O-2-(N,N-dialkylaminolethyl alkylphosphonites(phosphonates), which are precursors of nerve agents, were studied for Chemical Weapons Convention (CWC) verification. General El fragmentation pathways were constructed and discussed. Proposed fragment structures were confirmed through analyzing fragment ions of deuterated analogs and density functional theory (DFT) calculations. The observed fragment ions are due to different fragmentation pathways such as hydrogen and McLafferty+1 rearrangements, alkene, amine and alkoxy elimination by alpha- or beta-cleavage process. Fragment ions distinctly allow unequivocal identification of the interested compounds including those of isomeric compounds. The presence and abundance of fragment ions were found to depend on the size and structure of the alkyl group attached to nitrogen, phosphorus and oxygen atoms.

HEAO A-2 observations of the X-ray spectra of the Centaurus and A1060 clusters of galaxies

NASA Technical Reports Server (NTRS)

Mitchell, R.; Mushotzky, R.

1980-01-01

X-ray spectral observations of two nearby low-luminosity clusters of galaxies are presented. For the Centaurus cluster an emission feature at 7.9 keV is detected at about one-third of the strength of the 6.7 keV line. This higher energy line represents K-beta emission from highly ionized iron. In addition, it is demonstrated that for neither the Centaurus nor the A1060 cluster can an isothermal model with an Fe emission line adequately fit the data. Instead, the simplest models which provide acceptable fits include a second, harder component which may be either a second exponential or a power law. The implications of the two-component nature of the continuum on the Fe abundance and the X-ray surface-brightness distribution are discussed.

Microbial Incorporation of Fatty Acids Derived From n-Alkanes Into Glycerides and Waxes

PubMed Central

Davis, J. B.

1964-01-01

When n-alkanes with 13 to 20 carbon atoms were fed to a Nocardia closely related to N. salmonicolor, the produced cellular triglycerides and aliphatic waxes invariably contained fatty acids with an even or an odd number of carbon atoms subject to this feature of the n-alkane substrate. Beta-oxidation and C2 addition are both operative, as evidenced by the spectra of fatty acids incorporated into the cellular lipid components. There is no distinction in the rate of microbial incorporation of the odd-or even-numbered carbon chains. The fatty acids are apparently directly derived from the long chain n-alkanes, rather than synthesized via the classic C2-condensation route. The alcohol component of waxes produced by the Nocardia is invariably of the same chain length as the n-alkane substrate. PMID:14170957

Composition and antioxidant activity of the essential oils of Xylopia aethiopica (Dun) A. Rich. (Annonaceae) leaves, stem bark, root bark, and fresh and dried fruits, growing in Ghana.

PubMed

Karioti, Anastasia; Hadjipavlou-Litina, Dimitra; Mensah, Merlin L K; Fleischer, Theophilus C; Skaltsa, Helen

2004-12-29

The chemical composition of the essential oils obtained from the leaves, the barks of the stem and the root, as well as from the fresh and dried fruits of Xylopia aethiopica, growing in Ghana, was investigated by gas chromatography/mass spectrometry analyses. Kovats indices, mass spectra, and standard compounds were used to identify a total of 93 individual compounds. The monoterpene hydrocarbons formed the main portion in all studied samples. beta-Pinene was predominant in all cases, while trans-m-mentha-1(7),8-diene was the main compound in the essential oils of the leaves and the barks of roots and stems. Their potential antioxidant activity was also investigated and found to be significant in scavenging superoxide anion radical.

Deep infrared galaxies

NASA Technical Reports Server (NTRS)

Ashby, Matthew; Houck, J. R.; Hacking, Perry B.

1992-01-01

High signal-to-noise ratio optical spectra of 17 infrared-bright emission-line galaxies near the north ecliptic pole are presented. Reddening-corrected line ratios forbidden O III 5007/H-beta, N II 6583/H-alpha, S II (6716 + 6731)/H-alpha, and O I 6300/H-alpha are used to discriminate between candidate energy generation mechanisms in each galaxy. These criteria have frequently been applied to optically selected samples of galaxies in the past, but this is the first time they have been applied to a set of faint flux-limited infrared-selected objects. The analysis indicates the sample contains seven starburst galaxies and three (AGN). However, seven galaxies in the present sample elude the classification scheme based on these line ratios. It is concluded that a two-component (starburst plus AGN) model for energy generation is inadequate for infrared galaxies.

Seeing Through the Clouds: AGN Geometry with the Swift BAT Sample

NASA Astrophysics Data System (ADS)

Glikman, Eilat; Urry, M.; Schawinski, K.; Koss, M. J.; Winter, L. M.; Elitzur, M.; Wilkin, W. H.

