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Sample records for complex gamma spectra

  1. Analysis of remotely accrued complex gamma ray spectra - proficiency test

    Energy Technology Data Exchange (ETDEWEB)

    Dowdall, M. (Norwegian Radiation Protection Authority (Norway))

    2009-03-15

    This report presents details pertaining to an exercise conducted as part of the NKS-B programme using synthetic gamma ray spectra to simulate the type of data that may be encountered in the early phase of a nuclear accident. The aim of the exercise was to provide participants with an opportunity to exercise in the type of situation and with the type of data that may result after a nuclear accident. Attempting to conduct such exercise internationally using actual samples presents practical and logistical difficulties and a synthetic spectrum was employed to negate some of these problems. A HPGe spectrum was synthesized containing a range of typical fallout isotopes and distributed, along with calibration information, to the participant laboratories. The participants were required to submit results within three hours of receipt and with the option of submitting further results within one week. The results provided by the laboratories indicate that all laboratories were able to identify and quantify some of the isotopes but only some labs were in a position to identify and quantify virtually all the constituents of the spectrum. Results indicate that there remain some problems with aspects such as true coincidence summation and using file formats with which labs may not be familiar with. The exercise provided a useful opportunity in exploring the possibilities of using synthetic spectra for exercise purposes and offered participants the chance to practice with the sort of scenario that may result after an accident. (au)

  2. Analysis of remotely accrued complex gamma ray spectra - proficiency test

    International Nuclear Information System (INIS)

    Dowdall, M.

    2009-03-01

    This report presents details pertaining to an exercise conducted as part of the NKS-B programme using synthetic gamma ray spectra to simulate the type of data that may be encountered in the early phase of a nuclear accident. The aim of the exercise was to provide participants with an opportunity to exercise in the type of situation and with the type of data that may result after a nuclear accident. Attempting to conduct such exercise internationally using actual samples presents practical and logistical difficulties and a synthetic spectrum was employed to negate some of these problems. A HPGe spectrum was synthesized containing a range of typical fallout isotopes and distributed, along with calibration information, to the participant laboratories. The participants were required to submit results within three hours of receipt and with the option of submitting further results within one week. The results provided by the laboratories indicate that all laboratories were able to identify and quantify some of the isotopes but only some labs were in a position to identify and quantify virtually all the constituents of the spectrum. Results indicate that there remain some problems with aspects such as true coincidence summation and using file formats with which labs may not be familiar with. The exercise provided a useful opportunity in exploring the possibilities of using synthetic spectra for exercise purposes and offered participants the chance to practice with the sort of scenario that may result after an accident. (au)

  3. The use of synthetic spectra to test the preparedness to evaluate and analyze complex gamma spectra

    International Nuclear Information System (INIS)

    Nikkinen, M

    2001-10-01

    This is the report of two exercises that were run under the NKS BOK-1.1 sub-project. In these exercises synthetic gamma spectra were developed to exercise the analysis of difficult spectra typically seen after a severe nuclear accident. The spectra were analyzed twice; first, participants were given short time to give results to resemble an actual emergency preparedness situation, then a longer period of time was allowed to tune the laboratory analysis results for quality assurance purposes. The exercise did prove that it is possible to move measurement data from one laboratory to another if second opinion of the analysis is needed. It was also felt that this kind of exercise would enhance the experience the laboratories have in analyzing accident data. Participants expressed the need for additional exercises of this type, this is inexpensive and an easy way to exercise quick emergency response situations not normally seen in daily laboratory routines. (au)

  4. Processing of gamma-ray spectra employing a Fourier deconvolver for the analysis of complex spectra

    International Nuclear Information System (INIS)

    Madan, V.K.; Rattan, S.S.

    1996-01-01

    Processing of a nuclear spectrum e.g. gamma ray spectrum is concerned with the estimation of energies and intensities of radiation. The processing involves filtering, peak detection and its significance, baseline delineation, the qualitative and the quantitative analysis of singlets and multiplets present in the spectrum. The methodology for the analysis of singlets is well established. However, the analysis of multiplets provides a challenge and is a extremely difficult problem. This report incorporates a Fourier deconvolver for the quantitative analysis of doublets separated by more than a full width at half maximum. The method is easy to implement. The report discusses the methodology, mathematical analysis, and the results obtained by analyzing both synthetic and observed spectra. A computer program, developed for the analysis of a nuclear spectrum, was verified by analyzing a 152 Eu gamma ray spectrum. The proposed technique compared favourably with SAMPO and MDFT method. (author). 16 refs., 3 tabs

  5. Qualitative and quantitative validation of the SINBAD code on complex HPGe gamma-ray spectra

    Energy Technology Data Exchange (ETDEWEB)

    Rohee, E.; Coulon, R.; Normand, S.; Carrel, F. [CEA, LIST, Laboratoire Capteurs et Architectures electroniques, F-91191 Gif-sur-Yvette, (France); Dautremer, T.; Barat, E.; Montagu, T. [CEA, LIST, Laboratoire Modelisation, Simulation et Systemes, F-91191 Gif-sur-Yvette, (France); Jammes, C. [CEA/DEN/SPEx/LDCI, Centre de Cadarache, F-13109 Saint-Paul-lez-Durance, (France)

    2015-07-01

    Radionuclides identification and quantification is a serious concern for many applications as safety or security of nuclear power plant or fuel cycle facility, CBRN risk identification, environmental radioprotection and waste measurements. High resolution gamma-ray spectrometry based on HPGe detectors is a performing solution for all these topics. During last decades, a great number of software has been developed to improve gamma spectra analysis. However, some difficulties remain in the analysis when photoelectric peaks are folded together with a high ratio between theirs amplitudes, when the Compton background is much larger compared to the signal of a single peak and when spectra are composed of a great number of peaks. This study deals with the comparison between conventional methods in radionuclides identification and quantification and the code called SINBAD ('Spectrometrie par Inference Non parametrique Bayesienne Deconvolutive'). For many years, SINBAD has been developed by CEA LIST for unfolding complex spectra from HPGe detectors. Contrary to conventional methods using fitting procedures, SINBAD uses a probabilistic approach with Bayesian inference to describe spectrum data. This conventional fitting method founded for example in Genie 2000 is compared with the nonparametric SINBAD approach regarding some key figures of merit as the peak centroid evaluation (identification) and peak surface evaluation (quantification). Unfriendly cases are studied for nuclides detection with closed gamma-rays energies and high photoelectric peak intensity differences. Tests are performed with spectra from the International Atomic Energy Agency (IAEA) for gamma spectra analysis software benchmark and with spectra acquired at the laboratory. Results show that SINBAD and Genie 2000 performances are quite similar with sometimes best results for SINBAD with the important difference that to achieve same performances the nonparametric method is user-friendly compared

  6. Sequential Analysis of Gamma Spectra

    International Nuclear Information System (INIS)

    Fayez-Hassan, M.; Hella, Kh.M.

    2009-01-01

    This work shows how easy one can deal with a huge number of gamma spectra. The method can be used for radiation monitoring. It is based on the macro feature of the windows XP connected to QBASIC software. The routine was used usefully in generating accurate results free from human errors. One hundred measured gamma spectra were fully analyzed in 10 minutes using our fast and automated method controlling the Genie 2000 gamma acquisition analysis software.

  7. Investigation of gamma spectra analysis

    International Nuclear Information System (INIS)

    Wu Huailong; Liu Suping; Hao Fanhua; Gong Jian; Liu Xiaoya

    2006-01-01

    In the investigation of radiation fingerprint comparison, it is found out that some of the popular gamma spectra analysis software have shortcomings, which decrease the radiation fingerprint comparison precision. So a new analysis software is developed for solving the problems. In order to display the advantage of developed program, some typical simulative warhead gamma spectra are analyzed respectively by present software and GAMMAVISION and GENNIE2000. Present software can be applied not only in nuclear warheads deep-cuts verification, but also in any radiation measurement field. (authors)

  8. Investigation of gamma spectra analysis

    International Nuclear Information System (INIS)

    Wu Huailong; Liu Suping; Hao Fanhua

    2006-12-01

    During the investigation of radiation fingerprint comparison, it is found out that the popular gamma spectra analysis softwares are faultful, which decrease the precision of radiation fingerprint comparison. So a new analysis software is development for solving the problems. In order to display the advantage of new program, some typical simulative gamma spectra of radiation source are analyzed respectively by our software and GAMMAVISION and GENNIE2000. The software can be applied not only in nuclear warheads deep-cuts verification, but also in any radiation measurement field. (authors)

  9. Gamma-ray burst spectra

    International Nuclear Information System (INIS)

    Teegarden, B.J.

    1982-01-01

    A review of recent results in gamma-ray burst spectroscopy is given. Particular attention is paid to the recent discovery of emission and absorption features in the burst spectra. These lines represent the strongest evidence to date that gamma-ray bursts originate on or near neutron stars. Line parameters give information on the temperature, magnetic field and possibly the gravitational potential of the neutron star. The behavior of the continuum spectrum is also discussed. A remarkably good fit to nearly all bursts is obtained with a thermal-bremsstrahlung-like continuum. Significant evolution is observed of both the continuum and line features within most events

  10. Skyshine spectra of gamma rays

    International Nuclear Information System (INIS)

    Swarup, Janardan

    1980-01-01

    A study of the spectra of gamma photons back-scattered in vertical direction by infinite air above ground (skyshine) is presented. The source for these measurements is a 650 Ci Cobalt-60 point-source and the skyshine spectra are reported for distances from 150 m to 325 m from the source, measured with a 5 cm x 5 cm NaI(Tl) detector collimated with collimators of 12 mm and 20 mm diameter and 5 cm length. These continuous spectra are unfolded with Gold's iterative technique. The photon-spectra so obtained have a distinct line at 72 keV due to multiply-scattered photons. This is an energy where photoelectric and Compton cross-sections for multiply-scattered photons balance each other. The intensity of the line(I) decreases exponentially with distance (d) from the source obeying a relation of the type I = Isub(o)esup(-μd) where μ is called as ''Multiply-Scatter Coefficient'', a constant of the medium which is air in these measurements. This relationship is explained in terms of a halo around the source comprising of multiply-scattered gamma photons, Isub(0) being the intensity of these scattered photons at the location of cobalt-source. A fraction called as ''Back-scattered Fraction'', the ratio of Isub(0) to the number of original photons from the cobalt-source entering the infinite air, is also calculated. It is shown that with a properly calibrated detector system, this fraction can be used to determine the strength of a large gamma source, viz. a nuclear explosion in air, and for mineral prospecting. These conclusions are general and can be applied to any other infinite medium. Some forward-scatter (transmission) spectra of cobalt-60 source through 10 cm of Pb and 2.5 cm of Al are also reported. (auth.)

  11. GRETEL, Ge(Li) Gamma Spectra Unfolding

    International Nuclear Information System (INIS)

    1975-01-01

    1 - Nature of physical problem solved: The program performs the quantitative analysis of gamma-ray spectra obtained by Ge(Li) detectors, using special libraries which are prepared for each particular problem. 2 - Method of solution: The computer routines which detect and evaluate peak areas perform the following operations: - local smoothing of the spectrum; - first derivative of the smoothed spectrum, - peak location according to the change of sign of the first derivative; - computation of the net area of each peak found

  12. Generation of synthetic gamma spectra with MATLAB

    International Nuclear Information System (INIS)

    Palmerio, Julian J.; Coppo, Anibal D.

    2009-01-01

    Objectives: The aim of this work is the simulation of gamma spectra using the MATLAB program to generate the calibration curves in efficiency, which will be used to measure radioactive waste in drums. They are necessary for the proper characterization of these drums. A Monte Carlo simulation was basically developed with the random number generator Mersenne Twister and nuclear data obtained from NIST. This paper shows the results obtained and difficulties encountered until today. The physical correction of the simulated spectra has been the only aspect we have been working, up to this moment. Procedures: A simplified representation of the 'Laboratorio de Verificacion y Control de la Calidad' was chosen. Drums with cemented liquid waste are routinely measured in this laboratory. The commercial program MCNP was also used to get a valid reference in the field of simulation of spectra. We analyzed the spectra obtained by MATLAB in the light of classical literature photon detection and the spectrum obtained by MCNP. Conclusions: Currently the program developed seems adequate to simulate a measurement in the 'Laboratorio de Verificacion y Control de la Calidad'. The spectra obtained by MATLAB seem to physically represent what is observed in real spectra. However, it is a slow program. The current development efforts are directed to improve the speed of simulation. An alternative is to use the CUDA language for NVIDIA video cards to parallelized the simulation. An adequate simulation of the electronic measuring chain is also needed to obtain better representations of the shapes of the peaks. (author)

  13. Spectra of {gamma} rays feeding superdeformed bands

    Energy Technology Data Exchange (ETDEWEB)

    Lauritsen, T.; Khoo, T.L.; Henry, R.G. [and others

    1995-08-01

    The spectrum of {gamma}rays coincident with SD transitions contains the transitions which populate the SD band. This spectrum can provide information on the feeding mechanism and on the properties (moment of inertia, collectivity) of excited SD states. We used a model we developed to explain the feeding of SD bands, to calculate the spectrum of feeding {gamma}rays. The Monte Carlo simulations take into account the trigger conditions present in our Eurogam experiment. Both experimental and theoretical spectra contain a statistical component and a broad E2 peak (from transitions occurring between excited states in the SD well). There is good resemblance between the measured and calculated spectra although the calculated multiplicity of an E2 bump is low by {approximately}30%. Work is continuing to improve the quality of the fits, which will result in a better understanding of excited SD states. In addition, a model for the last steps, which cool the {gamma} cascade into the SD yrast line, needs to be developed. A strong M1/E2 low-energy component, which we believe is responsible for this cooling, was observed.

  14. JADSPE, Multi-Channel Gamma Spectra Unfolding Program

    International Nuclear Information System (INIS)

    Rikovska, J.; Stejskalova, E.

    2005-01-01

    1 - Description of program or function: JADSPE is a package of eight programs to process multi-channel gamma-ray spectra. The programs can be used to: - locate automatically spectral peaks and calculate their positions, areas, and full widths at half maximum (FWHM); - plot the spectra on a CALCOMP plotter, TEKTRONIX terminal or a line printer; - add or subtract several spectra with the possibility of adjusting either their start and end channels or the maxima of the chosen corresponding peaks. The JADSPE package comprises the following programs: - SPECTF: automatic location of peaks and calculation of their positions, areas and FWHMS. The standard deviations of peak parameters are also determined, and each evaluated region is plotted on the line printer. - SPECT1: The areas and FWHMs are calculated for peaks whose positions are known beforehand. The standard deviations of calculated parameters are also determined, and each evaluated region is plotted on the line printer. - PLOCHA: The peak net area is calculated by summing the channel contents in specified regions and by subtracting a linear background. - GRAPH: Spectrum plotting on the line printer. - PLTNEW: Spectrum plotting on CALCOMP plotter or on TEKTRONIX terminal. - SUMDIF: The channel contents of several gamma-ray spectra are added or subtracted. - SSPFP: The channel contents of several gamma-ray spectra are added with adjustment of the maxima of specified peaks. - SOUCET: The channel contents of several gamma-ray spectra are added with the adjustment of start and end channels of the spectra. 2 - Method of solution: Non-linear least-square fit. 3 - Restrictions on the complexity of the problem: The full energy peaks are approximated by a symmetrical Gaussian function and the underlying background is approximated by a first-order polynomial. A fixed spectrum length of 4096 channels is assumed. Maxima of: - number of peaks in one multiplet: 9; - number of peaks identified by the automatic search procedure

  15. Applications of Monte Carlo simulations of gamma-ray spectra

    International Nuclear Information System (INIS)

    Clark, D.D.

    1995-01-01

    A short, convenient computer program based on the Monte Carlo method that was developed to generate simulated gamma-ray spectra has been found to have useful applications in research and teaching. In research, we use it to predict spectra in neutron activation analysis (NAA), particularly in prompt gamma-ray NAA (PGNAA). In teaching, it is used to illustrate the dependence of detector response functions on the nature of gamma-ray interactions, the incident gamma-ray energy, and detector geometry

  16. Gamma-ray Output Spectra from 239 Pu Fission

    International Nuclear Information System (INIS)

    Ullmann, John

    2015-01-01

    Gamma-ray multiplicities, individual gamma-ray energy spectra, and total gamma energy spectra following neutron-induced fission of 239 Pu were measured using the DANCE detector at Los Alamos. Corrections for detector response were made using a forward-modeling technique based on propagating sets of gamma rays generated from a paramaterized model through a GEANT model of the DANCE array and adjusting the parameters for best fit to the measured spectra. The results for the gamma-ray spectrum and multiplicity are in general agreement with previous results, but the measured total gamma-ray energy is about 10% higher. A dependence of the gamma-ray spectrum on the gamma-ray multplicity was also observed. Global model calculations of the multiplicity and gamma energy distributions are in good agreement with the data, but predict a slightly softer total-energy distribution

  17. Page: a program for gamma spectra analysis in PC microcomputers

    International Nuclear Information System (INIS)

    Goncalves, M.A.; Yamaura, M.; Costa, G.J.C.; Carvalho, E.I. de; Matsuda, H.T.; Araujo, B.F. de.

    1991-04-01

    PAGE is a software package, written in BASIC language, to perform gamma spectra analysis. It was developed to be used in a high-purity intrinsic germanium detector-multichannel analyser-PC microcomputer system. The analysis program of PAGE package accomplishes functions as follows: peak location; gamma nuclides identification; activity determination. Standard nuclides sources were used to calibrate the system. To perform the efficiency x energy calibration a logarithmic fit was applied. Analysis of nuclides with overlapping peaks is allowed by PAGE program. PAGE has additional auxiliary programs for: building and list of isotopic nuclear data libraries; data acquisition from multichannel analyser; spectrum display with automatic area and FWHM determinations. This software is to be applied in analytical process control where time response is a very important parameter. PAGE takes ca. 1.5 minutes to analyse a complex spectrum from a 4096 channels MCA. (author)

  18. Comparative Study of the Methods Used for the Computer Resolution of Composite Gamma-Ray Spectra; Etude Comparative des Methodes Utilisees pour la Resolution de Spectres Gamma Complexes au Moyen d'un Ordinateur; Sravnitel'noe izuchenie metodov razresheniya sostavnykh gamma-spektrov pri pomoshchi schetno-reshayushchego ustrojstva; Estudio Comparativo de los Metodos Aplicados para Resolver Espectros Gamma Complejos Mediante Calculadoras

    Energy Technology Data Exchange (ETDEWEB)

    DeHaan, A. Jr.; Leventhal, L.; Benson, P. [Tracerlab, Richmond, CA (United States)

    1965-10-15

    The resolution of complex mixtures of gamma-ray emitters has been expedited by the use of highly sophisticated gamma-ray spectrometers in association with digital computers. These instruments have now become generally available or easily accessible to technical laboratories. This paper discusses the techniques used in this laboratory to obtain the concentrations of individual gamma-emitting radionuclides in fallout samples and compares the results obtained by the various mathematical methods on composite samples. The computer derived data are compared with results obtained by radiochemical analysis of the sample. Binary mixtures were analysed by methods outlined below and then the analysis was extended to the many component system. A computer method was developed which normalizes gamma-ray spectra to minimize the effect of long-term spectrometer drift and converts the spectrum to an energy co-ordinate system. The effects of an ''unexpected photopeak, ''zero intensity component, and overlapping peaks on the solution by the various methods were investigated with special emphasis on low-level samples. The most common mathematical methods for resolving a composite gamma-ray spectrum into its components were investigated. Most of these procedures lead to estimates for the concentrations of the different gamma-ray emitters by one of the following methods: (1) The successive elimination of the radionuclides with higher energy photopeaks subtracting the pure spectrum from the composite spectrum until it has been resolved; (2) Peak resolution without stripping; (3) The establishment of a set of simultaneous linear equations of the same order as the number of radionuclides in the mixture and its solution; (4) The estimation of the unknown concentrations by the method of least-squares, either conventional or weighted; (5) A combined statistical and least-squares method employing stepwise multiple linear regression, an attempt to integrate decision-making processes into the

  19. GALIST, Decay Gamma Spectra Retrieval from ENSDF

    International Nuclear Information System (INIS)

    Ichimiya, Tsutomu

    2002-01-01

    Description of program or function: GALIST consists of two main programs, GAMRET and GNOI. - GAMRET retrieves from ENSDF or files with ENSDF-like format gamma rays following radioactive decay. GAMRET uses two auxiliary programs, ENSORT and AMSORT (see below under item 8). - GNOI makes a list of radionuclides and their gamma rays. In the decay data of ENSDF, however, not all gamma-ray intensities are included

  20. Librarian driven analysis of gamma ray spectra

    International Nuclear Information System (INIS)

    Kondrashov, V.; Petersone, I.

    2002-01-01

    For a set of a priori given radionuclides extracted from a general nuclide data library, the authors use median estimates of the gamma-peak areas and estimates of their errors to produce a list of possible radionuclides matching gamma ray line(s). The identification of a given radionuclide is obtained by searching for a match with the energy information of a database. This procedure is performed in an interactive graphic mode by markers that superimpose, on the spectral data, the energy information and yields provided by a general gamma ray data library. This library of experimental data includes approximately 17,000 gamma ray energy lines related to 756 known gamma emitter radionuclides listed by the ICRP. (author)

  1. RICKI, Interactive Gamma Spectra Unfolding with Isotope Identification

    International Nuclear Information System (INIS)

    Proctor, A.E.