2011-01-01

We investigate the intrinsic structure of the clouds surrounding AGN which give rise to their X-ray and optical emission properties. Using a complete sample of Swift BAT AGN selected in hard X-rays (14-195 keV), which is unbiased with respect to obscuration and extinction, we compute the reddening in the broad line region along the line of sight to the nucleus of each source using Balmer decrement from the ratio of the broad components of H-alpha/H-beta. We compare reddening from dust in the broad line clouds to the hydrogen column density (NH) obtained from their X-ray spectra. The distribution of the gas-to-dust ratios over many lines of sight allow us to test models of AGN structure and probe the immediate environment of the accreting supermassive black holes.

Modeling surface backgrounds from radon progeny plate-out

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

Perumpilly, G.; Guiseppe, V. E.; Snyder, N.

2013-08-08

The next generation low-background detectors operating deep underground aim for unprecedented low levels of radioactive backgrounds. The surface deposition and subsequent implantation of radon progeny in detector materials will be a source of energetic background events. We investigate Monte Carlo and model-based simulations to understand the surface implantation profile of radon progeny. Depending on the material and region of interest of a rare event search, these partial energy depositions can be problematic. Motivated by the use of Ge crystals for the detection of neutrinoless double-beta decay, we wish to understand the detector response of surface backgrounds from radon progeny. Wemore » look at the simulation of surface decays using a validated implantation distribution based on nuclear recoils and a realistic surface texture. Results of the simulations and measured α spectra are presented.« less

Nonlinear interaction of kinetic Alfven wave and whistler: Turbulent spectra and anisotropic scaling

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

Kumar Dwivedi, Navin; Sharma, R. P.

2013-04-15

In this work, we are presenting the excitation of oblique propagating whistler wave as a consequence of nonlinear interaction between whistler wave and kinetic Alfven wave (KAW) in intermediate beta plasmas. Numerical simulation has been done to study the transient evolution of magnetic field structures of KAW when the nonlinearity arises due to ponderomotive effects by taking the adiabatic response of the background density. Weak oblique propagating whistler signals in these nonlinear plasma density filaments (produced by KAW localization) get amplified. The spectral indices of the power spectrum at different times are calculated with given initial conditions of the simulations.more » Anisotropic scaling laws for KAW and whistlers are presented. The relevance of the present investigation to solar wind turbulence and its acceleration is also pointed out.« less

Turbulent MHD transport coefficients - An attempt at self-consistency

NASA Technical Reports Server (NTRS)

Chen, H.; Montgomery, D.

1987-01-01

In this paper, some multiple scale perturbation calculations of turbulent MHD transport coefficients begun in earlier papers are first completed. These generalize 'alpha effect' calculations by treating the velocity field and magnetic field on the same footing. Then the problem of rendering such calculations self-consistent is addressed, generalizing an eddy-viscosity hypothesis similar to that of Heisenberg for the Navier-Stokes case. The method also borrows from Kraichnan's direct interaction approximation. The output is a set of integral equations relating the spectra and the turbulent transport coefficients. Previous 'alpha effect' and 'beta effect' coefficients emerge as limiting cases. A treatment of the inertial range can also be given, consistent with a -5/3 energy spectrum power law. In the Navier-Stokes limit, a value of 1.72 is extracted for the Kolmogorov constant. Further applications to MHD are possible.

Qualification of the GASGUARD® SAS GGT Arsine Sub-Atmospheric Gas Delivery System for Ion Implantation

NASA Astrophysics Data System (ADS)

Dunn, James P.; Rolland, James L.; Grim, James S.; Machado, Reinaldo M.; Hartz, Christopher L.

2006-11-01

A beta level evaluation of the GASGUARD® SAS GGT Arsine ion implant dopant supply developed by Air Products and Chemicals, Inc. was conducted by Atmel Corporation. The evaluation included characterization of the normalized wafer yield, mass spectra, ionization efficiency, flow rate, beam current, extraction of usable material and cylinder lifetime. This new and novel sub-atmospheric dopant gas delivery system utilizes a unique electrochemical process, which can generate, on demand, high flows of arsine at a constant 400 torr pressure while limiting net inventory of arsine to only 1 gram. This paper illustrates how Atmel Corporation evaluated and released this new arsine dopant delivery system for commercial production and verified high delivery capacity, resulting in reduced gas costs and increased cylinder life compared to the traditional adsorbent based technology.

Structural characterization of a novel peptide with antimicrobial activity from the venom gland of the scorpion Tityus stigmurus: Stigmurin.

PubMed

de Melo, Edinara Targino; Estrela, Andréia Bergamo; Santos, Elizabeth Cristina Gomes; Machado, Paula Renata Lima; Farias, Kleber Juvenal Silva; Torres, Taffarel Melo; Carvalho, Enéas; Lima, João Paulo Matos Santos; Silva-Júnior, Arnóbio Antonio; Barbosa, Euzébio Guimarães; Fernandes-Pedrosa, Matheus de Freitas

2015-06-01

A new antimicrobial peptide, herein named Stigmurin, was selected based on a transcriptomic analysis of the Brazilian yellow scorpion Tityus stigmurus venom gland, an underexplored source for toxic peptides with possible biotechnological applications. Stigmurin was investigated in silico, by circular dichroism (CD) spectroscopy, and in vitro. The CD spectra suggested that this peptide interacts with membranes, changing its conformation in the presence of an amphipathic environment, with predominance of random coil and beta-sheet structures. Stigmurin exhibited antibacterial and antifungal activity, with minimal inhibitory concentrations ranging from 8.7 to 69.5μM. It was also showed that Stigmurin is toxic against SiHa and Vero E6 cell lines. The results suggest that Stigmurin can be considered a potential anti-infective drug. Copyright © 2015 Elsevier Inc. All rights reserved.

Has neutrinoless double /β decay of 76Ge been really observed?

NASA Astrophysics Data System (ADS)

Zdesenko, Yu. G.; Danevich, F. A.; Tretyak, V. I.

2002-10-01

The claim of discovery of the neutrinoless double beta (0ν2β) decay of 76Ge [Mod. Phys. Lett. A 16 (2001) 2409] is considered critically and firm conclusion about, at least, prematurity of such a claim is derived on the basis of a simple statistical analysis of the measured spectra. This result is also proved by analyzing the cumulative data sets of the Heidelberg-Moscow and IGEX experiments. Besides, it allows us to establish the highest worldwide half-life limit on the 0ν2β decay of 76Ge: T1/20ν⩾2.5 (4.2)×1025 yr at 90% (68%) C.L. This bound corresponds to the most stringent constraint on the Majorana neutrino mass: mν⩽0.3 (0.2) eV at 90% (68%) C.L.

The soft x-ray properties of a complete sample of optically selected quasars. 1: First results

NASA Technical Reports Server (NTRS)

Laor, Ari; Fiore, Fabrizio; Elvis, Martin; Wilkes, Belinda J.; Mcdowell, Jonathan C.

1994-01-01

We present the results of ROSAT position sensitive proportional counter (PSPC) observations of 10 quasars. These objects are part of our ROSAT program to observe a complete sample of optically selected quasars. This sample includes all 23 quasars from the bright quasar survey with a redshift z less than or = 0.400 and a Galactic H I column density N(sup Gal sub H I) less than 1.9 x 10(exp 20)/sq cm. These selection criteria, combined with the high sensitivity and improved energy resolution of the PSPC, allow us to determine the soft (approximately 0.2-2 keV) X-ray spectra of quasars with about an order of magnitude higher precision compared with earlier soft X-ray observations. The following main results are obtained: Strong correlations are suggested between the soft X-ray spectral slope alpha(sub x) and the following emission line parameters: H beta Full Width at Half Maximum (FWHM), L(sub O III), and the Fe II/H beta flux ratio. These correlations imply the following: (1) The quasar's environment is likely to be optically thin down to approximately 0.2 keV. (2) In most objects alpha(sub x) varies by less than approximately 10% on timescales shorter than a few years. (3) alpha(sub x) might be a useful absolute luminosity indicator in quasars. (4) The Galactic He I and H I column densities are well correlated. Most spectra are well characterized by a simple power law, with no evidence for either significant absorption excess or emission excess at low energies, to within approximately 30%. We find mean value of alpha(sub x) = -1.50 +/- 0.40, which is consistent with other ROSAT observations of quasars. However, this average is significantly steeper than suggested by earlier soft X-ray observations of the Einstein IPC. The 0.3 keV flux in our sample can be predicted to better than a factor of 2 once the 1.69 micrometer(s) flux is given. This implies that the X-ray variability power spectra of quasars flattens out between f approximately 10(exp -5) and f approximately 10(exp -8) Hz. A steep alpha(sub x) is mostly associated with a weak hard X-ray component, relative to the near-IR and optical emission, rather than a strong soft excess, and the scatter in the normalized 0.3 keV flux is significantly smaller than the scatter in the normalized 2 keV flux. This argues against either thin or thick accretion disks as the origin of the soft X-ray emission. Further possible implications of the results found here are briefly discussed.

Interaction with beta-arrestin determines the difference in internalization behavor between beta1- and beta2-adrenergic receptors.