    1990-01-01

    1 - Description of program or function: RICKI is an interactive program for analysis of gamma spectra containing one or more peaks with possible multiplets. Algorithms are incorporated for peak fitting, analysis, and nuclide identification. Comprehensive output keeps the user informed of the analysis as it proceeds and presents the results. User-selectable options for plotting and neutron activation analysis are available to control this analysis. RICKI was developed to analyze spectra from examinations of severe fuel damage specimens. Two features included to streamline the analysis of Three Mile Island (TMI) core bore data are the edit of averaged activities and the output file created for generating a spreadsheet. Activity editing allows the user to select which gamma lines are used for a specific nuclide in average activity calculations. Contributions from peak areas which result from overlapping lines of two or more nuclides may be removed. For each averaged activity an edited activity file record is written containing the nuclide name, averaged activity, activity standard deviation, scan start position, and scan end position. 2 - Method of solution: The peak search algorithm utilizes an optimized second derivative filter for efficient and reliable determination of peak location. A linear Gaussian fitting technique, which is a modified version of Mukoyama's linear least squares fitting method in which the centroid, sigma, and peak height are free parameters, is used to calculate peak areas. An estimated background is computed for each peak using Gunnink's method. Nuclide activities are computed by matching centroids with nuclide library entries and averaging the activity calculated for each matching peak. 3 - Restrictions on the complexity of the problem - Maxima of: 500 gamma library entries, 80 peaks/spectrum

  2. A Comparison Of GADRAS Simulated And Measured Gamma Ray Spectra

    International Nuclear Information System (INIS)

    Jeffcoat, R.; Salaymeh, S.

    2010-01-01

    Gamma-ray radiation detection systems are continuously being developed and improved for detecting the presence of radioactive material and for identifying isotopes present. Gamma-ray spectra, from many different isotopes and in different types and thicknesses of attenuation material and matrixes, are needed to evaluate the performance of these devices. Recently, a test and evaluation exercise was performed by the Savannah River National Laboratory that required a large number of gamma-ray spectra. Simulated spectra were used for a major portion of the testing in order to provide a pool of data large enough for the results to be statistically significant. The test data set was comprised of two types of data, measured and simulated. The measured data were acquired with a hand-held Radioisotope Identification Device (RIID) and simulated spectra were created using Gamma Detector Response and Analysis Software (GADRAS, Mitchell and Mattingly, Sandia National Laboratory). GADRAS uses a one-dimensional discrete ordinate calculation to simulate gamma-ray spectra. The measured and simulated spectra have been analyzed and compared. This paper will discuss the results of the comparison and offer explanations for spectral differences.

  3. Monte Carlo simulations of plutonium gamma-ray spectra

    International Nuclear Information System (INIS)

    Koenig, Z.M.; Carlson, J.B.; Wang, Tzu-Fang; Ruhter, W.D.

    1993-01-01

    Monte Carlo calculations were investigated as a means of simulating the gamma-ray spectra of Pu. These simulated spectra will be used to develop and evaluate gamma-ray analysis techniques for various nondestructive measurements. Simulated spectra of calculational standards can be used for code intercomparisons, to understand systematic biases and to estimate minimum detection levels of existing and proposed nondestructive analysis instruments. The capability to simulate gamma-ray spectra from HPGe detectors could significantly reduce the costs of preparing large numbers of real reference materials. MCNP was used for the Monte Carlo transport of the photons. Results from the MCNP calculations were folded in with a detector response function for a realistic spectrum. Plutonium spectrum peaks were produced with Lorentzian shapes, for the x-rays, and Gaussian distributions. The MGA code determined the Pu isotopes and specific power of this calculated spectrum and compared it to a similar analysis on a measured spectrum

  4. Study of Gamma spectra by Monte Carlo simulation

    International Nuclear Information System (INIS)

    Cantaragiu, A.; Gheorghies, A.; Borcia, C.

    2008-01-01

    The purpose of this paper is obtaining gamma ray spectra by means of a scintillation detector applying the Monte Carlo statistic simulation method using the EGS4 program. The Monte Carlo algorithm implies that the physical system is described by the probability density function which allows generating random figures and the result is taken as an average of numbers which were observed. The EGS4 program allows the simulation of the following physical processes: the photo-electrical effect, the Compton effect, the electron positron pairs generation and the Rayleigh diffusion. The gamma rays recorded by the detector are converted into electrical pulses and the gamma ray spectra are acquired and processed by means of the Nomad Plus portable spectrometer connected to a computer. As a gamma ray sources 137Cs and 60Co are used whose spectra drawn and used for study the interaction of the gamma radiations with the scintillation detector. The parameters which varied during the acquisition of the gamma ray spectra are the distance between source and detector and the measuring time. Due to the statistical processes in the detector, the peak looks like a Gauss distribution. The identification of the gamma quantum energy value is achieved by the experimental spectra peaks, thus gathering information about the position of the peak, the width and the area of the peak respectively. By means of the EGS4 program a simulation is run using these parameters and an 'ideal' spectrum is obtained, a spectrum which is not influenced by the statistical processes which take place inside the detector. Then, the convolution of the spectra is achieved by means of a normalised Gauss function. There is a close match between the experimental results and those simulated in the EGS4 program because the interactions which occurred during the simulation have a statistical behaviour close to the real one. (authors)

  5. Spreadsheet analysis of gamma spectra for nuclear material measurements

    International Nuclear Information System (INIS)

    Mosby, W.R.; Pace, D.M.

    1990-01-01

    A widely available commercial spreadsheet package for personal computers is used to calculate gamma spectra peak areas using both region of interest and peak fitting methods. The gamma peak areas obtained are used for uranium enrichment assays and for isotopic analyses of mixtures of transuranics. The use of spreadsheet software with an internal processing language allows automation of routine analysis procedures increasing ease of use and reducing processing errors while providing great flexibility in addressing unusual measurement problems. 4 refs., 9 figs

  6. Application of simulated standard spectra in natural radioactivity measurements using gamma spectrometry

    International Nuclear Information System (INIS)

    Narayani, K.; Pant, A.D.; Bhosle, Nitin; Anilkumar, S.; Singh, Rajvir; Pradeepkumar, K.S.

    2014-01-01

    Gamma ray spectrometry is one of the well known analytical techniques for environmental radioactivity measurements. Gamma spectrometer based on NaI(Tl) scintillation detectors is very popular since it offers high efficiency, low cost and case in handling. The poor energy resolution of the NaI(TI) detector is the major disadvantage making tile analysis of complex gamma ray spectra difficult. Least square method or the full spectrum analysis method is widely used for the analysis of complex spectra from scintillation detectors. The main requirement of this method is that the individual standard spectra of all nuclides expected in the complex spectrum in the same measurement geometry must be available. It is not always possible and feasible to have all the standards of nuclides in the desired geometry. A methodology based on the use of simulated standard spectra generated by Monte Carlo technique was proposed for analysis of complex spectra of nuclides. In the present work, for the analysis of 238 U, 233 Th and 40 K in soil samples, the same methodology was applied by using the simulated standard spectra in soil matrix. The details of the simulation method and results analysis of 238 U, 232 Th and 40 K in environmental samples are discussed in this paper

  7. GRABGAM Analysis of Ultra-Low-Level HPGe Gamma Spectra

    International Nuclear Information System (INIS)

    Winn, W.G.

    1999-01-01

    The GRABGAM code has been used successfully for ultra-low level HPGe gamma spectrometry analysis since its development in 1985 at Savannah River Technology Center (SRTC). Although numerous gamma analysis codes existed at that time, reviews of institutional and commercial codes indicated that none addressed all features that were desired by SRTC. Furthermore, it was recognized that development of an in-house code would better facilitate future evolution of the code to address SRTC needs based on experience with low-level spectra. GRABGAM derives its name from Gamma Ray Analysis BASIC Generated At MCA/PC

  8. GRABGAM Analysis of Ultra-Low-Level HPGe Gamma Spectra

    Energy Technology Data Exchange (ETDEWEB)

    Winn, W.G.

    1999-07-28

    The GRABGAM code has been used successfully for ultra-low level HPGe gamma spectrometry analysis since its development in 1985 at Savannah River Technology Center (SRTC). Although numerous gamma analysis codes existed at that time, reviews of institutional and commercial codes indicated that none addressed all features that were desired by SRTC. Furthermore, it was recognized that development of an in-house code would better facilitate future evolution of the code to address SRTC needs based on experience with low-level spectra. GRABGAM derives its name from Gamma Ray Analysis BASIC Generated At MCA/PC.

  9. Program LEPS to addition of gamma spectra from germanium detectors

    International Nuclear Information System (INIS)

    Romero, L.

    1986-01-01

    The LEP program, written in FORTRAN IV, performs the addition of two spectra, collected with different detectors, from the same sample. This application, adds the two gamma spectra obtained from two opposite LEPS Germanium Detectors (Low Energy Photon Spectrometer), correcting the differences (channel/energy) between both two spectra, and fitting them before adding. The total-spectrum is recorded at the computer memory as a single spectrum. The necessary equipment, to run this program is: - Two opposite germanium detectors, with their associate electronics. - Multichannel analyzer (2048 memory channel minimum) - Computer on-line interfacing to multichannel analyzer. (Author) 4 refs

  10. Program DEIMOS32 for gamma-ray spectra evalution

    Czech Academy of Sciences Publication Activity Database

    Frána, Jaroslav

    2003-01-01

    Roč. 257, č. 3 (2003), s. 583-587 ISSN 0236-5731. [International Conference Ko-users Workshop /3./. Bruges, 23.09.2001-28.09.2001] Institutional research plan: CEZ:AV0Z1048901 Keywords : gamma-ray spectra * software Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 0.472, year: 2003

  11. Determination of gaussian peaks in gamma spectra by iterative regression

    International Nuclear Information System (INIS)

    Nordemann, D.J.R.

    1987-05-01

    The parameters of the peaks in gamma-ray spectra are determined by a simple iterative regression method. For each peak, the parameters are associated with a gaussian curve (3 parameters) located above a linear continuum (2 parameters). This method may produces the complete result of the calculation of statistical uncertainties and an accuracy higher than others methods. (author) [pt

  12. Calculation of gamma spectra for positron annihilation on molecules

    Energy Technology Data Exchange (ETDEWEB)

    Green, Dermot G; Gribakin, G F [Centre for Theoretical Atomic, Molecular and Optical Physics, Queen' s University Belfast, BT7 1NN (United Kingdom); Wang, F [Centre for Molecular Simulation, Sinburne University of Technology, Melbourne, Victoria 3122 (Australia); Surko, C M, E-mail: dgreen09@qub.ac.u [Physics Department, University of California, San Diego, La Jolla, California 92093-0319 (United States)

    2009-11-01

    Gamma spectra for positron annihilation on molecules are calculated based on molecular electron momentum densities and using an atomic adjustment factor that accounts for the positron. Results for H{sub 2} agree well with experiment. Analysis of methane and larger alkanes and their substitutes is underway.

  13. Identification of peaks in multidimensional coincidence {gamma}-ray spectra

    Energy Technology Data Exchange (ETDEWEB)

    Morhac, Miroslav E-mail: fyzimiro@savba.sk; Kliman, Jan; Matousek, Vladislav; Veselsky, Martin; Turzo, Ivan

    2000-03-21

    In the paper a new algorithm to find peaks in two, three and multidimensional spectra, measured in large multidetector {gamma}-ray arrays, is derived. Given the dimension m, the algorithm is selective to m-fold coincidence peaks. It is insensitive to intersections of lower-fold coincidences, hereinafter called ridges.

  14. Baseline distortion effect on gamma-ray pulse-height spectra in neutron capture experiments

    International Nuclear Information System (INIS)

    Laptev, A.; Harada, H.; Nakamura, S.; Hori, J.; Igashira, M.; Ohsaki, T.; Ohgama, K.

    2005-01-01

    A baseline distortion effect due to gamma-flash at neutron time-of-flight measurement using a pulse neutron source has been investigated. Pulses from C 6 D 6 detectors accumulated by flash-ADC were processed with both standard analog-to-digital converter (ADC) and flash-ADC operational modes. A correction factor of gamma-ray yields, due to baseline shift, was quantitatively obtained by comparing the pulse height spectra of the two data-taking modes. The magnitude of the correction factor depends on the time after gamma-flash and has complex time dependence with a changing sign

  15. Use of new spectral analysis methods in gamma spectra deconvolution

    International Nuclear Information System (INIS)

    Pinault, J.L.

    1991-01-01

    A general deconvolution method applicable to X and gamma ray spectrometry is proposed. Using new spectral analysis methods, it is applied to an actual case: the accurate on-line analysis of three elements (Ca, Si, Fe) in a cement plant using neutron capture gamma rays. Neutrons are provided by a low activity (5 μg) 252 Cf source; the detector is a BGO 3 in.x8 in. scintillator. The principle of the methods rests on the Fourier transform of the spectrum. The search for peaks and determination of peak areas are worked out in the Fourier representation, which enables separation of background and peaks and very efficiently discriminates peaks, or elements represented by several peaks. First the spectrum is transformed so that in the new representation the full width at half maximum (FWHM) is independent of energy. Thus, the spectrum is arranged symmetrically and transformed into the Fourier representation. The latter is multiplied by a function in order to transform original Gaussian into Lorentzian peaks. An autoregressive filter is calculated, leading to a characteristic polynomial whose complex roots represent both the location and the width of each peak, provided that the absolute value is lower than unit. The amplitude of each component (the area of each peak or the sum of areas of peaks characterizing an element) is fitted by the weighted least squares method, taking into account that errors in spectra are independent and follow a Poisson law. Very accurate results are obtained, which would be hard to achieve by other methods. The DECO FORTRAN code has been developed for compatible PC microcomputers. Some features of the code are given. (orig.)

  16. Use of MCNP + GADRAS in Generating More Realistic Gamma-Ray Spectra for Plutonium and HEU Objects

    International Nuclear Information System (INIS)

    Rawool-Sullivan, Mohini; Mattingly, John; Mitchell, Dean

    2012-01-01

    The ability to accurately simulate high-resolution gamma spectra from materials that emit both neutrons and gammas is very important to the analysis of special nuclear materials (SNM), e.g., uranium and plutonium. One approach under consideration has been to combine MCNP and GADRAS. This approach is expected to generate more accurate gamma ray spectra for complex three-dimensional geometries than can be obtained from one-dimensional deterministic transport simulations (e.g., ONEDANT). This presentation describes application of combining MCNP and GADRAS in simulating plutonium and uranium spectra.

  17. Analysis of coincidence {gamma}-ray spectra using advanced background elimination, unfolding and fitting algorithms

    Energy Technology Data Exchange (ETDEWEB)

    Morhac, M. E-mail: fyzimiro@savba.skfyzimiro@flnr.jinr.ru; Matousek, V. E-mail: matousek@savba.sk; Kliman, J.; Krupa, L.L.; Jandel, M

    2003-04-21

    The efficient algorithms to analyze multiparameter {gamma}-ray spectra are presented. They allow to search for peaks, to separate peaks from background, to improve the resolution and to fit 1-, 2-, 3-parameter {gamma}-ray spectra.

  18. Analysis of gamma spectra with a HP calcultor

    International Nuclear Information System (INIS)

    Rocc, H.C.

    1978-01-01

    Three programs for the analysis of gamma spectra, specially useful for neutron activation analysis, were adapted and tested. The equipment used is a Hewlett-Packard, model 9810-A desk-computer, supplied with punched tape reader, additional memory in magnetic tape and plotter, being the system capacity 111 numerical registers and 2036 programme steps. The first programme allows automatic photopeak detection in spectra up to 4096 channels, obtained with Ge(Li) detectors,generating the corresponding background radiation line. The areas and their standard deviations are calculated and the spectrum and background can be plotted [pt

  19. Are there nuclear contributions to gamma ray burst spectra

    International Nuclear Information System (INIS)

    Matz, S.M.; Chupp, E.L.; Forrest, D.J.; Share, G.H.; Nolan, P.L.; Rieger, E.

    1984-01-01

    We have examined the spectra of 38 γ-ray bursts observed by the Gamma Ray Spectrometer (GRS) on the Solar Maximum Mission (SMM) satellite for evidence of a nuclear contribution to the high energy flux. A sum of spectra from the nine bursts with detectable flux >4 MeV suggests but does not require a drop-off above 7 MeV. A cutoff between 7 and 8 MeV is consistent with a high energy spectrum dominated by nuclear lines

  20. gamma. -spectra of radioactive fallout from the atmosphere. [In German

    Energy Technology Data Exchange (ETDEWEB)

    Herbst, W; Sommermeyer, K

    1957-01-01

    Foils used for collecting dust which were exposed to radioactive fallout for 8 days, and grass ashes exhibit the same ..gamma..-spectra. The peaks were characteristic of the following isotopes, half-lives in brackets: /sup 140/Ba (13 days) + /sup 140/La; /sup 95/Zr (65 days) + /sup 95/Nb; and /sup 103/Ru (40 days). Relative peak heights indicated age of fallout.

  1. Gamma spectra pictures using a digital plotter. Program MONO

    International Nuclear Information System (INIS)

    Los Arcos Merino, J.M.

    1978-01-01

    The program MONO has been written for a CALCOMP-936 digital plotter operating off- -line with a UMI VAC 1106 computer, to obtain graphic representations of single gamma spectra stored on magnetic tape. It allows to plot the whole spectrum or only a part, as well as to draw a given spectrum on the same or different picture than the previous one. Ten representation scales are available and at up nine comment lines can be written in a graphic. (Author) 4 refs

  2. Application of the Oslo method to high resolution gamma spectra

    Science.gov (United States)

    Simon, A.; Guttormsen, M.; Larsen, A. C.; Beausang, C. W.; Humby, P.

    2015-10-01

    Hauser-Feshbach statistical model is a widely used tool for calculation of the reaction cross section, in particular for astrophysical processes. The HF model requires as an input an optical potential, gamma-strength function (GSF) and level density (LD) to properly model the statistical properties of the nucleus. The Oslo method is a well established technique to extract GSFs and LDs from experimental data, typically used for gamma-spectra obtained with scintillation detectors. Here, the first application of the Oslo method to high-resolution data obtained using the Ge detectors of the STARLITER setup at TAMU is discussed. The GSFs and LDs extracted from (p,d) and (p,t) reactions on 152154 ,Sm targets will be presented.

  3. The optimization of gamma spectra processing in prompt gamma neutron activation analysis (PGNAA)

    Energy Technology Data Exchange (ETDEWEB)

    Pinault, Jean-Louis [IAEA Expert, 96 rue du Port David, 45370 Dry (France)], E-mail: jeanlouis_pinault@hotmail.fr; Solis, Jose [Instituto Peruano de Energia Nuclear, Av. Canada No. 1470, San Borja, Lima 41 (Peru)

    2009-04-15

    The uncertainty of the elemental analysis is one of the major factors governing the utility of on-line Prompt Gamma Neutron Activation Analysis (PGNAA) in the blending and sorting of bulk materials. In this paper, a general method applicable to Gamma spectra processing is presented and applied to PGNAA in mineral industry. Based on the Fourier transform of spectra and their de-correlation in the Fourier space (the improvement of the conditioning of the correlation matrix), processing of overlapping of characteristic peaks minimizes the propagation of random errors, which optimizes the accuracy and decreases the detection limits of elemental analyses. In comparison with classical methods based on the linear combinations of relevant regions of spectra the improvement may be considerable, especially when several elements are interfering. The method is applied to four case stories covering both borehole logging and on-line analysis on conveyor belt of raw materials.

  4. Computer code for qualitative analysis of gamma-ray spectra

    International Nuclear Information System (INIS)

    Yule, H.P.

    1979-01-01

    Computer code QLN1 provides complete analysis of gamma-ray spectra observed with Ge(Li) detectors and is used at both the National Bureau of Standards and the Environmental Protection Agency. It locates peaks, resolves multiplets, identifies component radioisotopes, and computes quantitative results. The qualitative-analysis (or component identification) algorithms feature thorough, self-correcting steps which provide accurate isotope identification in spite of errors in peak centroids, energy calibration, and other typical problems. The qualitative-analysis algorithm is described in this paper

  5. An automated background estimation procedure for gamma ray spectra

    International Nuclear Information System (INIS)

    Tervo, R.J.; Kennett, T.J.; Prestwich, W.V.

    1983-01-01

    An objective and simple method has been developed to estimate the background continuum in Ge gamma ray spectra. Requiring no special procedures, the method is readily automated. Based upon the inherent statistical properties of the experimental data itself, nodes, which reflect background samples are located and used to produce an estimate of the continuum. A simple procedure to interpolate between nodes is reported and a range of rather typical experimental data is presented. All information necessary to implemented this technique is given including the relevant properties of various factors involved in its development. (orig.)

  6. A computer program for automatic gamma-ray spectra analysis

    International Nuclear Information System (INIS)

    Hiromura, Kazuyuki

    1975-01-01

    A computer program for automatic analysis of gamma-ray spectra obtained with a Ge(Li) detector is presented. The program includes a method by comparing the successive values of experimental data for the automatic peak finding and method of leastsquares for the peak fitting. The peak shape in the fitting routine is a 'modified Gaussian', which consists of two different Gaussians with the same height joined at the centroid. A quadratic form is chosen as a function representing the background. A maximum of four peaks can be treated in the fitting routine by the program. Some improvements in question are described. (auth.)