PubMed

Shiina, T; Kawasaki, A; Nagao, T; Kurose, H

2000-09-15

The beta(1)-adrenergic receptor (beta(1)AR) shows the resistance to agonist-induced internalization. As beta-arrestin is important for internalization, we examine the interaction of beta-arrestin with beta(1)AR with three different methods: intracellular trafficking of beta-arrestin, binding of in vitro translated beta-arrestin to intracellular domains of beta(1)- and beta(2)ARs, and inhibition of betaAR-stimulated adenylyl cyclase activities by beta-arrestin. The green fluorescent protein-tagged beta-arrestin 2 translocates to and stays at the plasma membrane by beta(2)AR stimulation. Although green fluorescent protein-tagged beta-arrestin 2 also translocates to the plasma membrane, it returns to the cytoplasm 10-30 min after beta(1)AR stimulation. The binding of in vitro translated beta-arrestin 1 and beta-arrestin 2 to the third intracellular loop and the carboxyl tail of beta(1)AR is lower than that of beta(2)AR. The fusion protein of beta-arrestin 1 with glutathione S-transferase inhibits the beta(1)- and beta(2)AR-stimulated adenylyl cyclase activities, although inhibition of the beta(1)AR-stimulated activity requires a higher concentration of the fusion protein than that of the beta(2)AR-stimulated activity. These results suggest that weak interaction of beta(1)AR with beta-arrestins explains the resistance to agonist-induced internalization. This is further supported by the finding that beta-arrestin can induce internalization of beta(1)AR when beta-arrestin 1 does not dissociate from beta(1)AR by fusing to the carboxyl tail of beta(1)AR.

High efficiency microfluidic beta detector for pharmacokinetic studies in small animals

NASA Astrophysics Data System (ADS)

Convert, Laurence; Girard-Baril, Frédérique; Renaudin, Alan; Grondin, Étienne; Jaouad, Abdelatif; Aimez, Vincent; Charette, Paul; Lecomte, Roger

2011-10-01

New radiotracers are continuously being developed to improve diagnostic efficiency using Single Photon Emission Computed Tomography (SPECT) or Positron Emission Tomography (PET). The characterization of their pharmacokinetics requires blood radioactivity monitoring over time during the scan and is very challenging in small animals because of the low volume of blood available. In this work, a prototype microfluidic blood counter made of a microchannel atop a silicon substrate containing PIN photodiodes is proposed to improve beta detection efficiency in a small volume by eliminating unnecessary interfaces between fluid and detector. A flat rectangular-shaped epoxy channel, 36 μm×1.26 mm cross section and 31.5 mm in length, was microfabricated over a die containing an array of 2×2 mm 2 PIN photodiodes, leaving only a few micrometers of epoxy floor layer between the fluid and the photodiode sensitive surface. This geometry leads to a quasi 2D source, optimizing geometrical detection efficiency that was estimated at 41% using solid angle calculation. CV- IV measurements were made at each fabrication step to confirm that the microchannel components had no significant effects on the diodes' electrical characteristics. The chip was wire-bonded to a PCB and connected to charge sensitive preamplifier and amplifier modules for pulse shaping. Energy spectra recorded for different isotopes showed continuous beta distribution for PET isotopes and monoenergetic conversion electron peaks for 99mTc. Absolute sensitivity was determined for the most popular PET and SPECT radioisotopes and ranged from 26% to 33% for PET tracers ( 18F, 13N, 11C, 68Ga) and more than 2% for 99mTc. Input functions were successfully simulated with 18F, confirming the setup's suitability for pharmacokinetic modeling of PET and SPECT radiotracers in animal experiments. By using standard materials and procedures, the fabrication process is well suited to on-chip microfluidic functionality, allowing full characterization of new radiotracers.

Intracranial current density (LORETA) differences in QEEG frequency bands between depressed and non-depressed alcoholic patients.

PubMed

Coutin-Churchman, Pedro; Moreno, Rocío

2008-04-01

To assess possible differences in intracranial source distribution of surface QEEG power between depressed and non-depressed alcoholic patients in order to find any symptom-related topographic features of physiopathologic relevance. Low-Resolution Electromagnetic Tomography (LORETA) for the delta, theta, alpha and beta bands of EEG spectra was estimated from 38 alcoholic patients, 20 with and 18 without clinical depression, in which QEEG showed decreased slow and increased beta activity diffusely. Statistical non-parametric mapping was used to compare depressed and non-depressed groups. Measures of intracranial current density in individual patients at areas of significant differences were correlated with BDI scores. Patients with clinical depression showed areas of significantly lower current density than non-depressed patients in delta band at left anterior temporal, left midtemporal (including amygdala and hippocampus), and both frontopolar cortices mostly on the right; and in theta band at bilateral parietal lobe, anterior cingulate and medial frontal cortex. No differences were found at alpha and beta band. Intracranial current density in delta band at left parahippocampal, left midfrontal cortex and right frontopolar cortex was negatively correlated with BDI score. Theta band also showed negative correlations with BDI at sites of significant differences. Diffusely decreased delta and theta activity in the surface QEEG of alcoholic patients has a different intracranial distribution linked to the presence or not of clinical depression that seems to reveal a dysfunctional neuronal state at several specific limbic and other cortical locations that have been related to a specific clinical disorder such as depression. These results provided further evidence on the effects of depression in the context of alcohol dependence, in this case decreased slow activity as a possible marker of neuronal damage secondary to alcohol toxicity, clinically expressed as depressive symptoms when present in structures that are known to be related to clinical depression.

Development of Calorimetric Particle Spectrometer and Measurement of Specific Heat at Low Temperature.

NASA Astrophysics Data System (ADS)

Zhou, Jun-Wei

1991-02-01

A dilution refrigerator has been put into work from 30 mK to 300 K to study bolometer characteristics relevant to its potential use as a high resolution X-ray and alpha, beta, gamma particle spectrometer. Tests of the energy deposited in the detector by measuring the temperature rise following absorption of individual nuclear particles or X- or gamma-rays have been done. Essential studies were made of electromagnetic and acoustic noise. A composite-composite bolometer fabricated by the group of N. Coron (Institute of Space Astrophysics, France), with whom we collaborate, was used. This design allows the separate optimization of the absorber and thermistor, and avoids problems with absorption inhomogeneties. A FWHM resolution of 10.5 KeV for 5 to 6 MeV alpha spectra was obtained. This resolution exceeds the best obtainable with surface barrier semiconductor detectors. A broad spectrum recording simultaneously gamma-rays, beta and alpha particles from 15 KeV to 6 MeV was obtained with the same bolometer cooled below 0.1 K. Other bolometers were also tested. 6 KeV X-rays have been observed with a resolution of 472 eV. The bolometers were also used for determination of specific heat of the sapphire at low temperatures. Assuming a specific heat C = AT^3, we find in a 2.3 g sample A ~eq 1.4 times 10^{-8} J/Kcdotg from T = 0.1 K to T = 0.4 K. A discussion of the systematic errors in determining A is given. From our measurements, it was determined that a bolometer designed for a future possible neutrino mass measurement would have a resolution of 7.5 eV at 80 mK under optimal operation. Since tritium was implanted in this detector, systematic errors associated with electron spectrometer beta spectrum measurements can be, in principle, avoided.

Effects of selenium on the structure and function of recombinant human S-adenosyl-L-methionine dependent arsenic (+3 oxidation state) methyltransferase in E. coli.

PubMed

Geng, Zhirong; Song, Xiaoli; Xing, Zhi; Geng, Jinlong; Zhang, Sichun; Zhang, Xinrong; Wang, Zhilin

2009-05-01

The effects of Se(IV) on the structure and function of recombinant human arsenic (+3 oxidation state) methyltransferase (AS3MT) purified from the cytoplasm of Escherichia coli were studied. The coding region of human AS3MT complementary DNA was amplified from total RNA extracted from HepG2 cell by reverse transcription PCR. Soluble and active human AS3MT was expressed in the E. coli with a Trx fusion tag under a lower induction temperature of 25 degrees C. Spectra (UV-vis, circular dichroism, and fluorescence) were first used to probe the interaction of Se(IV) and recombinant human AS3MT and the structure-function relationship of the enzyme. The recombinant human AS3MT had a secondary structure of 29.0% alpha-helix, 23.9% beta-pleated sheet, 17.9% beta-turn, and 29.2% random coil. When Se(IV) was added, the content of the alpha-helix did not change, but that of the beta-pleated sheet increased remarkably in the conformation of recombinant human AS3MT. Se(IV) inhibited the enzymatic methylation of inorganic As(III) in a concentration-dependent manner. The IC(50) value for Se(IV) was 2.38 muM. Double-reciprocal (1/V vs. 1/[inorganic As(III)]) plots showed Se(IV) to be a noncompetitive inhibitor of the methylation of inorganic As(III) by recombinant human AS3MT with a K (i) value of 2.61 muM. We hypothesized that Se(IV) interacts with the sulfhydryl group of cysteine(s) in the structural residues rather than the cysteines of the active site (Cys156 and Cys206). When Se(IV) was combined with cysteine(s) in the structural residues, the conformation of recombinant human AS3MT changed and the enzymatic activity decreased. Considering the quenching of tryptophan fluorescence, Cys72 and/or Cys226 are deduced to be primary targets for Se(IV).