  7. Unattented mode monitoring of high resolution gamma-ray spectra

    International Nuclear Information System (INIS)

    Smith, B.G.R.; Van Dyck, P.; Debraix, P.

    1991-01-01

    An Isotope Monitoring System (IMS) for unattended spectrum acquisition is described. This consists of a simple low cost flexible software package running on a Compaq 80386 and controlling up to 4 Canberra Packard System 100 multi-channel analyzer (MCA) cards. The IMS permits the independent configuration of each of the 4 MCA cards for different monitoring cycles and for different spectrum acquisition cycles each being based upon different trigger criteria. In this way IMS is able to automatically identify events, time tag them, and acquire and store valid spectra corresponding to those event. An additional feature of IMS permits to run a Multigroup Analysis (MGA) software package for the determination of plutonium isotopic compositions in batch mode. One particular application is discussed which consists of 4 high resolution gamma-ray detector systems connected together to the IMS for unattended spectrum acquisition. The off-line batch mode analysis of the spectra using MGA is also discussed

  8. Gamma-ray continuum spectra from heavy ion reactions

    International Nuclear Information System (INIS)

    Beene, J.R.; Halbert, M.L.; Hensley, D.C.; Sarantites, D.G.; Westerberg, L.W.; Geoffroy, K.; Woodward, R.

    1979-01-01

    A detailed quantitative analysis of the yrast continuum was attempted by subtracting the underlying statistical continnuum in a way that makes allowance for ignorance of its detailed shape. This procedure makes it possible to obtain the moment of inertia as a function of spin over a wide range of spins. The results of this continuum spectra shape analysis can be used to calculate the first and second moments of the continuum multiplicity distribution. Continuum spectra were taken during the bombardment of 150 Nd by 115- and 130-MeV beams of 20 Ne, also the first and second moments of the γ-ray multiplicity distribution as a function of the gamma energy. The moment of inertia versus spin and the deduced Yrast continuua are shown. 10 references

  9. Calculation of neutron and gamma ray energy spectra for fusion reactor shield design: comparison with experiment

    International Nuclear Information System (INIS)

    Santoro, R.T.; Alsmiller, R.G. Jr.; Barnes, J.M.; Chapman, G.T.

    1980-08-01

    Integral experiments that measure the transport of approx. 14 MeV D-T neutrons through laminated slabs of proposed fusion reactor shield materials have been carried out. Measured and calculated neutron and gamma ray energy spectra are compared as a function of the thickness and composition of stainless steel type 304, borated polyethylene, and Hevimet (a tungsten alloy), and as a function of detector position behind these materials. The measured data were obtained using a NE-213 liquid scintillator using pulse-shape discrimination methods to resolve neutron and gamma ray pulse height data and spectral unfolding methods to convert these data to energy spectra. The calculated data were obtained using two-dimensional discrete ordinates radiation transport methods in a complex calculational network that takes into account the energy-angle dependence of the D-T neutrons and the nonphysical anomalies of the S/sub n/ method

  10. Automatic analysis of gamma spectra using a desk computer

    International Nuclear Information System (INIS)

    Rocca, H.C.

    1976-10-01

    A code for the analysis of gamma spectra obtained with a Ge(Li) detector was developed for use with a desk computer (Hewlett-Packard Model 9810 A). The process is performed in a totally automatic way, data are conveniently smoothed and the background is generated by a convolutive equation. A calibration of the equipment with well-known standard sources gives the necessary data for adjusting a third degree equation by minimun squares, relating the energy with the peak position. Criteria are given for determining if certain groups of values constitute or not a peak or if it is a double line. All the peaks are adjusted to a gaussian curve and if necessary decomposed in their components. Data entry is by punched tape, ASCII Code. An alf-numeric printer provides (a) the position of the peak and its energy, (b) its resolution if it is larger than expected, (c) the area of the peak with its statistic error determined by the method of Wasson. As option, the complete spectra with the determined background can be plotted. (author) [es

  11. The spectra program library: A PC based system for gamma-ray spectra analysis and INAA data reduction

    Science.gov (United States)

    Baedecker, P.A.; Grossman, J.N.

    1995-01-01

    A PC based system has been developed for the analysis of gamma-ray spectra and for the complete reduction of data from INAA experiments, including software to average the results from mulitple lines and multiple countings and to produce a final report of analysis. Graphics algorithms may be called for the analysis of complex spectral features, to compare the data from alternate photopeaks and to evaluate detector performance during a given counting cycle. A database of results for control samples can be used to prepare quality control charts to evaluate long term precision and to search for systemic variations in data on reference samples as a function of time. The entire software library can be accessed through a user-friendly menu interface with internal help.

  12. Effect of γ-softness on continuum gamma-ray spectra

    International Nuclear Information System (INIS)

    Hamamoto, I.; Onishi, N.

    1985-01-01

    In the case that a nuclear system has a large fluctuation in the direction of triaxiality, we examine the possible feature expected to appear in the continuum gamma-ray spectra, especially a possibility of the filling in the central valley of the two-dimensional gamma-energy coincidence spectra. (orig.)

  13. MCNP modelling of scintillation-detector gamma-ray spectra from natural radionuclides.

    Science.gov (United States)

    Hendriks, P H G M; Maucec, M; de Meijer, R J

    2002-09-01

    gamma-ray spectra of natural radionuclides are simulated for a BGO detector in a borehole geometry using the Monte Carlo code MCNP. All gamma-ray emissions of the decay of 40K and the series of 232Th and 238U are used to describe the source. A procedure is proposed which excludes the time-consuming electron tracking in less relevant areas of the geometry. The simulated gamma-ray spectra are benchmarked against laboratory data.

  14. The holistic analysis of gamma-ray spectra in instrumental neutron activation analysis

    Energy Technology Data Exchange (ETDEWEB)

    Blaauw, M

    1993-11-15

    The subject is the computerized analysis of the gamma-ray spectra in INAA. This analysis can be separated in three parts: The conversion of the spectra to information on {gamma}-ray energies and their relative intensities (spectrum reduction), the determination of the relation between the intensity of a {gamma}-ray and the amount of the corresponding element present in the sample (standardization) and the attribution of the {gamma}-ray energies to the elements, including the subsequent computation of the amounts of the elements (interpretation). A {gamma}-ray spectrum can be considered to be the linear sum of the {gamma}-ray spectra of the individual radionuclides present in the sample. Knowing the relative activities of the different radionuclides that may be produced by activation of a single element, a {gamma}-ray spectrum in INAA can also be considered to be the linear sum of the spectra of the elements. This principle has hitherto not been used in INAA to analyze the spectra by linear least squares methods, using all {gamma}-ray energies observed in the spectrum. The implementation of this `holistic` approach required that attention be paid to both spectrum reduction, standardization and interpretation. The thesis describes the methods developed for the holistic analysis of {gamma}-ray spectra in INAA, and present results of experimental comparisons between the holistic and other approaches. (orig./HP).

  15. Electron shell contributions to gamma-ray spectra of positron annihilation in noble gases

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Feng; Selvam, Lalitha [Centre for Molecular Simulation, Swinburne University of Technology, PO Box 218, Hawthorn, Victoria 3122 (Australia); Gribakin, Gleb F [Department of Applied Mathematics and Theoretical Physics, Queen' s University Belfast BT7 1NN (United Kingdom); Surko, Clifford M, E-mail: fwang@swin.edu.a [Physics Department, University of California, San Diego, La Jolla, CA 92093-0319 (United States)

    2010-08-28

    Gamma-ray positron annihilation spectra of the noble gases are simulated using computational chemistry tools for the bound electron wavefunctions and plane-wave approximation for the low-energy positron. The present annihilation line shapes, i.e. the full width at half maximum, {Delta}{epsilon}, of the {gamma}-ray annihilation spectra for He and Ar (valence) agree well with available independent atomic calculations using a different algorithm. For other noble gases they achieve moderate agreement with the experimental measurements. It is found that the contributions of various atomic electron shells to the spectra depend significantly on their principal quantum number n and orbital angular momentum quantum number l. The present study further reveals that the outermost ns electrons of the noble gases exhibit spectral line shapes in close agreement with those measured, indicating (as expected) that the measurements are not due to a simple sum over the momentum densities for all atomic electrons. The robust nature of the present approach makes it possible for us to proceed to more complex molecular systems using the tools of modern computational chemistry.

  16. Automatic storage of single gamma spectra on magnetic tape. Programs Longo, Dire

    International Nuclear Information System (INIS)

    Los Arcos Merino, J.M.

    1978-01-01

    The program Longo provides the block size and the black number in a binary file on magnetic tape. It has been applied to analyse the structure of the nine-track magnetic tapes storing single or coincidence gamma spectra files, recorded in octet form by a Multi-8 minicomputer in the Nuclear Spectrometry Laboratory of J.E.N. Then the program Dire has been written to transform the single gamma spectra into a new Fastrand disk file, storing the information in 36 bit words. A copy of this file is obtained on magnetic tape and the single gamma spectra are then availables by standard Fortran V reading sentences. (author)

  17. Automatic storing of single gamma spectra on magnetic tape. Programs LONGO, DIRE

    International Nuclear Information System (INIS)

    Los Arcos Merino, J. M.

    1978-01-01

    The program LONGO provides the block size and the block number in a binary file on magnetic tape. It has been applied to analyse the structure of the nine-track magnetic tapes storing single or coincidence gamma spectra files, recorded in octet form by a MULTI-8 minicomputer in the Nuclear Spectrometry Laboratory of J.E.N. Then the program DIRE has been written to transform the single gamma spectra into a new FASTRAND disk file, storing the information in-36 bit words. A copy of this file is obtained on magnetic tape and the single gamma spectra are then available by standard FORTRAN V reading sentences. (Author) 3 refs

  18. Laser- and gamma-induced transformations of optical spectra of indium-doped sodium borate glass

    CERN Document Server

    Kopyshinsky, O V; Zelensky, S E; Danilchenko, B A; Shakhov, O P

    2003-01-01

    The optical absorption and luminescence properties of indium-doped sodium borate glass irradiated by gamma-rays and by powerful UV lasers within the impurity-related absorption band are investigated experimentally. It is demonstrated that both the laser- and gamma-irradiation cause similar transformations of optical spectra in the UV and visible regions. The changes of the spectra observed are described with the use of a model which includes three types of impurity centres formed by differently charged indium ions.

  19. The analysis of the gamma-ray pulseheight spectra resulting from the NaI detector

    International Nuclear Information System (INIS)

    Huang Zhengde; Zhang Guishan; Chen Qun; Cao Zhong

    1990-01-01

    The analysis of the Gamma-ray pulse-height spectra resulting from NaI detector is described by using weighted least square iteration. The computer program has the function of searching for Gamma-ray peak automatically. It can be used in the analysis of continuous, discrete or their superposition spectra. Besides, there are some function of the spectrum smooth,the correction of the shift in gain and zero energy channel intercept. Some results of the computer program are presented

  20. MCNP modelling of scintillation-detector gamma-ray spectra from natural radionuclides

    NARCIS (Netherlands)

    Hendriks, Peter; Maucec, M; de Meijer, RJ

    gamma-ray spectra of natural radionuclides are simulated for a BGO detector in a borehole geometry using the Monte Carlo code MCNP. All gamma-ray emissions of the decay of K-40 and the series of Th-232 and U-238 are used to describe the source. A procedure is proposed which excludes the

  1. EPR spectra induced by gamma-irradiation of some dry medical herbs

    Science.gov (United States)

    Yordanov, N. D.; Lagunov, O.; Dimov, K.

    2009-04-01

    The radiation-induced EPR spectra in some medical herbs are reported. The samples studied are: (i) leaves of nettle, common balm, peppermint and thyme; (ii) stalks of common balm, thyme, milfoil, yarrow and marigold; (iii) blossoms of yarrow and marigold; (iv) blossoms and leaves of hawthorn and tutsan; and (v) roots of common valerian, nettle, elecampane (black and white), restharrows and carlina. Before irradiation all samples exhibit one weak anisotropic singlet EPR line with effective g-value of 2.0050±0.0002. The radiation-induced spectra fall into three groups. EPR spectra of irradiated blossoms of yarrow and marigold, stalks of common balm, thyme, tutsan and yarrow as well as roots of common valerian, nettle and elecampane (black and white) show "cellulose-like" EPR spectrum typical for irradiated plants. It is characterized by one intense central line with g=2.0050±0.0005 and two weak satellite lines situated ca. 30 G left and right to it. EPR spectra of gamma-irradiated restharrows and carlina are complex. They may be represented by one triplet corresponding to the "cellulose-like" EPR spectrum, one relatively intense singlet, situated in the center of the spectrum, and five weak additional satellite lines left and right to the center. The last spectrum was assigned as "carbohydrate-like" type. Only one intense EPR singlet with g=2.0048±0.0005 was recorded after irradiation of leaves of nettle and common balm. The lifetime of the radiation-induced EPR spectra was followed for a period of 3 months.

  2. EPR spectra induced by gamma-irradiation of some dry medical herbs

    International Nuclear Information System (INIS)

    Yordanov, N.D.; Lagunov, O.; Dimov, K.

    2009-01-01

    The radiation-induced EPR spectra in some medical herbs are reported. The samples studied are: (i) leaves of nettle, common balm, peppermint and thyme; (ii) stalks of common balm, thyme, milfoil, yarrow and marigold; (iii) blossoms of yarrow and marigold; (iv) blossoms and leaves of hawthorn and tutsan; and (v) roots of common valerian, nettle, elecampane (black and white), restharrows and carlina. Before irradiation all samples exhibit one weak anisotropic singlet EPR line with effective g-value of 2.0050±0.0002. The radiation-induced spectra fall into three groups. EPR spectra of irradiated blossoms of yarrow and marigold, stalks of common balm, thyme, tutsan and yarrow as well as roots of common valerian, nettle and elecampane (black and white) show 'cellulose-like' EPR spectrum typical for irradiated plants. It is characterized by one intense central line with g=2.0050±0.0005 and two weak satellite lines situated ca. 30 G left and right to it. EPR spectra of gamma-irradiated restharrows and carlina are complex. They may be represented by one triplet corresponding to the 'cellulose-like' EPR spectrum, one relatively intense singlet, situated in the center of the spectrum, and five weak additional satellite lines left and right to the center. The last spectrum was assigned as 'carbohydrate-like' type. Only one intense EPR singlet with g=2.0048±0.0005 was recorded after irradiation of leaves of nettle and common balm. The lifetime of the radiation-induced EPR spectra was followed for a period of 3 months

  3. EPR spectra induced by gamma-irradiation of some dry medical herbs

    Energy Technology Data Exchange (ETDEWEB)

    Yordanov, N.D. [Laboratory EPR, Institute of Catalysis, Bulgarian Academy of Sciences, 1113 Sofia (Bulgaria)], E-mail: ndyepr@bas.bg; Lagunov, O. [Laboratory EPR, Institute of Catalysis, Bulgarian Academy of Sciences, 1113 Sofia (Bulgaria); Dimov, K. [Institute of Cryobiology and Food technology, 1162 Sofia (Bulgaria)

    2009-04-15

    The radiation-induced EPR spectra in some medical herbs are reported. The samples studied are: (i) leaves of nettle, common balm, peppermint and thyme; (ii) stalks of common balm, thyme, milfoil, yarrow and marigold; (iii) blossoms of yarrow and marigold; (iv) blossoms and leaves of hawthorn and tutsan; and (v) roots of common valerian, nettle, elecampane (black and white), restharrows and carlina. Before irradiation all samples exhibit one weak anisotropic singlet EPR line with effective g-value of 2.0050{+-}0.0002. The radiation-induced spectra fall into three groups. EPR spectra of irradiated blossoms of yarrow and marigold, stalks of common balm, thyme, tutsan and yarrow as well as roots of common valerian, nettle and elecampane (black and white) show 'cellulose-like' EPR spectrum typical for irradiated plants. It is characterized by one intense central line with g=2.0050{+-}0.0005 and two weak satellite lines situated ca. 30 G left and right to it. EPR spectra of gamma-irradiated restharrows and carlina are complex. They may be represented by one triplet corresponding to the 'cellulose-like' EPR spectrum, one relatively intense singlet, situated in the center of the spectrum, and five weak additional satellite lines left and right to the center. The last spectrum was assigned as 'carbohydrate-like' type. Only one intense EPR singlet with g=2.0048{+-}0.0005 was recorded after irradiation of leaves of nettle and common balm. The lifetime of the radiation-induced EPR spectra was followed for a period of 3 months.

  4. Standard gamma-ray spectra for the comparison of spectral analysis software

    Energy Technology Data Exchange (ETDEWEB)

    Woods, S.; Hemingway, J.; Bowles, N. [and others

    1997-08-01

    Three sets of standard {gamma}-ray spectra have been produced for use in assessing the performance of spectral analysis software. The origin of and rationale behind the spectra are described. Nine representative analysis systems have been tested both in terms of component performance and in terms of overall performance and the problems encountered in the analysis are discussed. (author)

  5. Gamma-ray spectra deconvolution by maximum-entropy methods

    International Nuclear Information System (INIS)

    Los Arcos, J.M.

    1996-01-01

    A maximum-entropy method which includes the response of detectors and the statistical fluctuations of spectra is described and applied to the deconvolution of γ-ray spectra. Resolution enhancement of 25% can be reached for experimental peaks and up to 50% for simulated ones, while the intensities are conserved within 1-2%. (orig.)

  6. Analysis of the gamma spectra of the uranium, actinium, and thorium decay series

    International Nuclear Information System (INIS)

    Momeni, M.H.

    1981-09-01

    This report describes the identification of radionuclides in the uranium, actinium, and thorium series by analysis of gamma spectra in the energy range of 40 to 1400 keV. Energies and absolute efficiencies for each gamma line were measured by means of a high-resolution germanium detector and compared with those in the literature. A gamma spectroscopy method, which utilizes an on-line computer for deconvolution of spectra, search and identification of each line, and estimation of activity for each radionuclide, was used to analyze soil and uranium tailings, and ore

  7. Representation of Complex Spectra in Auditory Cortex

    Science.gov (United States)

    1997-01-01

    predict the response to any broadband dynamic sound. Fourier Transform Inverse Transform ∫ [.] exp(±2πjΩx±2πjwt) 2 1 2 / 1 1 a 2 1 2 / 1 1 a...Systems Research University of Maryland Spectro-Temporal Transform Ω wx = log f t w = “ripple velocity” Ω = “ripple frequency” Fourier Transform Inverse ... Transform ∫ [.] exp(±2πjΩx±2πjwt) Real functions in the spectro-temporal domain give rise to complex conjugate symmetric functions in the Fourier

  8. Measurements of impurity spectra using UV/visible spectroscopic system in a GAMMA 10 plasma

    International Nuclear Information System (INIS)

    Matama, K.; Yoshikawa, M.; Kobayashi, T.; Kubota, Y.; Cho, T.

    2006-01-01

    Impurity spectra have been measured and identified using a newly designed ultraviolet and visible (UV/visible) spectroscopic system in the tandem mirror GAMMA 10. It is constructed using two spectrometers to obtain an entire wavelength range of UV/visible impurity spectra with a high wavelength resolution in one plasma shot. We successfully obtained the emission intensities of the radiation spectra in detail and information on the time-varying population densities of the impurities. We evaluate radiation loss from the GAMMA 10 plasma in the UV/visible range; further we estimate the electron density and temperature after applying the measured spectral intensity to a collisional-radiative model

  9. Analysis method for beta-gamma coincidence spectra from radio-xenon isotopes

    International Nuclear Information System (INIS)

    Yang Wenjing; Yin Jingpeng; Huang Xiongliang; Cheng Zhiwei; Shen Maoquan; Zhang Yang

    2012-01-01

    Radio-xenon isotopes monitoring is one important method for the verification of CTBT, what includes the measurement methods of HPGe γ spectrometer and β-γ coincidence. The article describes the analytic flowchart and method of three-dimensional beta-gamma coincidence spectra from β-γ systems, and analyses in detail the principles and methods of the regions of interest of coincidence spectra and subtracting the interference, finally gives the formula of radioactivity of Xenon isotopes and minimum detectable concentrations. Studying on the principles of three-dimensional beta-gamma coincidence spectra, which can supply the foundation for designing the software of β-γ coincidence systems. (authors)

  10. Portable microcomputer unit for the analysis of plutonium gamma-ray spectra

    International Nuclear Information System (INIS)

    Ruhter, W.D.; Camp, D.C.

    1981-10-01

    A portable microcomputer has been developed for the IAEA to perform in-field analysis of plutonium gamma-ray spectra. The unit includes a 16-bit LSI-11/2 microprocessor, 32K words of memory, a 20-character display for user prompting, and a 20-character thermal printer for hardcopy output. Only the positions of the 148-keV Pu-241 and 208-keV U-237 peaks are required for spectral analysis. The unit was tested against gamma-ray spectra taken of NBS plutonium standards and IAEA spectra. Results obtained are presented

  11. Time-of-flight spectrometer for the measurement of gamma correlated neutron spectra

    International Nuclear Information System (INIS)

    Andriashin, A.V.; Devkin, B.V.; Lychagin, A.A.; Minko, J.V.; Mironov, A.N.; Nesterenko, V.S.; Sztaricskai, T.; Petoe, G.; Vasvary, L.