Infrared spectroscopy and surface chemistry of beta-Ga(2)O(3) nanoribbons.

PubMed

Bermudez, V M; Prokes, S M

2007-12-04

The structure and surface chemistry of crystalline beta-Ga2O3 nanoribbons (NRs), deposited in a thin layer on various metallic and dielectric substrates (mainly on Au), have been characterized using vibrational spectroscopy. The results have been analyzed with the aid of a previous ab initio theoretical model for the beta-Ga2O3 surface structure. Raman spectra and normal-incidence infrared (IR) transmission data show little if any difference from corresponding results for bulk single crystals. For a layer formed on a metallic substrate, IR reflection-absorption spectroscopy (IRRAS) shows longitudinal-optic (LO) modes that are red-shifted by approximately 37 cm-1 relative to those of a bulk crystal. Evidence is also seen for a bonding interaction at the Ga2O3/Au interface following heating in room air. Polarization-modulated IRRAS has been used to study the adsorption of pyridine under steady-state conditions in ambient pressures as high as approximately 5 Torr. The characteristic nu19b and nu8a modes of adsorbed pyridine exhibit little or no shift from the corresponding gas-phase values. This indicates that the surface is only weakly acidic, consistent with the theoretical prediction that singly unsaturated octahedral Ga sites are the only reactive cation sites on the NR surface. However, evidence for adsorption at defect sites is seen in the form of more strongly shifted modes that saturate in intensity at low pyridine coverage. The effect of H atoms, formed by thermal cracking of H2, has also been studied. No Ga-H or O-H bonds are observed on the pristine NR surface. This suggests that the previously reported presence of such species on Ga2O3 powders heated in H2 is a result of a partial reduction of the oxide surface. The heat of adsorption of atomic H on the pristine beta-Ga2O3(100) surface at 0 K is computed to be -1.79 eV per H at saturation (average of Ga-H and O-H sites), whereas a value of +0.45 eV per H is found for the dissociative adsorption of H2. This suggests that rapid recombinative desorption of H2 may limit the coverage of chemisorbed H on this surface.

Spectroscopy of Pluto at six longitudes, 380-930 nm

NASA Astrophysics Data System (ADS)

Cruikshank, Dale P.; Pinilla-Alonso, Noemi; Lorenzi, Vania; Grundy, Will M.; Licandro, Javier; Binzel, Richard P.

2014-11-01

We have obtained spectra of the Pluto-Charon pair (unresolved) in the wavelength range 380-930 nm with resolution ~450 at six roughly equally spaced longitudes. The data were taken in May and June, 2014, with the 4.2-m Isaac Newton Telescope at Roque de Los Muchachos Observatory in the Canary Islands, using the ACAM (auxiliary-port camera) in spectrometer mode, and using two solar analog stars. The new spectra clearly show absorption bands of solid CH4 at 620, 728, and 850-910 nm, which were known from earlier work. The 620-nm CH4 band is intrinsically very weak, and its appearance indicates a long optical pathlength through the ice. This is especially true if it arises from CH4 dissolved in N2 ice. Earlier work (Owen et al. Science 261, 745, 1993) on the near-infrared spectrum of Pluto (1-2.5 µm) has shown that the CH4 bands are shifted to shorter wavelengths because the CH4 occurs as a solute in beta-phase crystalline N2. The optical pathlength through the N2 crystals must be on the order of several cm to produce the N2 band observed at 2.15 µm. The new spectra exhibit a pronounced red slope across the entire wavelength range; the slope is variable with longitude, and differs in a small but significant way from that measured at comparable longitudes by Grundy & Fink (Icarus 124, 329, 1996) in their 15-year study of Pluto’s spectrum (500-1000 nm). The new spectra will provide an independent means for calibrating the color filter bands on the Multispectral Visible Imaging Camera (MVIC) (Reuter et al. Space Sci. Rev. 140, 129, 2008) on the New Horizons spacecraft, which will encounter the Pluto-Charon system in mid-2015. They will also form the basis of modeling the spectrum of Pluto at different longitudes to help establish the nature of the non-ice component(s) of Pluto’s surface. It is presumed that the non-ice component is the source of the yellow-red coloration of Pluto, which is known to be variable across the surface.

Spectroscopy of Pluto, 380-930 Nm at Six Longitudes

NASA Technical Reports Server (NTRS)

Cruikshank, D. P.; Pinilla-Alonso, N.; Lorenzi, V.; Grundy, William; Licandro, J.; Binzel, R. P.