    1986-01-01

    A time-of-flight spectrometer for the measurement of gamma correlated neutron spectra from (n,xnγ) reactions is described. The operation and the main parameters are discussed. The resolution in the neutron channel is 2.2 ns/m at the 150 keV neutron energy threshold. A simultaneous measurement of the time-of-flight and amplitude distributions makes it possible to study gamma correlated neutron spectra as well as the prompt gamma spectra in coincidence with selected energy neutrons. In order to test the spectrometer, measurements of the neutron spectrum in coincidence with the 846 keV gamma line of 56 Fe were carried out at an incident neutron energy of 14.1 MeV. (Auth.)

  12. Time-of-flight spectrometer for the measurement of gamma correlated neutron spectra

    International Nuclear Information System (INIS)

    Andryashin, A.V.; Devlein, B.V.; Lychagin, A.A.; Minko, Y.V.; Mironov, A.N.; Nesterenko, V.S.

    1986-01-01

    A time-of-flight spectrometer for the measurement of gamma correlated neutron spectra form (n,xnγ) reactions is described. The operation and the main parameters are discussed. The resolution in the neutron channel is 2.2 ns/m at the 150 keV neutron energy threshold. A simultaneous measurement of the time-of-flight and amplitude distributions makes it possible to study gamma correlated neutron spectra as well as the prompt gamma spectra in coincidence with selected energy neutrons. In order to test the spectrometer, measurements of the neutron spectrum in coincidence with the 846 keV gamma line of 56 Fe were carried out at an incident neutron energy of 14.1 MeV. (author). 3 figs., 6 refs

  13. Neutron and gamma dose and spectra measurements on the Little Boy replica

    International Nuclear Information System (INIS)

    Hoots, S.; Wadsworth, D.

    1984-01-01

    The radiation-measurement team of the Weapons Engineering Division at Lawrence Livermore National Laboratory (LLNL) measured neutron and gamma dose and spectra on the Little Boy replica at Los Alamos National Laboratory (LANL) in April 1983. This assembly is a replica of the gun-type atomic bomb exploded over Hiroshima in 1945. These measurements support the National Academy of Sciences Program to reassess the radiation doses due to atomic bomb explosions in Japan. Specifically, the following types of information were important: neutron spectra as a function of geometry, gamma to neutron dose ratios out to 1.5 km, and neutron attenuation in the atmosphere. We measured neutron and gamma dose/fission from close-in to a kilometer out, and neutron and gamma spectra at 90 and 30 0 close-in. This paper describes these measurements and the results. 12 references, 13 figures, 5 tables

  14. SAMPO80, Ge(Li) Detector Gamma Spectra Unfolding with Isotope Identification

    International Nuclear Information System (INIS)

    Koskelo, M.J.; Aarnio, P.A.; Routti, J.T.

    1998-01-01

    1 - Description of problem or function: Analysis of gamma spectra measured with Ge(Li) or HPGe detectors. 2 - Method of solution: - Shape calibration using a non-linear least squares algorithm with a variable metric method. - Peak location with a smoothed second difference method. - Peak area calculation with a linear least squares fit to predefined peak shapes. - Nuclide identification with a linear least squares fit based on associated lines. 3 - Restrictions on the complexity of the problem: Number of shape calibration points allowed: 20; Number of energy calibration points allowed: 20; Number of efficiency calibration points allowed: 20; Maximum number of found peaks: 100; Maximum number of fitted peaks: 100; Maximum number of peaks in a multiplet: 5; Maximum number of channels in a fitting interval: 50; Maximum number of peaks for nuclide identification: 80; Maximum number of identified nuclides: 30; Maximum number of lines per nuclide: 30

  15. Gamma-ray emission spectra from spheres with 14 MeV neutron source

    International Nuclear Information System (INIS)

    Yamamoto, Junji; Kanaoka, Takeshi; Murata, Isao; Takahashi, Akito; Sumita, Kenji

    1989-01-01

    Energy spectra of neutron-induced gamma-rays emitted from spherical samples were measured using a 14 MeV neutron source. The samples in use were LiF, Teflon:(CF 2 ) n , Si, Cr, Mn, Co, Cu, Nb, Mo, W and Pb. A diameter of the sphere was either 40 or 60 cm. The gamma-ray energy in the emission spectra covered the range from 500 keV to 10 MeV. Measured spectra were compared with transport calculations using the nuclear data files of JENDL-3T and ENDF/B-IV. The agreements between the measurements and the JENDL-3T calculations were good in the emission spectra for the low energy gamma-rays from inelastic scattering. (author)

  16. Neutron and gamma-ray spectra of 239PuBe and 241AmBe

    International Nuclear Information System (INIS)

    Vega-Carrillo, H.R.; Manzanares-Acuna, Eduardo; Becerra-Ferreiro, A.M.; Carrillo-Nunez, Aureliano

    2002-01-01

    Neutron and gamma-ray spectra of 239 PuBe and 241 AmBe were measured and their dosimetric features were calculated. Neutron spectra were measured using a multisphere neutron spectrometer with a 6 LiI(Eu) scintillator. The 239 PuBe neutron spectrum was measured in an open environment, while the 241 AmBe neutron spectrum was measured in a closed environment. Gamma-ray spectra were measured using a NaI(Tl) scintillator using the same experimental conditions for both sources. The effect of measuring conditions for the 241 AmBe neutron spectrum indicates the presence of epithermal and thermal neutrons. The low-resolution neutron spectra obtained with the multisphere spectrometer allows one to calculate the dosimetric features of neutron sources. At 100 cm both sources produce approximately the same count rate as that of the 4.4 MeV gamma-ray per unit of alpha emitter activity

  17. Program package for processing energy spectra of gamma radiation

    International Nuclear Information System (INIS)

    Stejskalova, E.

    1985-01-01

    A library of programs for processing energy spectra of nuclear radiation using an ICL 4-72 computer is described. The library is available at the computer centre of the Prague universities and bears the acronym JADSPE. The programs perform the computation of positions, areas and half-widths of lines in the energy spectrum of the radiation, they give a graphic representation of the course of energy spectra on the printer and on the CALCOMP recorder; they also perform the addition or subtraction of energy spectra with possible aligning of the beginnings or ends of the spectra or of maximums of chosen lines. A model function in the form of a symmetric Gaussian function is used for the computation of parameters of spectral lines, and the variation of the background with energy is assumed to be linear. (author)

  18. ZZ TPASGAM-85, Gamma Spectra Data Library for Activation Analysis

    International Nuclear Information System (INIS)

    1995-01-01

    Description of program or function: Format: for use with RSIC code package PSR-164/TPASS. Nuclides: 1438 radionuclides; Origin: Recently-published results and also from Nuclear Data Sheets and Atomic Data and Nuclear Data Tables. The TPASGAM data library contains gamma-ray decay information for 1438 radionuclides. The data consist of gamma-ray energies and intensities as well as cross section information useful in activation analysis. This compilation of radionuclide decay data contains, for those radionuclides tabulated, all necessary data for qualitatively and quantitatively measuring the concentration of photon emitting radionuclides as well as conducting activation analyses using gamma-ray spectrometry. It was developed specifically for use with RSIC code package PSR-164/TPASS

  19. Computer model for calculating gamma-ray pulse-height spectra for logging applications

    International Nuclear Information System (INIS)

    Evans, M.L.

    1981-01-01

    A generalized computer model has been devised to simulate the emission, transport, and detection of natural gamma radiation from various logging environments. The model yields high-resolution gamma-ray pulse-height spectra that can be used to correct both gross gamma and spectral gamma-ray logs. The technique can help provide corrections to airborne and surface radiometric survey logs for the effects of varying altitude, formation composition, and overburden. Applied to borehole logging, the model can yield estimates of the effects of varying borehole fluid and casing attenuations, as well as varying formation porosity and saturation

  20. Automatic processing of gamma ray spectra employing classical and modified Fourier transform approach

    International Nuclear Information System (INIS)

    Rattan, S.S.; Madan, V.K.

    1994-01-01

    This report describes methods for automatic processing of gamma ray spectra acquired with HPGe detectors. The processing incorporated both classical and signal processing approach. The classical method was used for smoothing, detecting significant peaks, finding peak envelope limits and a proposed method of finding peak limits, peak significance index, full width at half maximum, detecting doublets for further analysis. To facilitate application of signal processing to nuclear spectra, Madan et al. gave a new classification of signals and identified nuclear spectra as Type II signals, mathematically formalized modified Fourier transform and pioneered its application to process doublet envelopes acquired with modern spectrometers. It was extended to facilitate routine analysis of the spectra. A facility for energy and efficiency calibration was also included. The results obtained by analyzing observed gamma-ray spectra using the above approach compared favourably with those obtained with SAMPO and also those derived from table of radioisotopes. (author). 15 refs., 3 figs., 3 tabs

  1. MSX-Basis program for analyzing of gamma radiation spectra

    International Nuclear Information System (INIS)

    Marin, E.; Hernandez, M.; Soto Moran, R.L.

    1992-01-01

    A MSX-Basic language program, called ESPEC-1, which provides a very flexible data reduction facility during gamma spectrum analysis applications, is described. The program provides the performance needed for demonstrative uses, and ease of operation for the laboratory classroom

  2. Dose Rate Determination from Airborne Gamma-ray Spectra

    DEFF Research Database (Denmark)

    Bargholz, Kim

    1996-01-01

    The standard method for determination of ground level dose rates from airborne gamma-ray is the integral count rate which for a constant flying altitude is assumed proportional to the dose rate. The method gives reasonably results for natural radioactivity which almost always has the same energy...

  3. MSX-Basis program for analyzing of gamma radiation spectra

    International Nuclear Information System (INIS)

    Soto Moran, R.L.; Marin, E.; Hernandez, M.

    1992-01-01

    A MSX-Basic language program, called ESPEC-2, which carries out the analytical evaluation of gamma spectrum and involves an smoothing routine, a zero area rectangular transform to locate peaks, and a Gaussian fitting technique for the peaks, is described. The program provides the performance needed for demonstrative uses, and ease of operation for the laboratory classroom

  4. Gamma-ray spectra from the age of the dinosaurs

    International Nuclear Information System (INIS)

    Johnson, M.W.

    1994-01-01

    Gamma-ray spectroscopy has been tested as a technique for assisting in the excavation of paleontological sites in the Morrison Formation of western New Mexico. Excavation of these sites is difficult, owing to remoteness and to environmental concerns that militate against wholesale removal of overburden. Various researchers have used remote-sensing techniques to attempt to locate sub-surface bone near known, exposed fossils, thereby to confine excavation to areas where success in finding bone is most likely. Bones accumulate uranium from surrounding rock during fossilization; accordingly, in-situ gamma-ray spectroscopy might serve to locate bone, by detecting the 609- and 1764-keV gamma rays from uranium daughters. Because of the high uranium content of fossils in the Morrison Formation, calculations suggest the feasibility of locating bone despite the presence of several cm of rock and soil overburden. Investigations at several sites with fossils of large sauropods have revealed increased count rates for the key gamma rays near exposed bone, possibly implying the presence of additional fossils beneath the surface of the ground. However, attempts to use spectroscopy inside shafts drilled into possible fossil-bearing rock have been less successful. Results are presented and prospects for additional work discussed

  5. Spectra of gamma-ray bursts at high energies

    International Nuclear Information System (INIS)

    Matz, S.M.

    1986-01-01

    Between 1980 February and 1983 August the Gamma-Ray Spectrometer (GRS) on the Solar Maximum Mission satellite (SMM) observed 71 gamma-ray bursts. These events form a representative subset of the class of classical gamma-ray bursts. Since their discovery more than 15 years ago, hundreds of gamma-ray bursts have been detected; however, most observations have been limited to an energy range of roughly 30 keV-1 MeV. The large sensitive area and spectral range of the GRS allow, for the first time, an investigation of the high energy (>1 MeV) behavior of a substantial number of gamma-ray bursts. It is found that high-energy emission is seen in a large fraction of all events and that the data are consistent with all bursts emitting to at least 5 MeV with no cut-offs. Further, no burst spectrum measured by GRS has a clear high-energy cut-off. The high-energy emission can be a significant part of the total burst energy on the average about 30% of the observed energy above 30 keV is contained in the >1 MeV photons. The fact that the observations are consistent with the presence of high-energy emission in all events implies a limit on the preferential beaming of high-energy photons, from any mechanism. Single-photon pair-production in a strong magnetic field produces such beaming; assuming that the low-energy emission is isotropic, the data imply an upper limit of 1 x 10 12 G on the typical magnetic field at burst radiation sites

  6. The gamma-ray spectra of 5-carbon alkane isomers in the positron annihilation process

    International Nuclear Information System (INIS)

    Ma, Xiaoguang; Zhu, Yinghao; Liu, Yang

    2016-01-01

    The gamma-ray spectra of pentane (C_5H_1_2) and its two isomers, i.e., 2-Methylbutane (CH_3C(CH_3)HC_2H_5) and 2,2-Dimethylpropane (C(CH_3)_4) have been studied theoretically in the present work. The recent experimental gamma-ray spectra of these three molecules show that they have the same Doppler shifts, although their molecular structures are dramatically different. In order to reveal why the gamma-ray spectra of these molecules are less sensitive to the molecular structures, the one-dimensional gamma-ray spectra and spherically averaged momentum (SAM) distributions, the two-dimensional angular correlation of annihilation radiation (ACAR), and the three-dimensional momentum distributions of the positron–electron pair are studied. The one-centered momentum distributions of the electrons are found to play more important role than the multi-centered coordinate distributions. The present theoretical predictions have confirmed the experimental findings for the first time. The dominance of the inner valence electrons in the positron–electron annihilation process has also been suggested in the present work. - Highlights: • The structure effects only play a minor role in the one-dimension gamma-ray spectra. • The present study further confirms the dominance of the inner valence electrons in the positron–electron annihilation process. • The momentum distributions of the electrons play more important role than the coordinate distributions.

  7. PWR and BWR spent fuel assembly gamma spectra measurements

    Energy Technology Data Exchange (ETDEWEB)

    Vaccaro, S. [European Commission, DG Energy, Directorate EURATOM Safeguards Luxembourg (Luxembourg); Tobin, S.J.; Favalli, A. [Los Alamos National Laboratory, Los Alamos, NM (United States); Grogan, B. [Oak Ridge National Laboratory, Oak Ridge (United States); Jansson, P. [Uppsala University, Uppsala (Sweden); Liljenfeldt, H. [Oak Ridge National Laboratory, Oak Ridge (United States); Mozin, V. [Lawrence Livermore National Laboratory, Livermore, CA (United States); Hu, J. [Oak Ridge National Laboratory, Oak Ridge (United States); Schwalbach, P. [European Commission, DG Energy, Directorate EURATOM Safeguards Luxembourg (Luxembourg); Sjöland, A. [Swedish Nuclear Fuel and Waste Management Company (SKB) (Sweden); Trellue, H.; Vo, D. [Los Alamos National Laboratory, Los Alamos, NM (United States)

    2016-10-11

    A project to research the application of nondestructive assay (NDA) to spent fuel assemblies is underway. The research team comprises the European Atomic Energy Community (EURATOM), embodied by the European Commission, DG Energy, Directorate EURATOM Safeguards; the Swedish Nuclear Fuel and Waste Management Company (SKB); two universities; and several United States national laboratories. The Next Generation of Safeguards Initiative–Spent Fuel project team is working to achieve the following technical goals more easily and efficiently than in the past using nondestructive assay measurements of spent fuel assemblies: (1) verify the initial enrichment, burnup, and cooling time of facility declaration; (2) detect the diversion or replacement of pins, (3) estimate the plutonium mass, (4) estimate the decay heat, and (5) determine the reactivity of spent fuel assemblies. This study focuses on spectrally resolved gamma-ray measurements performed on a diverse set of 50 assemblies [25 pressurized water reactor (PWR) assemblies and 25 boiling water reactor (BWR) assemblies]; these same 50 assemblies will be measured with neutron-based NDA instruments and a full-length calorimeter. Given that encapsulation/repository and dry storage safeguards are the primarily intended applications, the analysis focused on the dominant gamma-ray lines of {sup 137}Cs, {sup 154}Eu, and {sup 134}Cs because these isotopes will be the primary gamma-ray emitters during the time frames of interest to these applications. This study addresses the impact on the measured passive gamma-ray signals due to the following factors: burnup, initial enrichment, cooling time, assembly type (eight different PWR and six different BWR fuel designs), presence of gadolinium rods, and anomalies in operating history. To compare the measured results with theory, a limited number of ORIGEN-ARP simulations were performed.

  8. Application of Principal Component Analysis in Prompt Gamma Spectra for Material Sorting

    Energy Technology Data Exchange (ETDEWEB)

    Im, Hee Jung; Lee, Yun Hee; Song, Byoung Chul; Park, Yong Joon; Kim, Won Ho

    2006-11-15

    For the detection of illicit materials in a very short time by comparing unknown samples' gamma spectra to pre-programmed material signatures, we at first, selected a method to reduce the noise of the obtained gamma spectra. After a noise reduction, a pattern recognition technique was applied to discriminate the illicit materials from the innocuous materials in the noise reduced data. Principal component analysis was applied for a noise reduction and pattern recognition in prompt gamma spectra. A computer program for the detection of illicit materials based on PCA method was developed in our lab and can be applied to the PGNAA system for the baggage checking at all ports of entry at a very short time.

  9. Delin and Delog codes for graphic representation of gamma ray spectra

    International Nuclear Information System (INIS)

    Travesi, A.; Romero, L.

    1983-01-01

    Two FORTRAN IV Codes have been developed for graphic representation of the gamma-ray spectra obtained with GeLi detectors and multichannel analyzers. The graphic plotting is carried out with the H.P. Graphic Plotter Mod HP-7221 A, using the graphic package software GRAPHICS-1000 from Hewlett-Packard. The codes have a great versatility and the representation of gamma spectra can be done in a lineal, semilog, or log-log scale, as desired. The gamma ray spectra data are fed into the computer through magnetic tape or perforated paper tape. The different output options and complementary data are given in a conversational way through a terminal with TV display. Among the options that can be selected by the user are the following: 1) smoothing the spectra; 2) drawing the spectra point by point or continuous; 3) output drawing in 1, 2 or 4 sheets with automatic division of the energy scale; 4) overlapping of selected spectra regions in γ-scale ampliation with automatic printout of the region limits and ampliation factor; 5) printing spectra data and identifications of selected photopeaks. The codes can be employed with any computer using printing devices, HP-GRAPHICS 1000 software compatible, but are easily modified for another printing software since their modular structure with FORTRAN IV written subroutines. (author)

  10. DELIN and DELOG codes for graphic representation of gamma ray spectra

    International Nuclear Information System (INIS)

    Romero, L.; Travesi, A.

    1983-01-01

    Two Fortran IV Codes has been developed for graphic representation of the gamma-ray spectra obtained with Ge Li detectors and multichannel analyzers. The grafic plotting es carried out with the H.P. Graphic Plotter Mod HP-7221 A, using the graphic package software GRAPHICS-1000 from Hewlett-Packard. The codes have a great versatility and the representation of gamma spectra can ba done in a lineal, semi log, or log-log scale, as desired. The gamma ray spectra data are feed into the computer through magnetic tape or perfored paper tape. The different out-put options and complementary data are given in a conversational way through a terminal with T.V. displays. Among the options that can be selected by the user are the following: - smoothing the spectra - drawing the spectra point by point or continuous - out-put drawing an 1, 2, or 4 sheet with automatic division of the energy scale. - overlapping of selected spectra regions in Y scale ampliation with automatic print-out of the region limits and ampliation factor. - Printing spectra data and identifications of selected photo peaks. The codes can be employed with any computer using printing devices, HP-Graphics 1000 software compatible, but are easily modified for another printing software since their modular structure with Fortran IV written

  11. Photoelectron spectra and electronic structure of some spiroborate complexes

    Energy Technology Data Exchange (ETDEWEB)

    Vovna, V.I.; Tikhonov, S.A.; Lvov, I.B., E-mail: lvov.ib@dvfu.ru; Osmushko, I.S.; Svistunova, I.V.; Shcheka, O.L.

    2014-12-15

    Highlights: • The electronic structure of three spiroborate complexes—boron 1,2-dioxyphenylene β-diketonates has been investigated. • UV and X-ray photoelectron spectra have been interpreted. • DFT calculations have been used for interpretation of spectral bands. • The binding energy of nonequivalent carbon and oxygen atoms were measured. • The structure of X-ray photoelectron spectra of the valence electrons is in good agreement with the energies and composition of Kohn–Sham orbitals. - Abstract: The electronic structure of the valence and core levels of three spiroborate complexes – boron 1,2-dioxyphenylene β-diketonates – has been investigated by methods of UV and X-ray photoelectron spectroscopy and quantum chemical density functional theory. The ionization energy of π- and n-orbitals of the dioxyphenylene fragment and β-diketonate ligand were measured from UV photoelectron spectra. This made it possible to determine the effect of substitution of one or two methyl groups by the phenyl in diketone on the electronic structure of complexes. The binding energy of nonequivalent carbon and oxygen atoms were measured from X-ray photoelectron spectra. The results of calculations of the energy of the valence orbitals of complexes allowed us to refer bands observed in the spectra of the valence electrons to the 2s-type levels of carbon and oxygen.