2014-01-01

We have obtained spectra of the Pluto-Charon pair (unresolved) in the wavelength range 380-930 nm with resolution approx..450 at six roughly equally spaced longitudes. The data were taken in May and June, 2014, with the 4.2-m Isaac Newton Telescope at Roque de Los Muchachos Observatory in the Canary Islands, using the ACAM (auxiliary-port camera) in spectrometer mode, and using two solar analog stars. The new spectra clearly show absorption bands of solid CH4 at 620, 728, and 850-910 nm, which were known from earlier work. The 620-nm CH4 band is intrinsically very weak, and its appearance indicates a long optical path-length through the ice. This is especially true if it arises from CH4 dissolved in N2 ice. Earlier work (Owen et al. Science 261, 745, 1993) on the near-infrared spectrum of Pluto (1-2.5 microns) has shown that the CH4 bands are shifted to shorter wavelengths because the CH4 occurs as a solute in beta-phase crystalline N2. The optical path-length through the N2 crystals must be on the order of several cm to produce the N2 band observed at 2.15 microns. The new spectra exhibit a pronounced red slope across the entire wavelength range; the slope is variable with longitude, and differs in a small but significant way from that measured at comparable longitudes by Grundy & Fink (Icarus 124, 329, 1996) in their 15-year study of Pluto's spectrum (500-1000 nm). The new spectra will provide an independent means for calibrating the color filter bands on the Multispectral Visible Imaging Camera (MVIC) (Reuter et al. Space Sci. Rev. 140, 129, 2008) on the New Horizons spacecraft, which will encounter the Pluto-Charon system in mid-2015. They will also form the basis of modeling the spectrum of Pluto at different longitudes to help establish the nature of the non-ice component(s) of Pluto's surface. It is presumed that the non-ice component is the source of the yellow-red coloration of Pluto, which is known to be variable across the surface.

Characterization and inhibition of beta-adrenergic receptor kinase in intact myocytes.

PubMed

Laugwitz, K L; Kronsbein, K; Schmitt, M; Hoffmann, K; Seyfarth, M; Schömig, A; Ungerer, M

1997-08-01

beta-Adrenergic receptor kinase (beta ARK) phosphorylates and thereby inactivates agonist-occupied beta-adrenergic receptors (beta AR). beta ARK is thought to play an important role in the regulation of cardiac function. Therefore, we studied beta ARK activation and its inhibition in intact smooth muscle cells and in cardiomyoblasts. beta AR agonist-stimulated translocation of beta ARK was monitored by immunofluorescence labelling with specific antibodies and confocal laser scanning microscopy in DDT-MF 2 hamster smooth muscle cells and in H9c2 rat cardiomyoblasts. In unstimulated cells. beta ARK was mainly located in the cytosol. After beta AR agonist stimulation, the beta ARK signal was partially translocated to the membranes. Liposomal gene transfer of the COOH-terminus of beta ARK ('beta ARKmini') as a beta ARK inhibitor led to functional expression of this protein in both cell lines with high efficiency. Western blots with beta ARK antibodies showed a gene concentration-dependent immunoreactivity of the 'beta ARKmini' protein. 'beta ARKmini'-transfected myocytes demonstrated reduced membrane targeting of the beta ARK immuno-fluorescence signal. Additionally, the effect of 'beta ARKmini' on beta AR-induced desensitization of myocytic cAMP accumulation was investigated. In control cells, desensitization with isoproterenol led to a subsequent reduction of beta AR-induced cAMP accumulation. In 'beta ARKmini'-transfected myocytes, this beta AR-induced desensitization was significantly diminished, whereas normal beta AR-induced cAMP accumulation was unaffected. A gene concentration of 2 micrograms 'beta ARKmini' DNA/100,000 cardiomyoblasts, and of 0.7 microgram 'beta ARKmini' DNA/100,000 DDT-MF2 smooth muscle cells led to approximately 5.9- and approximately 5.6-fold overexpressions of 'beta ARKmini' vs. native beta ARK, respectively. These gene doses proved sufficient to attenuate beta-adrenergic desensitization significantly. (1) beta ARK translocation was evidenced in DDT-MF2 smooth muscle cells and in cardiomyoblasts by confocal laser scanning microscopy. (2) Feasibility of 'beta ARKmini' gene transfer to myocytes was demonstrated, and necessary gene doses for beta ARK inhibition were titered. (3) Overexpression of 'beta ARKmini' functionally interacted with endogenous beta-adrenergic signal transduction, leading to sustained cAMP accumulation after prolonged beta-adrenergic stimulation.

Comparison of Measurements and FluorMOD Simulations for Solar Induced Chlorophyll Fluorescence and Reflectance of a Corn Crop under Nitrogen Treatments [SIF and Reflectance for Corn

NASA Technical Reports Server (NTRS)

Middleton, Elizabeth M.; Corp, Lawrence A.; Campbell, Petya K. E.