  12. Measurement of gamma-ray multiplicity spectra and the alpha value for {sup 235}U resonances

    Energy Technology Data Exchange (ETDEWEB)

    Grigor` ev, Yu V [Institute of Physics and Power Engineering, Obninsk (Russian Federation); Georgiev, G P; Stanchik, Kh [Joint Inst. for Nuclear Research, Dubna (Russian Federation)

    1997-06-01

    Gamma spectra from 1 to 12 multiplicity were measured on th 500 m flight path of the IBR-30 reactor using a 16-section 32 L NaI(Tl) crystal scintillation detector able to hold 2 metallic samples of 90% {sup 235}U and 10% {sup 238}U 0.00137 atoms/b and 0.00411 atoms/b thick. Multiplicity spectra were obtained for resolved resonances in the E = 1-150 eV energy region. They were used to determine the value of {alpha} = {sigma}{sub {gamma}}/{sigma}{sub f} for 165 resonances of {sup 235}U. (author). 6 refs, 7 figs, 1 tab.

  13. Study of different filtering techniques applied to spectra from airborne gamma spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Wilhelm, Emilien; Gutierrez, Sebastien; Reboli, Anne; Menard, Stephanie; Nourreddine, Abdel-Mjid [Commissariat a l' Energie Atomique et aux energies alternatives - CEA, DAM, DIF F-91297 Arpajon (France); Arbor, Nicolas [Institut Pluridisciplinaire Hubert Curien, UMR 7178 Universite de Strasbourg-CNRS, 23 rue du Loess, BP 28, F-67037 Strasbourg Cedex 2 (France)

    2015-07-01

    One of the features of spectra obtained by airborne gamma spectrometry is low counting statistics due to the short acquisition time (1 s) and the large source-detector distance (40 m). It leads to considerable uncertainty in radionuclide identification and determination of their respective activities from the windows method recommended by the IAEA, especially for low-level radioactivity. The present work compares the results obtained with filters in terms of errors of the filtered spectra with the window method and over the whole gamma energy range. The results are used to determine which filtering technique is the most suitable in combination with some method for total stripping of the spectrum. (authors)

  14. A distribution-free test for anomalous gamma-ray spectra

    International Nuclear Information System (INIS)

    Chan, Kung-sik; Li, Jinzheng; Eichinger, William; Bai, Er-Wei

    2014-01-01

    Gamma-ray spectra are increasingly acquired in monitoring cross-border traffic, or in an area search for lost or orphan special nuclear material (SNM). The signal in such data is generally weak, resulting in poorly resolved spectra, thereby making it hard to detect the presence of SNM. We develop a new test for detecting anomalous spectra by characterizing the complete shape change in a spectrum from background radiation; the proposed method may serve as a tripwire for routine screening for SNM. We show that, with increasing detection time, the limiting distribution of the test is given by some functional of the Brownian bridge. The efficacy of the proposed method is illustrated by simulations. - Highlights: • We develop a new non-parametric test for detecting anomalous gamma-ray spectra. • The proposed test has good empirical power for detecting weak signals. • It can serve as an effective tripwire for invoking more thorough scrutiny of the source

  15. Simulation of Neutron-Induced Prompt Gamma-ray Spectra Emitted from Fake Tungsten Gold Bar

    Energy Technology Data Exchange (ETDEWEB)

    Lee, K. M.; Sum, G. M. [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2016-10-15

    Fake gold bars on the market cannot be identified easily without testing because they have the same appearance as a pure gold bar. A non-destructive monitoring method is needed to avoid the trading of fake gold bars on the market. The ultimate goal of this study is to find a fake gold bar detection method using a PGAA (Prompt Gamma Activation Analysis). Using existing data, the number of neutron capture for gold and tungsten in fake tungsten gold bar was calculated and a Monte Carlo simulation for the prompt neutron-induced gamma-ray spectra was conducted. A simulation for neutron-induced prompt gamma-rays spectra when a neutron beam is irradiated onto pure and fake gold bars was successfully conducted. Through a comparison between the prompt gamma-ray spectra of the pure gold bar and those of the fake gold bar, it was concluded that the observation of prompt high-energy gamma-rays from tungsten or a reduction of prompt gamma-rays from gold can be evidence of a fake gold bar. The possibility for detecting a fake gold bar using a PGAA facility was verified.

  16. Simulation of Neutron-Induced Prompt Gamma-ray Spectra Emitted from Fake Tungsten Gold Bar

    International Nuclear Information System (INIS)

    Lee, K. M.; Sum, G. M.

    2016-01-01

    Fake gold bars on the market cannot be identified easily without testing because they have the same appearance as a pure gold bar. A non-destructive monitoring method is needed to avoid the trading of fake gold bars on the market. The ultimate goal of this study is to find a fake gold bar detection method using a PGAA (Prompt Gamma Activation Analysis). Using existing data, the number of neutron capture for gold and tungsten in fake tungsten gold bar was calculated and a Monte Carlo simulation for the prompt neutron-induced gamma-ray spectra was conducted. A simulation for neutron-induced prompt gamma-rays spectra when a neutron beam is irradiated onto pure and fake gold bars was successfully conducted. Through a comparison between the prompt gamma-ray spectra of the pure gold bar and those of the fake gold bar, it was concluded that the observation of prompt high-energy gamma-rays from tungsten or a reduction of prompt gamma-rays from gold can be evidence of a fake gold bar. The possibility for detecting a fake gold bar using a PGAA facility was verified

  17. The deconvolution of complex spectra by artificial immune system

    Science.gov (United States)

    Galiakhmetova, D. I.; Sibgatullin, M. E.; Galimullin, D. Z.; Kamalova, D. I.

    2017-11-01

    An application of the artificial immune system method for decomposition of complex spectra is presented. The results of decomposition of the model contour consisting of three components, Gaussian contours, are demonstrated. The method of artificial immune system is an optimization method, which is based on the behaviour of the immune system and refers to modern methods of search for the engine optimization.

  18. Modeling a gamma spectroscopy system and predicting spectra with Geant-4

    International Nuclear Information System (INIS)

    Sahin, D.; Uenlue, K.

    2009-01-01

    An activity predictor software was previously developed to foresee activities, exposure rates and gamma spectra of activated samples for Radiation Science and Engineering Center (RSEC), Penn State Breazeale Reactor (PSBR), Neutron Activation Analysis (NAA) measurements. With Activity Predictor it has been demonstrated that the predicted spectra were less than satisfactory. In order to obtain better predicted spectra, a new detailed model for the RSEC NAA spectroscopy system with High Purity Germanium (HPGe) detector is developed using Geant-4. The model was validated with a National Bureau of Standards certified 60 Co source and tree activated high purity samples at PSBR. The predicted spectra agreed well with measured spectra. Error in net photo peak area values were 8.6-33.6%. Along with the previously developed activity predictor software, this new model in Geant-4 provided realistic spectra prediction for NAA experiments at RSEC PSBR. (author)

  19. Simulation of prompt gamma rays spectra: calibration for pollutants determination in voluminous samples

    International Nuclear Information System (INIS)

    Khelifi, R.; Idiri, Z.; Amokrane, A.; Bode, P.

    2006-01-01

    A PGNAA facility using Am-Be source has been developed with the aim of analyzing the major composition of various elements in aqueous samples. A program of simulation for gamma rays spectra was developed to estimate the detection limits of pollutants. The background line under photo peaks of interest was simulated using experimental data. The reliability of the program was checked under real conditions with solutions containing various salt concentrations. Experimental and simulated spectra were found to be in good agreement. (author)

  20. Conversion of Airborne Gamma ray Spectra to Ground Level Air Kerma Rates

    DEFF Research Database (Denmark)

    Bargholz, Kim; Korsbech, Uffe C C

    1997-01-01

    A new method for relating airborne gamma-ray spectra to dose rates and kerma rates at ground level is presented. Dependent on flying altitude 50 m to 125 m the method gives correct results for gamma energies above 250 keV respective 350 keV. At lower energies the method underestimate the dose...... or kerma rates; by having a large fraction of the ground level gamma-rays at energies below 350 keV special care should be taken at an interpretation of the results....

  1. Measurement and calculation of characteristic prompt gamma ray spectra emitted during proton irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Polf, J C; Peterson, S; Beddar, S [M D Anderson Cancer Center, Univeristy of Texas, Houston, TX 77030 (United States); McCleskey, M; Roeder, B T; Spiridon, A; Trache, L [Cyclotron Institute, Texas A and M University, College Station, TX 77843 (United States)], E-mail: jcpolf@mdanderson.org

    2009-11-21

    In this paper, we present results of initial measurements and calculations of prompt gamma ray spectra (produced by proton-nucleus interactions) emitted from tissue equivalent phantoms during irradiations with proton beams. Measurements of prompt gamma ray spectra were made using a high-purity germanium detector shielded either with lead (passive shielding), or a Compton suppression system (active shielding). Calculations of the spectra were performed using a model of both the passive and active shielding experimental setups developed using the Geant4 Monte Carlo toolkit. From the measured spectra it was shown that it is possible to distinguish the characteristic emission lines from the major elemental constituent atoms (C, O, Ca) in the irradiated phantoms during delivery of proton doses similar to those delivered during patient treatment. Also, the Monte Carlo spectra were found to be in very good agreement with the measured spectra providing an initial validation of our model for use in further studies of prompt gamma ray emission during proton therapy. (note)

  2. Automated complex spectra processing of actinide α-radiation

    International Nuclear Information System (INIS)

    Anichenkov, S.V.; Popov, Yu.S.; Tselishchev, I.V.; Mishenev, V.B.; Timofeev, G.A.

    1989-01-01

    Earlier described algorithms of automated processing of complex α - spectra of actinides with the use of Ehlektronika D3-28 computer line, connected with ICA-070 multichannel amplitude pulse analyzer, were realized. The developed program enables to calculated peak intensity and the relative isotope content, to conduct energy calibration of spectra, to calculate peak center of gravity and energy resolution, to perform integral counting in particular part of the spectrum. Error of the method of automated processing depens on the degree of spectrum complication and lies within the limits of 1-12%. 8 refs.; 4 figs.; 2 tabs

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

    International Nuclear Information System (INIS)

    Deshmukh, Nikhil; Prinke, Amanda; Miller, Brian; McIntyre, Justin

    2017-01-01

    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 newer algorithms can be better than the ones currently used.

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

    International Nuclear Information System (INIS)

    Deshmukh, Nikhil; Prinke, Amanda; Miller, Brian; McIntyre, Justin

    2017-01-01

    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 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 newer algorithms can be better than the ones currently used. (author)

  5. Plutonium isotopic determination from gamma-ray spectra

    International Nuclear Information System (INIS)

    Skourikhine, A.N.; Strittmatter, R.B.; Zardecki, A.

    1998-01-01

    The use of low- and medium-resolution room-temperature detectors for the nondestructive assay of nuclear materials has widespread applications to the safeguarding of nuclear materials. The challenge to using these detectors is the inherent difficulty of the spectral analysis to determine the amount of specific nuclear materials in the measured samples. This is especially true for extracting plutonium isotopic content from low- and medium-resolution spectral lines that are not well resolved. In this paper, neural networks trained by stochastic and singular value decomposition algorithms are applied to retrieve the plutonium isotopic content from a simulated NaI spectra. The simulated sample consists of isotopes 238 Pu, 239 Pu, 240 Pu, 241 Pu, 242 Pu, and 241 Am. It is demonstrated that the neutral network optimized by singular value decomposition (SVD) and stochastic training algorithms is capable of estimating plutonium content consistently resulting in an average error much smaller than the error previously reported

  6. Simple emergent power spectra from complex inflationary physics

    Energy Technology Data Exchange (ETDEWEB)

    Dias, Mafalda; Frazer, Jonathan [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Marsh, M.C. David [Cambridge Univ. (United Kingdom). Dept. of Applied Mathematics and Theoretical Physics (DAMTP)

    2016-04-15

    We construct ensembles of random scalar potentials for N{sub f} interacting scalar fields using non-equilibrium random matrix theory, and use these to study the generation of observables during small-field inflation. For N{sub f}=O(few), these heavily featured scalar potentials give rise to power spectra that are highly non-linear, at odds with observations. For N{sub f}>>1, the superhorizon evolution of the perturbations is generically substantial, yet the power spectra simplify considerably and become more predictive, with most realisations being well approximated by a linear power spectrum. This provides proof of principle that complex inflationary physics can give rise to simple emergent power spectra. We explain how these results can be understood in terms of large N{sub f} universality of random matrix theory.

  7. Simple emergent power spectra from complex inflationary physics

    International Nuclear Information System (INIS)

    Dias, Mafalda; Frazer, Jonathan; Marsh, M.C. David

    2016-04-01

    We construct ensembles of random scalar potentials for N f interacting scalar fields using non-equilibrium random matrix theory, and use these to study the generation of observables during small-field inflation. For N f =O(few), these heavily featured scalar potentials give rise to power spectra that are highly non-linear, at odds with observations. For N f >>1, the superhorizon evolution of the perturbations is generically substantial, yet the power spectra simplify considerably and become more predictive, with most realisations being well approximated by a linear power spectrum. This provides proof of principle that complex inflationary physics can give rise to simple emergent power spectra. We explain how these results can be understood in terms of large N f universality of random matrix theory.

  8. Experiences With Area Specific Spectrum Stripping of Nai(Tl) Gamma Spectra

    DEFF Research Database (Denmark)

    Aage, Helle Karina; Korsbech, Uffe C C; Bargholz, Kim

    2006-01-01

    Abstract Processing of airborne and carborne gamma-ray spectra (AGS and CGS) often includes the stripping (elimination) of the signals from natural radioactivity. Hereby the net result becomes the signals from manmade radioactivity or other radiation anomalies. The parameters needed for spectrum ...

  9. Gamma ray spectra recorded from the fallout collected in May 1986

    International Nuclear Information System (INIS)

    Cristu, M.I.

    1987-07-01

    An analysis of the gamma ray spectra recorded from the fallout collective in Bucharest and Brasov in May, 1986 was carried out. Relative activities of the assigned radionuclides were computed and the duration of the 235 U fuel irradiation has been deduced. (author)

  10. Least square fitting of low resolution gamma ray spectra with cubic B-spline basis functions

    International Nuclear Information System (INIS)

    Zhu Menghua; Liu Lianggang; Qi Dongxu; You Zhong; Xu Aoao

    2009-01-01

    In this paper, the least square fitting method with the cubic B-spline basis functions is derived to reduce the influence of statistical fluctuations in the gamma ray spectra. The derived procedure is simple and automatic. The results show that this method is better than the convolution method with a sufficient reduction of statistical fluctuation. (authors)

  11. gamma-ray spectra measurements for long cooled MOX spent fuels

    International Nuclear Information System (INIS)

    Murakami, Kiyonobu; Kobayashi, Iwao

    1993-09-01

    Gamma-ray spectra of spent fuels have important informations in the estimation of burnup rate, concentration of fission products, cooling time and etc. which are required in the fuel loading control of reactors and special nuclear materials accountancy from the view point of safe guard. Although, some available data are given about uranium dioxide fuels, few data are given about uranium and plutonium dioxide mixtures (MOX fuels). Especially, there is few data about MOX fuels which are irradiated in thermal reactors and cooled more than ten years. Gamma-ray spectra are measured for PuO 2 -UO 2 fuel rods (IFA-159, IFA-160) which are irradiated at HBWR in Norway up to 9,420 and 5,340MWd/t respectively. Gamma-ray spectra had been measured about the two fuels ten years ago at the spent fuel pond of Japan Demonstration Reactor (JPDR). The objectives of this measurement is to know how decayed the gamma-ray spectra in these ten years and some fission products are there which are effective to estimate burnup rate of spent MOX fuels. (author)

  12. Portable computer to reduce gamma-ray spectra for plutonium isotopic ratios

    International Nuclear Information System (INIS)

    Ruhter, W.D.; Camp, D.C.

    1981-01-01

    In response to Task A.63 of the International Safeguards Project Office (ISPO), to upgrade measurement technology used by the International Atomic Energy Agency (IAEA), a portable data-reduction microprocessor was designed and programmed which allows in-field reduction of gamma-ray spectra and interfaces with the IAEA's multichannel analyzers - the 1000 or 2000-channel memory Silena BS27/N. This report describes the components used in assembling the microprocessor unit: hardware, software used to control the unit, and the mathematical formulation used to obtain isotopic ratios from the gamma-ray data. A simple overview is presented of the unit's operation and the results of tests on gamma-ray spectra that sought to verify the unit's operating characteristics and to determine the precision and effectiveness of the software developed for data reduction

  13. An MS-DOS-based program for analyzing plutonium gamma-ray spectra

    International Nuclear Information System (INIS)

    Ruhter, W.D.; Buckley, W.M.

    1989-01-01

    A plutonium gamma-ray analysis system that operates on MS-DOS-based computers has been developed for the International Atomic Energy Agency (IAEA) to perform in-field analysis of plutonium gamma-ray spectra for plutonium isotopics. The program titled IAEAPU consists of three separate applications: a data-transfer application for transferring spectral data from a CICERO multichannel analyzer to a binary data file, a data-analysis application to analyze plutonium gamma-ray spectra, for plutonium isotopic ratios and weight percents of total plutonium, and a data-quality assurance application to check spectral data for proper data-acquisition setup and performance. Volume 3 contains the software listings for these applications

  14. An MS-DOS-based program for analyzing plutonium gamma-ray spectra

    International Nuclear Information System (INIS)

    Ruhter, W.D.; Buckley, W.M.

    1989-01-01

    A plutonium gamma-ray analysis system that operates on MS-DOS-based computers has been developed for the International Atomic Energy Agency (IAEA) to perform in-field analysis of plutonium gamma-ray spectra for plutonium isotopics. The program titled IAEAPU consists of three separate applications: (1) a data-transfer application for transferring spectral data from a CICERO multichannel analyzer to a binary data file, (2) a data-analysis application to analyze plutonium gamma-ray spectra for plutonium isotopic ratios and weight percents of total plutonium, (3) and a data-quality assurance application to check spectral data for proper data-acquisition setup and performance. Volume 2 describes the operations of these applications and the installation and maintenance of the software

  15. Utilizing experimentally derived multi-channel gamma-ray spectra for the analysis of airborne data

    International Nuclear Information System (INIS)

    Grasty, R.L.

    1982-01-01

    Gamma-ray spectra derived from measurements on radioactive concrete calibration pads using plywood sheets to simulate the attenuation effect of air have been successfully tested on airbone data. Cesium-137 at 662 keV, from atomic weapons tests was found to contribute significantly to the airborne spectrum. By fitting the experimental spectra, above the cesium energy, to airborne data, significant increases in accuracy were obtained for the measurement of uranium and thorium, compared to the standard 3-window method. By including a cesium spectrum is the analysis of gamma-ray data from a survey carried out in Saskatchewan, it was found that background radiation due to atmospheric bismuth-214 could be measured more reliably than by using a constant over-water background. Similar results were obtained by monitoring low energy lead-214 gamma-rays at 352 keV

  16. Decomposition of continuum {gamma}-ray spectra using synthesized response matrix

    Energy Technology Data Exchange (ETDEWEB)

    Jandel, M.; Morhac, M.; Kliman, J.; Krupa, L.; Matousek, V. E-mail: vladislav.matousek@savba.sk; Hamilton, J.H.; Ramayya, A.V

    2004-01-01

    The efficient methods of decomposition of {gamma}-ray spectra, based on the Gold algorithm, are presented. They use a response matrix of Gammasphere, which was obtained by synthesis of simulated and interpolated response functions using a new developed interpolation algorithm. The decomposition method has been applied to the measured spectra of {sup 152}Eu and {sup 56}Co. The results show a very effective removal of the background counts and their concentration into the corresponding photopeaks. The peak-to-total ratio in the spectra achieved after applying the decomposition method is in the interval 0.95-0.99. In addition, a new advanced algorithm of the 'boosted' decomposition has been proposed. In the spectra obtained after applying the boosted decomposition to the measured spectra, very narrow photopeaks are observed with the counts concentrated to several channels.

  17. Distribution of iron and titanium on the lunar surface from lunar prospector gamma ray spectra

    International Nuclear Information System (INIS)

    Prettyman, T.H.; Feldman, W.C.; Lawrence, David J.; Elphic, R.C.; Gasnault, O.M.; Maurice, S.; Moore, K.R.; Binder, A.B.

    2001-01-01

    Gamma ray pulse height spectra acquired by the Lunar Prospector (LP) Gamma-Ray Spectrometer (GRS) contain information on the abundance of major elements in the lunar surface, including O, Si, Ti, Al, Fe, Mg, Ca, K, and Th. With the exception of Th and K, prompt gamma rays produced by cosmic ray interactions with surface materials are used to determine elemental abundance. Most of these gamma rays are produced by inelastic scattering of fast neutrons and by neutron capture. The production of neutron-induced gamma rays reaches a maximum deep below the surface (e.g. ∼140 g/cm 2 for inelastic scattering and ∼50 g/cm 2 for capture). Consequently, gamma rays sense the bulk composition of lunar materials, in contrast to optical methods (e.g. Clementine Spectral Reflectance (CSR)), which only sample the top few microns. Because most of the gamma rays are produced deep beneath the surface, few escape unscattered and the continuum of scattered gamma rays dominates the spectrum. In addition, due to the resolution of the spectrometer, there are few well-isolated peaks and peak fitting algorithms must be used to deconvolve the spectrum in order to determine the contribution of individual elements.

  18. 93Tc and sup(93m)Tc gamma spectra

    International Nuclear Information System (INIS)

    Podkopaev, Yu.N.; Zarubin, P.P.; Kobelev, V.F.; Padalko, V.Yu.; Khrisanfov, Yu.V.

    1977-01-01

    The sup(93,93m)Tc decay was studied. The spectra of γ-rays accompanying the decay of this nuclide were studied. 93 Tc and sup(93m)Tc were obtained in the (dn)-reaction on 92 Mo. To ensure a more reliable identification of γ-rays, the isotopic composition of the targets, the bombardment time, the energy of the bombarding deuterons (5-12 MeV) and the spectrum processing program were varied. The energies and relative intensities of the γ-rays of the 93 Tc and sup(93m)Tc decay are listed in tables together with data of other investigatxons. The results obtained largely confirm the known data. Four new transitions were added in the sup(93m)Tc spectrum namely 1046.8, 2011.8, 2182.0, and 2861.5 keV. The 2739.0 keV transition was eliminated from the 93 Tc spectrum. The appropriate changes and additions were made in the 93 Tc decay scheme, and three new levels were introduced: 2479.0, 2821.7, and 3025.8 keV. The values of log ft of some levels of 93 Tc were estimated

  19. Advanced gamma spectrum processing technique applied to the analysis of scattering spectra for determining material thickness

    International Nuclear Information System (INIS)

    Hoang Duc Tam; VNUHCM-University of Science, Ho Chi Minh City; Huynh Dinh Chuong; Tran Thien Thanh; Vo Hoang Nguyen; Hoang Thi Kieu Trang; Chau Van Tao

    2015-01-01

    In this work, an advanced gamma spectrum processing technique is applied to analyze experimental scattering spectra for determining the thickness of C45 heat-resistant steel plates. The single scattering peak of scattering spectra is taken as an advantage to measure the intensity of single scattering photons. Based on these results, the thickness of steel plates is determined with a maximum deviation of real thickness and measured thickness of about 4 %. Monte Carlo simulation using MCNP5 code is also performed to cross check the results, which yields a maximum deviation of 2 %. These results strongly confirm the capability of this technique in analyzing gamma scattering spectra, which is a simple, effective and convenient method for determining material thickness. (author)

  20. Infrared spectra of hexamethylbenzene—tetracyanoethylene complexes at high pressures

    Science.gov (United States)

    Yamada, Haruka; Saheki, Masao

    Infrared spectra of hexamethylbenzene(HMB)—tetracyanoethylene(TCNE), 1:1 and 2:1, complexes were measured under high pressures, 11˜4,000 bar. It was found that the CC stretching (A g) band of TCNE became much stronger at high pressures than at 1 bar and that the intensity increase of this band was especially large for both of the complexes. Based on these facts the strong appearance of the CC band at 1 bar, which is inconsistent with the symmetry consideration derived from X-ray analysis, can be discussed.

  1. ANA - a program for evaluation of gamma spectra from environmental samples

    International Nuclear Information System (INIS)

    Mishev, P.

    1993-01-01

    The program aims at for evaluation of gamma spectra, collected in different multichannel analyzers. It provides file format conversion from most popular file spectra formats. The program includes: spectra visualization; energy and shape calibration; efficiency calibration; automatic peak search; resolving of multiplets and peak calculations, based on program KATOK; isotope library; isotope identification and activity calculations. Three types of efficiency calibrations are possible: spline approximation; two branches logarithmic approximation; and polynomial approximation based on orthonormal polynomials. The suggestions of the International Atomic Energy Agency were taken into account in development of the algorithms. The program allows batch spectra processing appropriate for routine tasks and user controlled evaluations. Calculations of lower detection limits of some user defined isotopes are also possible. The program calculates precisely the statistical uncertainties of the final results. The error sources taken into account are: standard source activity errors, efficiency approximation errors and current measurement errors. (author)

  2. Preliminary report on an intercomparison of methods for processing Ge(Li) gamma-ray spectra

    International Nuclear Information System (INIS)

    Parr, R.M.; Houtermans, H.; Schaerf, K.

    1978-01-01

    An intercomparison has been organized by the IAEA for the purpose of evaluating methods for processing Ge(Li) gamma-ray spectra. These spectra cover an energy range of about 1MeV and, with one exception, contain only well separated single peaks; another spectrum contains double peaks with various relative intensities and degrees of overlap. The spectra were prepared in such a way that the areas and positions of all peaks, relative to a standard spectrum which is also provided, are known exactly. The intercomparison enables the user to test the ability of his methods (1) to detect small peaks near the limit of detectability; (2) to determine the position and area of more easily detectable peaks, and (3) to determine the position and area of overlapping double peaks. The method of preparation of the spectra and the organization of the intercomparison are described in this report. (author)

  3. Automatic storing of single gamma spectra on magnetic tape. Programs LONGO, DIRE; Automatizacion del almacenamiento en cinta magnetica de espectros gamma directos. Programas LONGO, DIRE

    Energy Technology Data Exchange (ETDEWEB)

    Los Arcos Merino, J M

    1978-07-01

    The program LONGO provides the block size and the block number in a binary file on magnetic tape. It has been applied to analyse the structure of the nine-track magnetic tapes storing single or coincidence gamma spectra files, recorded in octet form by a MULTI-8 minicomputer in the Nuclear Spectrometry Laboratory of J.E.N. Then the program DIRE has been written to transform the single gamma spectra into a new FASTRAND disk file, storing the information in-36 bit words. A copy of this file is obtained on magnetic tape and the single gamma spectra are then available by standard FORTRAN V reading sentences. (Author) 3 refs.

  4. Catalogue of response spectra for unfolding in situ gamma-ray pulse-height distributions

    International Nuclear Information System (INIS)

    Dymke, N.

    1982-01-01

    To unfold in situ gamma-ray pulse-height distributions by means of a response matrix technique, the matrix must be in keeping with the measurement geometry, detector size, and energy range to be covered by the measurements. A methodology has been described for determination of standard gamma-ray spectra needed in deriving response matrices and a spectrum catalogue compiled containing graphs and data for the 0-3 MeV (4 x 4 in. NaI(Tl)) and 0-8 MeV (1.5 x 1.5 in. NaI(Tl)) ranges. (author)

  5. Simulation of Prompt gamma-rays spectra: Calibration for water tables pollutants determination

    International Nuclear Information System (INIS)

    Khelifi, R.; Idiri, Z.; Amokrane, A.; Bode, P.

    2006-01-01

    Full text of publication follows: A PGNAA facility using Am-Be source has been developed with the aim of analyzing the major composition of various elements in aqueous sample. A program of simulation for gamma rays spectra was developed to estimate the detection limits of pollutants. The background line under photo-peaks of interest was simulated by using experimental data. The reliability of the program is checked on real condition with solutions contained various salt concentration. Comparison between experimental and simulated spectra was found in good agreement. (authors)

  6. A nonlinear wavelet method for data smoothing of low-level gamma-ray spectra

    International Nuclear Information System (INIS)

    Gang Xiao; Li Deng; Benai Zhang; Jianshi Zhu

    2004-01-01

    A nonlinear wavelet method was designed for smoothing low-level gamma-ray spectra. The spectra of a 60 Co graduated radioactive source and a mixed soil sample were smoothed respectively according to this method and a 5 point smoothing method. The FWHM of 1,332 keV peak of 60 Co source and the absolute activities of 238 U of soil sample were calculated. The results show that the nonlinear wavelet method is better than the traditional method, with less loss of spectral peak and a more complete reduction of statistical fluctuation. (author)

  7. A simple method for conversion of airborne gamma-ray spectra to ground level doses

    DEFF Research Database (Denmark)

    Korsbech, Uffe C C; Bargholz, Kim

    1996-01-01

    A new and simple method for conversion of airborne NaI(Tl) gamma-ray spectra to dose rates at ground level has been developed. By weighting the channel count rates with the channel numbers a spectrum dose index (SDI) is calculated for each spectrum. Ground level dose rates then are determined...... by multiplying the SDI by an altitude dependent conversion factor. The conversion factors are determined from spectra based on Monte Carlo calculations. The results are compared with measurements in a laboratory calibration set-up. IT-NT-27. June 1996. 27 p....

  8. Least-squares resolution of gamma-ray spectra in environmental samples

    International Nuclear Information System (INIS)

    Kanipe, L.G.; Seale, S.K.; Liggett, W.S.

    1977-08-01

    The use of ALPHA-M, a least squares computer program for analyzing NaI (Tl) gamma spectra of environmental samples, is evaluated. Included is a comprehensive set of program instructions, listings, and flowcharts. Two other programs, GEN4 and SIMSPEC, are also described. GEN4 is used to create standard libraries for ALPHA-M, and SIMSPEC is used to simulate spectra for ALPHA-M analysis. Tests to evaluate the standard libraries selected for use in analyzing environmental samples are provided. An evaluation of the results of sample analyses is discussed

  9. The MeV spectra of gamma-ray bursts measured with COMPTEL

    International Nuclear Information System (INIS)

    Hoover, A.S.; Kippen, R.M.; McConnell, M.L.

    2005-01-01

    The past decade has produced a wealth of observational data on the energy spectra of prompt emission from gamma-ray bursts. Most of the data cover the energy range from a few to several hundred KeV. One set of higher energy observations comes from the Imaging Compton Telescope COMPTEL on the Compton Observatory, which measured in the energy range from 0.75 to 30 MeV. We analyzed the full 9.2 years COMPTEL data to reveal the significant detection of 44 gamma-ray bursts. We present preliminary results obtained in the process of preparing a final catalog of the spectral analysis of these events. In addiction, we compare the COMPTEL spectra to simultaneous BATSE measurements for purposes of cross-calibration

  10. VACTIV-DELPHI graphical dialog based program for the analysis of gamma-ray spectra

    International Nuclear Information System (INIS)

    Zlokazov, V.B.

    2002-01-01

    The program VACTIV - Visual ACTIV - has been developed for the analysis of gamma-ray spectra and is a standard graphical dialog based Windows XX application, driven by a menu, mouse and keyboard. On the one hand, it is a conversion of an existing Fortran program ACTIV to the DELPHI-5 language; on the other hand, it is a transformation of the sequential syntax of Fortran programming to a new object-oriented style, based on the organization of event interaction. Since VACTIV is seemingly the first attempt of applying the newest programming languages and styles to systems of spectrum analysis, the goal of its creation was both getting a convenient and efficient technique for data processing, their methods and events. Now the program is widely used for the processing of gamma-ray spectra in experiments on activation analysis

  11. Measurement of prompt fission gamma-ray spectra in fast neutron-induced fission

    International Nuclear Information System (INIS)

    Laborie, J.M.; Belier, G.; Taieb, J.

    2012-01-01

    Knowledge of prompt fission gamma-ray emission has been of major interest in reactor physics for a few years. Since very few experimental spectra were ever published until now, new measurements would be also valuable to improve our understanding of the fission process. An experimental method is currently being developed to measure the prompt fission gamma-ray spectrum from some tens keV up to 10 MeV at least. The mean multiplicity and total energy could be deduced. In this method, the gamma-rays are measured with a bismuth germanate (BGO) detector which has the advantage to present a high P/T ratio and a high efficiency compared to other gamma-ray detectors. The prompt fission neutrons are rejected by the time of flight technique between the BGO detector and a fission trigger given by a fission chamber or a scintillating active target. Energy and efficiency calibration of the BGO detector were carried out up to 10.76 MeV by means of the Al-27(p, gamma) reaction. First prompt fission gamma-ray spectrum measurements performed for the spontaneous fission of Cf-252 and for 1.7 and 15.6 MeV neutron-induced fission of U-238 at the CEA, DAM, DIF Van de Graaff accelerator, will be presented. (authors)

  12. Analysis of spectra from portable handheld gamma-ray spectrometry for terrain comparative assessment

    International Nuclear Information System (INIS)

    Dias, Flávio; Lima, Marco; Sanjurjo-Sánchez, Jorge; Alves, Carlos

    2016-01-01

    Geological characteristics can have impacts on societal development by, e.g., geotechnical issues and radiological hazard levels. Due to urban sprawl, there is an increasing need for detailed geological assessment. In this work are analysed data from portable handheld gamma-ray spectra (K, eU and eTh) obtained in granitic and Silurian metaclastic outcrops as well as in an profile, roughly N–S, on soil covered terrains transecting a mapped contact between these rock types (the profile's northern extremity is at locations mapped as granite). Estimations from gamma-ray spectra were studied by univariate and multivariate analyses. K, eU and eTh values were higher on granite in relation to Silurian metaclastic rocks. The northern extremity of the profile showed clearly higher contents of eTh and this contrast was supported by univariate statistical tools (normality plot and Wilk–Shapiro test; boxplots). A ternary plot with the contribution of the elements to gamma-ray absorbed dose showed the separation of granite from Silurian metaclastic rocks with the former being nearer the eTh vertex. The points in the northern extremity of the profile are nearer the eTh vertex than the other points on the profile. These visual suggestions were supported by hierarchical cluster analysis, which was able to differentiate between granite and metaclastic outcrops and separate portions of the profile located on different terrains. Portable gamma-ray spectrometry showed, hence, the potential to distinguish granite and metaclastic terrains at a scale useful for engineering works. These results can also be useful for a first comparative zoning of radiological hazards (which are higher for granite). - Highlights: • Contents of K, eU and eTh were estimated by portable gamma-ray spectra. • Spectra were acquired on a profile across a soil covered granite/metaclastic contact. • Spectra were also collected on granite and Silurian metaclastic outcrops. • Obtained estimations were

  13. Description of computer code PRINS, Program for Interpreting Gamma Spectra, developed at ENEA

    Energy Technology Data Exchange (ETDEWEB)

    Borsari, R. [ENEA, Centro Ricerche `E. Clementel`, Bologna (Italy). Dip. Energia

    1995-11-01

    The computer code PRINS, program for interpreting gamma Spectra, has been developed in collaboration with CENG/SECC (Centre Etude Nucleaire Grenoble / Service Etude Comportement du Combustible). Later it has been updated and improved at ENEA. Properties of the PRINS code are: (1) A powerful algorithm to locate the peaks; (2) An accurate evaluation of the errors; (3) Possibility of an automatic channels-energy calibration.

  14. Description of computer code PRINS, Program for Interpreting Gamma Spectra, developed at ENEA

    International Nuclear Information System (INIS)

    Borsari, R.

    1995-12-01

    The computer code PRINS, PRogram for INterpreting gamma Spectra, has been developed in collaboration with CENG/SECC (Centre Etude Nucleaire Grenoble / Service Etude Comportement du Combustible). Later it has been updated and improved at ENEA. Properties of the PRINS code are: I) A powerful algorithm to locate the peaks; 2) An accurate evaluation of the errors; 3) Possibility of an automatic channels-energy calibration

  15. Study of gamma ray multiplicity spectra for radiative capture of neutrons in 113,115In

    International Nuclear Information System (INIS)

    Georgiev, G.P.; Fajkov-Stanchik, Kh.; Grigor'ev, Yu.V.; Muradyan, G.V.; Yaneva, N.B.

    1997-08-01

    Neutron radiative capture measurements were performed for the enriched isotopes 113 In and 115 In on the neutron spectrometer at the Neutron Physics Laboratory of the Joint Institute for Nuclear Research employing the gamma ray multiplicity technique and using a ''Romashka'' multi-sectional 4p detector on the 500 m time base of the IBR-30 booster. The gamma multiplicity spectra of resolved resonances were obtained for the 20-500 eV energy range. The mean gamma ray multiplicity was determined for each resonance. The dependence of the ratio S of the low-energy coincidence multiplicity spectrum to the high-energy coincidence multiplicity spectrum on resonance energy exhibits a non-statistical structure. This structure was found to correlate with the local neutron strength function. (author). 10 refs, 6 figs, 2 tabs

  16. Prompt gamma-based neutron dosimetry for Am-Be and other workplace neutron spectra

    International Nuclear Information System (INIS)

    Udupi, Ashwini; Panikkath, Priyada; Sarkar, P.K.

    2016-01-01

    A new field-deployable technique for estimating the neutron ambient dose equivalent H*(10) by using the measured prompt gamma intensities emitted from borated high-density polyethylene (BHDPE) and the combination of normal HDPE and BHDPE with different configurations have been evaluated in this work. Monte Carlo simulations using the FLUKA code has been employed to calculate the responses from the prompt gammas emitted due to the monoenergetic neutrons interacting with boron, hydrogen, and carbon nuclei. A suitable linear combination of these prompt gamma responses (dose conversion coefficient (DCC)-estimated) is generated to approximate the International Commission on Radiological Protection provided DCC using the cross-entropy minimization technique. In addition, the shape and configurations of the HDPE and BHDPE combined system are optimized using the FLUKA code simulation results. The proposed method is validated experimentally, as well as theoretically, using different workplace neutron spectra with a satisfactory outcome. (author)

  17. An electronic interface for acquisition of 12 delayed gamma-gammacoincidence spectra

    International Nuclear Information System (INIS)

    Domienikan, Claudio

    2001-01-01

    An electronic interface has been constructed to be used m conjunctionwith a Time differential Perturbed gamma-gamma Angular Correlation (TDPAC)spectrometer with four BaF 2 detectors. The routing interface is speciallydesigned to work with the Ortec model ADCAM 920-16 multichannel analyzer(MCA) having 16 multiplexed inputs, permitting the simultaneous acquisitionof 12 delayed gamma-gamma coincidence spectra. This innovation provides aconsiderable reduction in the experimental data acquisition time and as aconsequence permits an improvement in the precision of the final results ofthe hyperfine parameters deduced from the TDPAC measurements. The interfaceconsists of two distinct electronic circuits. A novel high performance analogdemultiplexer circuit is used to address the linear pulses from the time toamplitude converter (TAC) to the corresponding MCA inputs, according to thepair of detectors responsible for the given gamma-gamma coincidence.Validation of the gamma-gamma coincidence and control of the analogdemultiplexer are realized by a digital circuit, consisting basically ofmonostable multivibrators and decoders of High-Speed CMOS Logic (HCT). Theperformance of the routing interface was evaluated through several testmeasurements which included the time resolution and linearity of the system,the quadrupolar interaction in 181 Ta(Hf), 181 Ta(HfO 2 ), 111 Cd(Cd)and 111 Cd(Pd) samples, and the hyperfine magnetic field in 181 'Ta(Ni), 11 '1Cd(Ni) and 140 Ce(Gd) samples. The results of the hyperfineinteraction measurements are discussed and compared with previous results andserve to demonstrate the correct and efficient performance of the constructedinterface. (author)

  18. The holistic analysis of gamma-ray spectra in instrumental neutron activation analysis

    International Nuclear Information System (INIS)

    Blaauw, M.

    1993-01-01

    The subject is the computerized analysis of the gamma-ray spectra in INAA. This analysis can be separated in three parts: The conversion of the spectra to information on γ-ray energies and their relative intensities (spectrum reduction), the determination of the relation between the intensity of a γ-ray and the amount of the corresponding element present in the sample (standardization) and the attribution of the γ-ray energies to the elements, including the subsequent computation of the amounts of the elements (interpretation). A γ-ray spectrum can be considered to be the linear sum of the γ-ray spectra of the individual radionuclides present in the sample. Knowing the relative activities of the different radionuclides that may be produced by activation of a single element, a γ-ray spectrum in INAA can also be considered to be the linear sum of the spectra of the elements. This principle has hitherto not been used in INAA to analyze the spectra by linear least squares methods, using all γ-ray energies observed in the spectrum. The implementation of this 'holistic' approach required that attention be paid to both spectrum reduction, standardization and interpretation. The thesis describes the methods developed for the holistic analysis of γ-ray spectra in INAA, and present results of experimental comparisons between the holistic and other approaches. (orig./HP)

  19. Comparison of background gamma-ray spectra between Los Alamos, New Mexico and Austin, Texas

    International Nuclear Information System (INIS)

    Horne, S.; Jackman, K.R.; Landsberger, S.

    2013-01-01

    Background counts in gamma-ray spectrometry are caused by a variety of sources. Among these are naturally occurring radioactive materials (NORM) in the environment, interactions from cosmic radiation, and contamination within the laboratory. High-purity germanium detectors were used to acquire long background spectra in Los Alamos, NM (elevation ∼7,300 feet) and Austin, TX (elevation ∼500 feet). This difference in elevation has a sizeable effect on background spectra due to cosmic interactions, such as (n,n') and (n,γ). Los Alamos also has a fairly high NORM concentration in the soil relative to Austin, and this gives way to various spectral interferences. When analyzing nuclear forensics samples, these background sources can have non-trivial effects on detection limits of low-level fission products. By accurately determining the influence that elevation and environment have on background spectra, interferences within various laboratory environments can be more accurately characterized. (author)

  20. One photopeaks' analysis of gamma spectra for the minimum square method through one data processing system

    International Nuclear Information System (INIS)

    Baez Pedrajo, A.B.

    1974-01-01

    The essence of the work is a computer program by which the gamma spectrum of a radioisotope mixture can be analysed in accordance with a library of spectra for the elements assumed to make up the mixture. The program forms a linear combination of standards by the method of least linear squares, analyses the spectrum obtained with respect to the original, and applies to the results the criteria of mean value, variance, standard deviation, γ 2 and its quotient ratio, and the correlation coefficient. The program, written in Fortran, has no limitations as regards the number of channels for each spectrum or the number of spectra, provided all spectra are compatible (same number of channels). As the experimental part of the work a numerical example is given and analysed in critical form to evaluate the suitability of the computer program. (author)

  1. Peak-by-peak correction of Ge(Li) gamma-ray spectra for photopeaks from background

    International Nuclear Information System (INIS)

    Cutshall, N.H.; Larsen, I.L.