2007-01-01

The FLuorescence Explorer (FLEX) satellite concept is one of six semifinalist mission proposals selected in 2006 for pre-Phase studies by the European Space Agency (ESA). The FLEX concept proposes to measure passive solar induced chlorophyll fluorescence (SIF) of terrestrial ecosystems. A new spectral vegetation Fluorescence Model (FluorMOD) was developed to include the effects of steady state SIF on canopy reflectance. We used our laboratory and field measurements previously acquired from foliage and canopies of corn (Zea mays L.) under controlled nitrogen (N) fertilization to parameterize and evaluate FluorMOD. Our data included biophysical properties, fluorescence (F) and reflectance spectra for leaves; reflectance spectra of canopies and soil; solar irradiance; plot-level leaf area index; and canopy SIF emissions determined using the Fraunhofer Line Depth principal for the atmospheric telluric oxygen absorption features at 688 nm (O2-beta) and 760 nm (O2-alpha). FluorMOD simulations implemented in the default "look-up-table" mode did not reproduce the observed magnitudes of leaf F, canopy SIF, or canopy reflectance. However, simulations for all of these parameters agreed with observations when the default FluorMOD information was replaced with measurements, although N treatment responses were underestimated. Recommendations were provided to enhance FluorMOD's potential utility in support of SIF field experiments and studies of agriculture and ecosystems.

The spectral evolution of the first galaxies. III. Simulated James Webb Space Telescope spectra of reionization-epoch galaxies with Lyman-continuum leakage

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

Zackrisson, Erik; Binggeli, Christian; Finlator, Kristian

In this study, using four different suites of cosmological simulations, we generate synthetic spectra for galaxies with different Lyman-continuum escape fractions (f (esc)) at redshiftsmore » $$z\\approx 7$$–9, in the rest-frame wavelength range relevant for the James Webb Space Telescope ( JWST) NIRSpec instrument. By investigating the effects of realistic star formation histories and metallicity distributions on the EW(Hβ)–β diagram (previously proposed as a tool for identifying galaxies with very high f (esc)), we find that neither of these effects are likely to jeopardize the identification of galaxies with extreme Lyman-continuum leakage. Based on our models, we expect that essentially all $$z\\approx 7\\mbox{–}9$$ galaxies that exhibit rest-frame $$\\mathrm{EW}({\\rm{H}}\\beta )\\lesssim 30$$ Å to have $${f}_{\\mathrm{esc}}\\gt 0.5$$. Incorrect assumptions concerning the ionizing fluxes of stellar populations or the dust properties of $$z\\gt 6$$ galaxies can in principle bias the selection, but substantial model deficiencies of this type should at the same time be evident from offsets in the observed distribution of $$z\\gt 6$$ galaxies in the EW(Hβ)–β diagram compared to the simulated distribution. Such offsets would thereby allow JWST/NIRSpec measurements of these observables to serve as input for further model refinement.« less

Abnormal EEG Power Spectra in Acute Transient Global Amnesia: A Quantitative EEG Study.

PubMed

Imperatori, Claudio; Farina, Benedetto; Todini, Federico; Di Blasi, Chiara; Mazzucchi, Edoardo; Brunetti, Valerio; Della Marca, Giacomo

2018-06-01

Transient global amnesia (TGA) is a clinical syndrome characterized by retrograde and anterograde amnesia without other neurological deficits. Although electroencephalography (EEG) methods are commonly used in both clinical and research setting with TGA patients, few studies have investigated neurophysiological pattern in TGA using quantitative EEG (qEEG). The main aim of the present study was to extend these previous findings by exploring EEG power spectra differences between patients with acute TGA and healthy controls using the exact low-resolution brain electromagnetic tomography software (eLORETA). EEG was recorded during 5 minutes of resting state. Sixteen patients (mean age: 66.81 ± 7.94 years) during acute TGA and 16 healthy subjects were enrolled. All patients showed hippocampal or parahippocampal signal abnormalities in diffusion-weighted magnetic resonance imaging performed from 2 to 5 days after the onset of TGA. Compared with healthy controls, TGA patients showed a decrease of theta power localized in the temporal lobe (Brodmann areas, BAs 21-22-38) and frontal lobe (BAs 8-9-44-45). A decrease of EEG beta power in the bilateral precuneus (BA 7) and in the bilateral postcentral gyrus (BAs 3-4-5) was also observed in TGA individuals. Taken together, our results could reflect the neurophysiological substrate of the severe impairment of both episodic memory and autobiographical memory which affect TGA patients during the acute phase.