    1980-01-01

    Background photopeaks can interfere with accurate measurement of low levels of radionuclides by gamma-ray spectrometry. A flowchart for peak-by-peak correction of sample spectra to produce accurate results is presented. (orig.)

  2. Peak-by-peak correction of Ge(Li) gamma-ray spectra for photopeaks from background

    Energy Technology Data Exchange (ETDEWEB)

    Cutshall, N H; Larsen, I L [Oak Ridge National Lab., TN (USA)

    1980-12-01

    Background photopeaks can interfere with accurate measurement of low levels of radionuclides by gamma-ray spectrometry. A flowchart for peak-by-peak correction of sample spectra to produce accurate results is presented.

  3. Spectral simplicity of apparent complexity. II. Exact complexities and complexity spectra

    Science.gov (United States)

    Riechers, Paul M.; Crutchfield, James P.

    2018-03-01

    The meromorphic functional calculus developed in Part I overcomes the nondiagonalizability of linear operators that arises often in the temporal evolution of complex systems and is generic to the metadynamics of predicting their behavior. Using the resulting spectral decomposition, we derive closed-form expressions for correlation functions, finite-length Shannon entropy-rate approximates, asymptotic entropy rate, excess entropy, transient information, transient and asymptotic state uncertainties, and synchronization information of stochastic processes generated by finite-state hidden Markov models. This introduces analytical tractability to investigating information processing in discrete-event stochastic processes, symbolic dynamics, and chaotic dynamical systems. Comparisons reveal mathematical similarities between complexity measures originally thought to capture distinct informational and computational properties. We also introduce a new kind of spectral analysis via coronal spectrograms and the frequency-dependent spectra of past-future mutual information. We analyze a number of examples to illustrate the methods, emphasizing processes with multivariate dependencies beyond pairwise correlation. This includes spectral decomposition calculations for one representative example in full detail.

  4. Absorption spectra analysis of hydrated uranium(III) complex chlorides

    Science.gov (United States)

    Karbowiak, M.; Gajek, Z.; Drożdżyński, J.

    2000-11-01

    Absorption spectra of powdered samples of hydrated uranium(III) complex chlorides of the formulas NH 4UCl 4 · 4H 2O and CsUCl 4 · 3H 2O have been recorded at 4.2 K in the 4000-26 000 cm -1 range. The analysis of the spectra enabled the determination of crystal-field parameters and assignment of 83 and 77 crystal-field levels for the tetrahydrate and trihydrate, respectively. The energies of the levels were computed by applying a simplified angular overlap model as well as a semiempirical Hamiltonian representing the combined atomic and crystal-field interactions. Ab initio calculations have enabled the application of a simplified parameterization and the determination of the starting values of the AOM parameters. The received results have proved that the AOM approach can quite well predict both the structure of the ground multiplet and the positions of the crystal-field levels in the 17 000-25 000 cm -1 range, usually obscured by strong f-d bands.

  5. Systematics of gamma-ray energy spectra for classification of workplaces around a nuclear facility

    International Nuclear Information System (INIS)

    Urabe, Itsumasa; Tsujimoto, Tadashi; Katsurayama, Kousuke

    1988-01-01

    Radiation dosimetry in workplaces has been carried out both for assurance of the doses complying with the acceptable values and for improvement of protection methods to minimise detriments of the exposed population. This means that it is very important not only to determine dosimetric quantities in workplaces but also to know features of radiation levels because information for radiation protection can often be derived from the radiometric quantities. Classification of workplaces based on the feature of gamma-ray energy spectra is one of the practical ways to realise radiation protection being taken into consideration of the radiometric quantities. Furthermore, demarcation of workplaces based on these radiometric quantities may be effective for improvement of radiation protection practice such as estimation of radiation doses, designing of radiation shields and other activities. From these points of view, gamma-ray energy spectra have been determined in various workplaces in nuclear facilities, and systematics of gamma-ray fields were tried for classification of workplaces on the basis of the feature appeared in health physical quantities such as effective dose equivalents and responses of dosemeters

  6. Reactions and mass spectra of complex particles using Aerosol CIMS

    Science.gov (United States)

    Hearn, John D.; Smith, Geoffrey D.

    2006-12-01

    Aerosol chemical ionization mass spectrometry (CIMS) is used both on- and off-line for the analysis of complex laboratory-generated and ambient particles. One of the primary advantages of Aerosol CIMS is the low degree of ion fragmentation, making this technique well suited for investigating the reactivity of complex particles. To demonstrate the usefulness of this "soft" ionization, particles generated from meat cooking were reacted with ozone and the composition was monitored as a function of reaction time. Two distinct kinetic regimes were observed with most of the oleic acid in these particles reacting quickly but with 30% appearing to be trapped in the complex mixture. Additionally, detection limits are measured to be sufficiently low (100-200 ng/m3) to detect some of the more abundant constituents in ambient particles, including sulfate, which is measured in real-time at 1.2 [mu]g/m3. To better characterize complex aerosols from a variety of sources, a novel off-line collection method was also developed in which non-volatile and semi-volatile organics are desorbed from particles and concentrated in a cold U-tube. Desorption from the U-tube followed by analysis with Aerosol CIMS revealed significant amounts of nicotine in cigarette smoke and levoglucosan in oak and pine smoke, suggesting that this may be a useful technique for monitoring particle tracer species. Additionally, secondary organic aerosol formed from the reaction of ozone with R-limonene and volatile organics from orange peel were analyzed off-line showing large molecular weight products (m/z > 300 amu) that may indicate the formation of oligomers. Finally, mass spectra of ambient aerosol collected offline reveal a complex mixture of what appears to be highly processed organics, some of which may contain nitrogen.

  7. Comparisons of peak-search and photopeak-integration methods in the computer analysis of gamma-ray spectra

    International Nuclear Information System (INIS)

    Baedecker, P.A.

    1980-01-01

    Myriad methods have been devised for extracting quantitative information from gamma-ray spectra by means of a computer, and a critical evaluation of the relative merits of the various programs that have been written would represent a Herculean, if not an impossible, task. The results from the International Atomic Energy Agency (IAEA) intercomparison, which may represent the most straightforward approach to making such an evaluation, showed a wide range in the quality of the results - even among laboratories where similar methods were used. The most clear-cut way of differentiating between programs is by the method used to evaluate peak areas: by the iterative fitting of the spectral features to an often complex model, or by a simple summation procedure. Previous comparisons have shown that relatively simple algorithms can compete favorably with fitting procedures, although fitting holds the greatest promise for the detection and measurement of complex peaks. However, fitting algorithms, which are generally complex and time consuming, are often ruled out by practical limitations based on the type of computing equipment available, cost limitations, the number of spectra to be processed in a given time period, and the ultimate goal of the analysis. Comparisons of methods can be useful, however, in helping to illustrate the limitations of the various algorithms that have been devised. This paper presents a limited review of some of the more common peak-search and peak-integration methods, along with Peak-search procedures

  8. The Imprint of the Extragalactic Background Light in the Gamma-Ray Spectra of Blazars

    Science.gov (United States)

    Ackermann, M.; Ajello, M.; Allafort, A.; Schady, P.; Baldini, L.; Ballet, J.; Barbiellini, G.; Bastieri, D.; Bellazzini, R; Blandford, R. D.; hide

    2012-01-01

    The light emitted by stars and accreting compact objects through the history of the universe is encoded in the intensity of the extragalactic background light (EBL). Knowledge of the EBL isimportant to understand the nature of star formation and galaxy evolution, but direct measurements of the EBL are limited by galactic and other foreground emissions. Here, we report an absorption feature seen in the combined spectra of a sample of gamma-ray blazars out to a redshift of z approx. 1.6. This feature is caused by attenuation of gamma rays by the EBL at optical to ultraviolet frequencies and allowed us to measure the EBL flux density in this frequency band.

  9. Analysis of MCNP simulated gamma spectra of CdTe detectors for boron neutron capture therapy.

    Science.gov (United States)

    Winkler, Alexander; Koivunoro, Hanna; Savolainen, Sauli

    2017-06-01

    The next step in the boron neutron capture therapy (BNCT) is the real time imaging of the boron concentration in healthy and tumor tissue. Monte Carlo simulations are employed to predict the detector response required to realize single-photon emission computed tomography in BNCT, but have failed to correctly resemble measured data for cadmium telluride detectors. In this study we have tested the gamma production cross-section data tables of commonly used libraries in the Monte Carlo code MCNP in comparison to measurements. The cross section data table TENDL-2008-ACE is reproducing measured data best, whilst the commonly used ENDL92 and other studied libraries do not include correct tables for the gamma production from the cadmium neutron capture reaction that is occurring inside the detector. Furthermore, we have discussed the size of the annihilation peaks of spectra obtained by cadmium telluride and germanium detectors. Copyright © 2017 Elsevier Ltd. All rights reserved.

  10. Galactic and extragalactic hydrogen in the X-ray spectra of Gamma Ray Bursts

    Science.gov (United States)

    Rácz, I. I.; Bagoly, Z.; Tóth, L. V.; Balázs, L. G.; Horváth, I.; Pintér, S.

    2017-07-01

    Two types of emission can be observed from gamma-ray bursts (GRBs): the prompt emission from the central engine which can be observed in gamma or X-ray (as a low energy tail) and the afterglow from the environment in X-ray and at shorter frequencies. We examined the Swift XRT spectra with the XSPEC software. The correct estimation of the galactic interstellar medium is very important because we observe the host emission together with the galactic hydrogen absorption. We found that the estimated intrinsic hydrogen column density and the X-ray flux depend heavily on the redshift and the galactic foreground hydrogen. We also found that the initial parameters of the iteration and the cosmological parameters did not have much effect on the fitting result.

  11. Analysis of plutonium gamma-ray spectra by small portable computers

    International Nuclear Information System (INIS)

    Ruhter, W.; Gunnink, R.; Camp, D.; DeCarolis, M.

    1985-01-01

    A sophisticated program for isotopic analysis of plutonium gamma-ray spectra using small computers has been developed. It is implemented on a DEC LSI-11/2 configured in a portable unit without a mass storage device for use by IAEA inspectors in the field. Only the positions of the 148-keV 241 Pu and 208-keV 237 U peaks are needed as input. Analysis is completed in 90 seconds by fitting isotopic component response functions to peak multiplets. 9 refs., 2 figs., 1 tab

  12. CASTHY, Statistical Model for Neutron Cross-Sections and Gamma-Ray Spectra

    International Nuclear Information System (INIS)

    Igarasi, Sin-iti; Fukahori, Tokio

    1998-01-01

    Description of program or function: CASTHY calculates neutron cross sections of total, shape elastic scattering and compound nucleus formation with the optical model, and compound elastic, inelastic and capture cross sections by the statistical model. The other cross sections, such as (n,2n), (n,p), (n,f) reactions are treated as cross sections of competing processes, and their sum is given through input data. Capture gamma-ray spectra can also be calculated. The branching ratio for primary transition can be treated in a particular way, if required

  13. Gamma ray energy loss spectra simulation in NaI detectors with the Monte Carlo method

    International Nuclear Information System (INIS)

    Vieira, W.J.

    1982-01-01

    With the aim of studying and applying the Monte Carlo method, a computer code was developed to calculate the pulse height spectra and detector efficiencies for gamma rays incident on NaI (Tl) crystals. The basic detector processes in NaI (Tl) detectors are given together with an outline of Monte Carlo methods and a general review of relevant published works. A detailed description of the application of Monte Carlo methods to ν-ray detection in NaI (Tl) detectors is given. Comparisons are made with published, calculated and experimental, data. (Author) [pt

  14. The use of difference spectra with a filtered rolling average background in mobile gamma spectrometry measurements

    International Nuclear Information System (INIS)

    Cresswell, A.J.; Sanderson, D.C.W.

    2009-01-01

    The use of difference spectra, with a filtering of a rolling average background, as a variation of the more common rainbow plots to aid in the visual identification of radiation anomalies in mobile gamma spectrometry systems is presented. This method requires minimal assumptions about the radiation environment, and is not computationally intensive. Some case studies are presented to illustrate the method. It is shown that difference spectra produced in this manner can improve signal to background, estimate shielding or mass depth using scattered spectral components, and locate point sources. This approach could be a useful addition to the methods available for locating point sources and mapping dispersed activity in real time. Further possible developments of the procedure utilising more intelligent filters and spatial averaging of the background are identified.

  15. 1012 - 1015 eV interaction deduced from energy spectra of gamma-ray and hadrons at airplane altitude

    International Nuclear Information System (INIS)

    Takahashi, Yoshiyuki

    1978-01-01

    The present paper deals with the latest results of the spectral measurements of high energy cosmic ray performed on an airplane with an emulsion chamber. The hadronic component together with the gamma-ray component were observed in the region of gamma energy not smaller than 30 GeV and gamma energy sum not larger than 40 TeV. It was observed that the integral spectra of hadronic showers showed less steep power than those obtained at mountain stations. On the other hand, the integral spectra of gamma-ray in the energy region from 40 GeV to 40 TeV showed steeper power than those of hadronic component. The zenith angle distributions of hadrons and gamma-ray were inspected, and it was confirmed that the observed distributions were well reproduced by the theoretical curves with the appropriate attenuation length. (Yoshimori, M.)

  16. Radiation anomaly detection algorithms for field-acquired gamma energy spectra

    Science.gov (United States)

    Mukhopadhyay, Sanjoy; Maurer, Richard; Wolff, Ron; Guss, Paul; Mitchell, Stephen

    2015-08-01

    The Remote Sensing Laboratory (RSL) is developing a tactical, networked radiation detection system that will be agile, reconfigurable, and capable of rapid threat assessment with high degree of fidelity and certainty. Our design is driven by the needs of users such as law enforcement personnel who must make decisions by evaluating threat signatures in urban settings. The most efficient tool available to identify the nature of the threat object is real-time gamma spectroscopic analysis, as it is fast and has a very low probability of producing false positive alarm conditions. Urban radiological searches are inherently challenged by the rapid and large spatial variation of background gamma radiation, the presence of benign radioactive materials in terms of the normally occurring radioactive materials (NORM), and shielded and/or masked threat sources. Multiple spectral anomaly detection algorithms have been developed by national laboratories and commercial vendors. For example, the Gamma Detector Response and Analysis Software (GADRAS) a one-dimensional deterministic radiation transport software capable of calculating gamma ray spectra using physics-based detector response functions was developed at Sandia National Laboratories. The nuisance-rejection spectral comparison ratio anomaly detection algorithm (or NSCRAD), developed at Pacific Northwest National Laboratory, uses spectral comparison ratios to detect deviation from benign medical and NORM radiation source and can work in spite of strong presence of NORM and or medical sources. RSL has developed its own wavelet-based gamma energy spectral anomaly detection algorithm called WAVRAD. Test results and relative merits of these different algorithms will be discussed and demonstrated.

  17. DELIN and DELOG codes for graphic representation of gamma ray spectra; Programas DELIN y DELOG para la representacion grafica de espectros gamma

    Energy Technology Data Exchange (ETDEWEB)

    Romero, L; Travesi, A

    1983-07-01

    Two Fortran IV Codes has been developed for graphic representation of the gamma-ray spectra obtained with Ge Li detectors and multichannel analyzers. The grafic plotting es carried out with the H.P. Graphic Plotter Mod HP-7221 A, using the graphic package software GRAPHICS-1000 from Hewlett-Packard. The codes have a great versatility and the representation of gamma spectra can ba done in a lineal, semi log, or log-log scale, as desired. The gamma ray spectra data are feed into the computer through magnetic tape or perfored paper tape. The different out-put options and complementary data are given in a conversational way through a terminal with T.V. displays. Among the options that can be selected by the user are the following: - smoothing the spectra - drawing the spectra point by point or continuous - out-put drawing an 1, 2, or 4 sheet with automatic division of the energy scale. - overlapping of selected spectra regions in Y scale ampliation with automatic print-out of the region limits and ampliation factor. - Printing spectra data and identifications of selected photo peaks. The codes can be employed with any computer using printing devices, HP-Graphics 1000 software compatible, but are easily modified for another printing software since their modular structure with Fortran IV written.

  18. Vibrational spectra of charge transfer complexes of lead phthalocyanine

    International Nuclear Information System (INIS)

    Oza, A.T.; Patel, S.G.; Patel, R.G.; Prajapati, S.M.; Vaidya, Rajiv

    2005-01-01

    Infrared spectra of six charge transfer complexes of lead phthalocyanine (PbPc), namely, PbPc-I 2 , PbPc-TCNQ, PbPc-DDQ, PbPc-chloranil, PbPc-TCNE and PbPc-TNF, where TCNQ=7,7,8,8-tetracyano-1,4-quinodimethane, DDQ=2,3-dichloro-5,6-dicyano-p-benzoquinone, TCNE=tetracyano-p-ethylene and TNF=2,4,5,7-tetranitro-9-fluorenone have been studied in the range of 400-4000 cm -1 . The analysis of featureless absorption is carried out for studying transition across the Peierls gap of 0.225 eV. The electronic absorption envelopes at 1500, 1100 and 3400 cm -1 are found to have Gaussian shapes and not the degenerate oscillators, as found in purely organic conductors. There is a pairing of two electrons on phthalocyanine ligand as required in Little's model, and consequently, the electronic absorption envelope is a doublet. Electronic absorption envelope is a doublet showing two peaks at 1500 and 1100 cm -1 , indicating a two-electron problem in PbPc. Metal-ligand vibrations between 400 and 700 cm -1 lead to indirect transition between the valence and conduction bands and phonon-mediated coupling between metal chains and the side chains

  19. Characteristic Investigation of Unfolded Neutron Spectra with Different Priori Information and Gamma Radiation Interference

    International Nuclear Information System (INIS)

    Kim, Bong Hwan

    2006-01-01

    Neutron field spectrometry using multi spheres such as Bonner Spheres (BS) has been almost essential in radiation protection dosimetry for a long time at workplace in spite of poor energy resolution because it is not asking the fine energy resolution but requiring easy operation and measurement performance over a wide range of energy interested. KAERI has developed and used extended BS system based on a LiI(Eu) scintillator as the representative neutron spectrometry system for workplace monitoring as well as for the quantification of neutron calibration fields such as those recommended by ISO 8529. Major topics in using BS are how close the unfolded spectra is the real one and to minimize the interference of gamma radiation in neutron/gamma mixed fields in case of active instrument such as a BS with a LiI(Eu) scintillator. The former is related with choosing a priori information when unfolding the measured data and the latter is depend on how to discriminate it in intense gamma radiation fields. Influence of a priori information in unfolding and effect of counting loss due to pile-up of signals for the KAERI BS system were investigated analyzing the spectral measurement results of Scattered Neutron Calibration Fields (SNCF)

  20. Evaluation of beta-decay III. The complex gamma function

    International Nuclear Information System (INIS)

    Wilkinson, D.H.

    1993-05-01

    Two real, analytical, approximations for the square of the modulus of the complex gamma function as it appears in F(Z, W), the Fermi function for beta-decay, are evaluated; an accuracy bettering 10 -4 % can easily be achieved for all electron energies throughout the periodic table. (author). 3 refs., 1 tab., 7 figs

  1. Regulation of microtubule nucleation mediated by gamma-tubulin complexes

    Czech Academy of Sciences Publication Activity Database

    Sulimenko, Vadym; Hájková, Zuzana; Klebanovych, Anastasiya; Dráber, Pavel

    2017-01-01

    Roč. 254, č. 3 (2017), s. 1187-1199 ISSN 0033-183X R&D Projects: GA MŠk(CZ) LD13015 Institutional support: RVO:68378050 Keywords : mitotic spindle formation * ring complex * fission yeast * organizing centers * protein complex * golgi-complex * cell-cycle * pole body * augmin * centrosome * Centrosomes * Microtubule nucleation * Microtubule-organizing centers * Non-centrosomal nucleation sites * Spindle pole bodies * gamma-Tubulin complexes Subject RIV: EB - Genetics ; Molecular Biology OBOR OECD: Cell biology Impact factor: 2.870, year: 2016

  2. ACTIV - a program for automatic processing of gamma-ray spectra

    International Nuclear Information System (INIS)

    Zlokazov, V.B.

    1982-01-01

    Program ACTIV is intended for precise analysis of γ-rays and X-ray spectra and allows the user to carry out the full cycle of automatic processing of a series of spectra, i.e. calibration, automatic peak search, determination of peak positions and areas, identification of the radioisotopes and the transformation of the areas found into masses of isotopes in the irradiated sample. ACTIV uses a complex mathematical technique and is oriented mainly to large computers, but using overlaid loading, it can be run also on small computers like the PDP 11/70. Compared with other similar programs, ACTIV has some advantages in accuracy of peak shape description and in the reliability of the peak search and its least-square analysis. The program can be used for the purpose of activation analysis. The program can analyze spectra with poor statistics and with broad and narrow peaks. (orig.)

  3. A computer program for automatic gamma-ray spectra analysis with isotope identification for the purpose of activation analysis

    International Nuclear Information System (INIS)

    Weigel, H.; Dauk, J.

    1974-01-01

    A FORTRAN IV program for a PDP-9 computer, with 16K storage capacity, is developed performing automatic analysis of complex gamma-spectra, taken with Ge/Li/ detectors. It searches for full energy peaks and evaluates the peak areas. The program features and automatically performed isotope identifiaction. It is written in such a flexible manner that after reactor irradiation, spectra from samples of any composition can be evaluated for activation analysis. The peak search rutin is based on the following criteria: the counting rate has to increase for two succesive channels; and the amplitude of the corresponding maximum has to be greater than/or equal to F 1 times the statistical error of the counting rate in the valley just before the maximum. In order to detect superimposed peaks, it is assumed that the dependence of FWHM on channel number is roughly approximated by a linear function, and the actual and''theoretical''FWHM values are compared. To determine the net peak area a Gaussian based function is fitted to each peak. The isotope identification is based on the procedure developed by ADAMS and DAMS. (T.G.)

  4. Gamma-ray spectra and doses from the Little Boy replica

    International Nuclear Information System (INIS)

    Moss, C.E.; Lucas, M.C.; Tisinger, E.W.; Hamm, M.E.

    1984-01-01

    Most radiation safety guidelines in the nuclear industry are based on the data concerning the survivors of the nuclear explosions at Hiroshima and Nagasaki. Crucial to determining these guidelines is the radiation from the explosions. We have measured gamma-ray pulse-height distributions from an accurate replica of the Little Boy device used at Hiroshima, operated at low power levels near critical. The device was placed outdoors on a stand 4 m from the ground to minimize environmental effects. The power levels were based on a monitor detector calibrated very carefully in independent experiments. High-resolution pulse-height distributions were acquired with a germanium detector to identify the lines and to obtain line intensities. The 7631 to 7645 keV doublet from neutron capture in the heavy steel case was dominant. Low-resolution pulse-height distributions were acquired with bismuth-germanate detectors. We calculated flux spectra from these distributions using accurately measured detector response functions and efficiency curves. We then calculated dose-rate spectra from the flux spectra using a flux-to-dose-rate conversion procedure. The integral of each dose-rate spectrum gave an integral dose rate. The integral doses at 2 m ranged from 0.46 to 1.03 mrem per 10 13 fissions. The output of the Little Boy replica can be calculated with Monte Carlo codes. Comparison of our experimental spectra, line intensities, and integral doses can be used to verify these calculations at low power levels and give increased confidence to the calculated values from the explosion at Hiroshima. These calculations then can be used to establish better radiation safety guidelines. 7 references, 7 figures, 2 tables

  5. Program LEP to addition of gamma spectra from germanium detectors; Programa LEPS para suma de espectros gammas de detectores de germanio

    Energy Technology Data Exchange (ETDEWEB)

    Romero, L

    1986-07-01

    The LEP program, written in FORTRAN IV, performs the addition of two spectra, collected with different detectors, from the same sample. This application, adds the two gamma spectra obtained from two opposite LEPS Germanium Detectors (Low Energy Photon Spectrometer), correcting the differences (channel/energy) between both two spectra, and fitting them before adding. The total-spectrum is recorded at the computer memory as a single spectrum. The necessary equipment, to run this program is: - Two opposite germanium detectors, with their associate electronics. - Multichannel analyzer (2048 memory channel minimum) - Computer on-line interfacing to multichannel analyzer. (Author) 4 refs.

  6. Comparison of alternative methods for multiplet deconvolution in the analysis of gamma-ray spectra

    International Nuclear Information System (INIS)

    Blaauw, Menno; Keyser, Ronald M.; Fazekas, Bela

    1999-01-01

    Three methods for multiplet deconvolution were tested using the 1995 IAEA reference spectra: Total area determination, iterative fitting and the library-oriented approach. It is concluded that, if statistical control (i.e. the ability to report results that agree with the known, true values to within the reported uncertainties) is required, the total area determination method performs the best. If high deconvolution power is required and a good, internally consistent library is available, the library oriented method yields the best results. Neither Erdtmann and Soyka's gamma-ray catalogue nor Browne and Firestone's Table of Radioactive Isotopes were found to be internally consistent enough in this respect. In the absence of a good library, iterative fitting with restricted peak width variation performs the best. The ultimate approach as yet to be implemented might be library-oriented fitting with allowed peak position variation according to the peak energy uncertainty specified in the library. (author)

  7. GRABGAM: A Gamma Analysis Code for Ultra-Low-Level HPGe SPECTRA

    Energy Technology Data Exchange (ETDEWEB)

    Winn, W.G.

    1999-07-28

    The GRABGAM code has been developed for analysis of ultra-low-level HPGe gamma spectra. The code employs three different size filters for the peak search, where the largest filter provides best sensitivity for identifying low-level peaks and the smallest filter has the best resolution for distinguishing peaks within a multiplet. GRABGAM basically generates an integral probability F-function for each singlet or multiplet peak analysis, bypassing the usual peak fitting analysis for a differential f-function probability model. Because F is defined by the peak data, statistical limitations for peak fitting are avoided; however, the F-function does provide generic values for peak centroid, full width at half maximum, and tail that are consistent with a Gaussian formalism. GRABGAM has successfully analyzed over 10,000 customer samples, and it interfaces with a variety of supplementary codes for deriving detector efficiencies, backgrounds, and quality checks.

  8. An innovative method for extracting isotopic information from low-resolution gamma spectra

    International Nuclear Information System (INIS)

    Miko, D.; Estep, R.J.; Rawool-Sullivan, M.W.

    1998-01-01

    A method is described for the extraction of isotopic information from attenuated gamma ray spectra using the gross-count material basis set (GC-MBS) model. This method solves for the isotopic composition of an unknown mixture of isotopes attenuated through an absorber of unknown material. For binary isotopic combinations the problem is nonlinear in only one variable and is easily solved using standard line optimization techniques. Results are presented for NaI spectrum analyses of various binary combinations of enriched uranium, depleted uranium, low burnup Pu, 137 Cs, and 133 Ba attenuated through a suite of absorbers ranging in Z from polyethylene through lead. The GC-MBS method results are compared to those computed using ordinary response function fitting and with a simple net peak area method. The GC-MBS method was found to be significantly more accurate than the other methods over the range of absorbers and isotopic blends studied

  9. PC based analysis of gamma ray spectra generated by semiconductor detectors

    International Nuclear Information System (INIS)

    Abani, M.C.; Madan, V.K.

    1993-01-01

    This report describes a spectrum analysis method and computer program for analysis of gamma spectra obtained by using semiconductor detectors and multichannel analysers. The analysis steps incorporated are smoothing, peak location using signal processing method of convolution, selectable background subtraction viz linear, polynomial and step like, peak fitting both for singlets and doublets using Mukoyama's method for evaluation of full width at half maximum and area evaluation including errors in its evaluation. The program also provides a facility for energy calibration. Typical results of analysis for singlets and doublets are included. This report is based on Wilson's report which has been modified and extended. The program is written in BASIC and its listing is included in the appendices. (author). 20 refs., 2 figs., 2 tabs

  10. Quality-assurance techniques used with automated analysis of gamma-ray spectra

    International Nuclear Information System (INIS)

    Killian, E.W.; Koeppen, L.D.; Femec, D.A.

    1994-01-01

    In the course of developing gamma-ray spectrum analysis algorithms for use by the Radiation Measurements Laboratory at the Idaho National Engineering Laboratory (INEL), several techniques have been developed that enhance and verify the quality of the analytical results. The use of these quality-assurance techniques is critical when gamma-ray analysis results from low-level environmental samples are used in risk assessment or site restoration and cleanup decisions. This paper describes four of the quality-assurance techniques that are in routine use at the laboratory. They are used for all types of samples, from reactor effluents to environmental samples. The techniques include: (1) the use of precision pulsers (with subsequent removal) to validate the correct operation of the spectrometer electronics for each and every spectrum acquired, (2) the use of naturally occurring and cosmically induced radionuclides in samples to help verify that the data acquisition and analysis were performed properly, (3) the use of an ambient background correction technique that involves superimposing (open-quotes mappingclose quotes) sample photopeak fitting parameters onto multiple background spectra for accurate and more consistent quantification of the background activities, (4) the use of interactive, computer-driven graphics to review the automated locating and fitting of photopeaks and to allow for manual fitting of photopeaks

  11. Gamma spectra analysis from a NaI(Tl) scintillation detector using a micro-computer

    International Nuclear Information System (INIS)

    Levinson, S.

    1990-01-01

    A software package of programs was devloped for qualitative and quantitative evaluation of gamma ray spectra obtained from a NaI(Tl) scintilation counter, by means of a micro-computer. The programs can easily be transformed for use with a Ge(Li) detector. The various algorithms enable automatic analyzing of a spectrum and also interactive or manual mode. The graphic programs display the measured spectrum as well as spectra of standard radionuclides which helps in the determination of peaks and related radionuclides in the spectrum. The peak search is carried out on a smoothed spectrum and is done by checking the behaviour of the second and third derivatives. The algorithm solves the problem of overlapping peaks and performs gaussian fitting, if necessary. Determination of the various radionuclides in the spectrum is done by linear minimum least squares techniques. Overall analysis of the radionuclides activities in the spectrum is obtained for samples of various counting geometries. In addition, a model was developed for efficiency calibration of flat 3X3 inch NaI(Tl) detectors for different samples measured in various counting geometries. It is based on point source experimental efficiency curve fitting. (author)

  12. BGSUB and BGFIX: FORTRAN programs to correct Ge(Li) gamma-ray spectra for photopeaks from radionuclides in background

    International Nuclear Information System (INIS)

    Cutshall, N.H.; Larsen, I.L.

    1980-03-01

    Two FORTRAN programs which provide correction and error analysis for background photopeak contributions to low-level gamma-ray spectra are discussed. A peak-by-peak background subtraction approach is used instead of channel-by-channel correction. The accuracy of corrected results near background levels is substantially improved over uncorrected values

  13. APPLE-2: an improved version of APPLE code for plotting neutron and gamma ray spectra and reaction rates

    International Nuclear Information System (INIS)

    Kawasaki, Hiromitsu; Seki, Yasushi.

    1982-07-01

    A computer code APPLE-2 which plots the spatial distribution of energy spectra of multi-group neutron and/or gamma ray fluxes, and reaction rates has been developed. This code is an improved version of the previously developed APPLE code and has the following features: (1) It plots energy spectra of neutron and/or gamma ray fluxes calculated by ANISN, DOT and MORSE. (2) It calculates and plots the spatial distribution of neutron and gamma ray fluxes and various types of reaction rates such as nuclear heating rates, operational dose rates, displacement damage rates. (3) Input data specification is greatly simplified by the use of standard, response libraries and by close coupling with radiation transport calculation codes. (4) Plotting outputs are given in camera ready form. (author)

  14. Determination of altitude-dependence of standard spectra and stripping ratios for the GR820 Airborne Gamma Ray Spectrometry

    International Nuclear Information System (INIS)

    Heincke, Bjoern H.; Watson, Robin J.; Moeller, Thomas

    2010-01-01

    NGUs Airborne Gamma Ray Spectrometer system is used both for geological mapping, and for monitoring radioactive materials in the event of nuclear emergencies. Traditional methods of processing spectrometer data use channel windows around the radionuclides of interest; more advanced methods make use of the full spectra information. Such advanced methods require prior knowledge of the dependence of standard spectra with height. Height-dependent measurements have been made using concrete calibration pads, and polythene sheets to simulate the effects of altitude. The height-dependent standard spectra were determined using singular value decomposition and a global inversion scheme. Using the first two eigenimages, together with suitable scaling factors, we were able to recreate the measured height-dependent standard spectra. The height dependence of standard Th, U and K stripping ratios were also calculated from these standard spectra.(Au)

  15. Synthesis and infrared spectra of Vanadium (III) prussian blue complexes

    International Nuclear Information System (INIS)

    Toma, H.E.; Lellis, F.T.P.

    1987-01-01

    The synthesis and characterization of a series of polymeric pigments containing vanadium (III) and hexacryano or substituted pentacyanoferrate (II) complexes are studied. The role of the intervalence transfer interactions in the complexes is discussed. (M.J.C.) [pt

  16. Order statistics and energy-ordered histograms: an analytical approach to continuum gamma-ray spectra

    International Nuclear Information System (INIS)

    Urrego, J.P.; Cristancho, F.

    2001-01-01

    Full text: Fusion-evaporation heavy ion collisions have enable us to explore new regions of phase space E - I, particularly high spin and excitation energy regions, where level densities are so high that modern detectors are unable to resolve individual gamma-ray transitions and consequently the resulting spectrum is continuous and undoubtedly contains a lot of new physics. In spite of that, very few experiments have been designed to extract conclusions about behavior of nuclei in continuum, thus in order to obtain a continuum spectroscopy it is necessary to apply to numerical simulations. In this sense GAMBLE a Monte Carlo based code- is a powerful tool that with some modifications allows us to test a new method to analyze the outcome of experiments focused on the properties of phase space regions in nuclear continuum: The use of Energy-Ordered Spectra (EOS) . Let's suppose that in a experiment is collected all gamma radiation emitted by a specific nucleus in a fixed intrinsic excitation energy range and that the different EOS are constructed. Although it has been shown that comparisons between such EOS and Monte Carlo simulations give information about the level density and the strength function their interpretation is not too clear because the large number of input values needed in a code like GAMBLE. On the other hand, if we could have an analytical description of EOS, the understanding of the underlying physics would be more simple because one could control exactly the involved variables and eventually simulation would be unnecessary. Promissory advances in that direction come from mathematical theory of Order Statistics (OS) In this work it is described the modified code GAMBLE and some simulated EOS for 170 Hf are shown. The simulations are made with different formulations for both level density (Fermi Gas at constant and variable temperature) and gamma strength function (GDR, single particle). Further it is described in detail how OS are employed in the

  17. Inter-pulse high-resolution gamma-ray spectra using a 14 MeV pulsed neutron generator

    Science.gov (United States)

    Evans, L.G.; Trombka, J.I.; Jensen, D.H.; Stephenson, W.A.; Hoover, R.A.; Mikesell, J.L.; Tanner, A.B.; Senftle, F.E.

    1984-01-01

    A neutron generator pulsed at 100 s-1 was suspended in an artificial borehole containing a 7.7 metric ton mixture of sand, aragonite, magnetite, sulfur, and salt. Two Ge(HP) gamma-ray detectors were used: one in a borehole sonde, and one at the outside wall of the sample tank opposite the neutron generator target. Gamma-ray spectra were collected by the outside detector during each of 10 discrete time windows during the 10 ms period following the onset of gamma-ray build-up after each neutron burst. The sample was measured first when dry and then when saturated with water. In the dry sample, gamma rays due to inelastic neutron scattering, neutron capture, and decay were counted during the first (150 ??s) time window. Subsequently only capture and decay gamma rays were observed. In the wet sample, only neutron capture and decay gamma rays were observed. Neutron capture gamma rays dominated the spectrum during the period from 150 to 400 ??s after the neutron burst in both samples, but decreased with time much more rapidly in the wet sample. A signal-to-noise-ratio (S/N) analysis indicates that optimum conditions for neutron capture analysis occurred in the 350-800 ??s window. A poor S/N in the first 100-150 ??s is due to a large background continuum during the first time interval. Time gating can be used to enhance gamma-ray spectra, depending on the nuclides in the target material and the reactions needed to produce them, and should improve the sensitivity of in situ well logging. ?? 1984.

  18. Proton magnetic resonance spectra of metal ammine complexes, 8

    International Nuclear Information System (INIS)

    Taura, Toshiaki; Sakaguchi, Ushio; Yoneda, Hayami

    1976-01-01

    The rates of amine hydrogen isotopic exchange in the [Co(O) 2 (N) 4 ] + complex ions, where (O) 2 represents carbonate, oxalate, or malonate ions, and (N) 4 , tetraamine, bis(ethylenediamine), or bis(trimethylenediamine), were measured in D 2 O at 35 0 C by the PMR technique. It was found that: (1) the rates for trans (to oxygen) amines are faster than those for cis amines; (2) the rates, especially for trans amines, in the carbonato complexes are slower than those in the oxalato and malonato analogs, and (3) the difference between the rates for cis and trans amines is smaller in the bis(diamine) complexes than in the tetraammine complexes. These results are discussed in terms of the influence of the chelate geometry in the complex on the exchange reaction. (auth.)

  19. Fieldable computer system for determining gamma-ray pulse-height distributions, flux spectra, and dose rates from Little Boy

    International Nuclear Information System (INIS)

    Moss, C.E.; Lucas, M.C.; Tisinger, E.W.; Hamm, M.E.

    1984-01-01

    Our system consists of a LeCroy 3500 data acquisition system with a built-in CAMAC crate and eight bismuth-germanate detectors 7.62 cm in diameter and 7.62 cm long. Gamma-ray pulse-height distributions are acquired simultaneously for up to eight positions. The system was very carefully calibrated and characterized from 0.1 to 8.3 MeV using gamma-ray spectra from a variety of radioactive sources. By fitting the pulse-height distributions from the sources with a function containing 17 parameters, we determined theoretical repsonse functions. We use these response functions to unfold the distributions to obtain flux spectra. A flux-to-dose-rate conversion curve based on the work of Dimbylow and Francis is then used to obtain dose rates. Direct use of measured spectra and flux-to-dose-rate curves to obtain dose rates avoids the errors that can arise from spectrum dependence in simple gamma-ray dosimeter instruments. We present some gamma-ray doses for the Little Boy assembly operated at low power. These results can be used to determine the exposures of the Hiroshima survivors and thus aid in the establishment of radation exposure limits for the nuclear industry

  20. Peak fitting and identification software library for high resolution gamma-ray spectra

    International Nuclear Information System (INIS)

    Uher, Josef; Roach, Greg; Tickner, James

    2010-01-01

    A new gamma-ray spectral analysis software package is under development in our laboratory. It can be operated as a stand-alone program or called as a software library from Java, C, C++ and MATLAB TM environments. It provides an advanced graphical user interface for data acquisition, spectral analysis and radioisotope identification. The code uses a peak-fitting function that includes peak asymmetry, Compton continuum and flexible background terms. Peak fitting function parameters can be calibrated as functions of energy. Each parameter can be constrained to improve fitting of overlapping peaks. All of these features can be adjusted by the user. To assist with peak identification, the code can automatically measure half-lives of single or multiple overlapping peaks from a time series of spectra. It implements library-based peak identification, with options for restricting the search based on radioisotope half-lives and reaction types. The software also improves the reliability of isotope identification by utilizing Monte-Carlo simulation results.

  1. Neutron and gamma-ray spectra of {sup 239}PuBe and {sup 241}AmBe

    Energy Technology Data Exchange (ETDEWEB)

    Vega-Carrillo, H.R. E-mail: rvega@cantera.reduaz.mx; Manzanares-Acuna, Eduardo; Becerra-Ferreiro, A.M.; Carrillo-Nunez, Aureliano

    2002-08-01

    Neutron and gamma-ray spectra of {sup 239}PuBe and {sup 241}AmBe were measured and their dosimetric features were calculated. Neutron spectra were measured using a multisphere neutron spectrometer with a {sup 6}LiI(Eu) scintillator. The {sup 239}PuBe neutron spectrum was measured in an open environment, while the {sup 241}AmBe neutron spectrum was measured in a closed environment. Gamma-ray spectra were measured using a NaI(Tl) scintillator using the same experimental conditions for both sources. The effect of measuring conditions for the {sup 241}AmBe neutron spectrum indicates the presence of epithermal and thermal neutrons. The low-resolution neutron spectra obtained with the multisphere spectrometer allows one to calculate the dosimetric features of neutron sources. At 100 cm both sources produce approximately the same count rate as that of the 4.4 MeV gamma-ray per unit of alpha emitter activity.

  2. FPDCYS and FPSPEC: computer programs for calculating fission-product beta and gamma multigroup spectra from ENDF/B-IV data

    International Nuclear Information System (INIS)

    Stamatelatos, M.G.; England, T.R.

    1977-05-01

    FPDCYS and FPSPEC are two FORTRAN computer programs used at the Los Alamos Scientific Laboratory (LASL), in conjunction with the CINDER-10 program, for calculating cumulative fission-product beta and/or gamma multigroup spectra in arbitrary energy structures, and for arbitrary neutron irradiation periods and cooling times. FPDCYS processes ENDF/B-IV fission-product decay energy data to generate multigroup beta and gamma spectra from individual ENDF/B-IV fission-product nuclides. FPSPEC further uses these spectra and the corresponding nuclide activities calculated by the CINDER-10 code to produce cumulative beta and gamma spectra in the same energy grids in which FPDCYS generates individual isotope decay spectra. The code system consisting of CINDER-10, FPDCYS, and FPSPEC has been used for comparisons with experimental spectra and continues to be used at LASL for generating spectra in special user-oriented group structures. 3 figures

  3. Study of the effect of gamma radiation on the molecule of tetracycline concerning its behavior as complexing and extracting agent

    International Nuclear Information System (INIS)

    Andrade e Silva, Leonardo Gondim de

    1982-01-01

    Both solvent extraction and spectrophotometric techniques were used to show the alterations that gamma radiation causes in the behavior of tetracycline molecule as far as its extracting and complexing power are concerned. The effect of gamma radiation on the solid tetracycline molecule, benzyl alcohol and on the solution of both was examined in solvent extraction systems whose aqueous phases were made up by 152 Eu- 154 Eu radioactive tracer solutions and whose organic phases were constituted by tetracycline-benzyl alcohol solutions. Experiments were performed in order to determine whether or not the water used for the pre-saturation of benzyl alcohol would influence the radiolysis of tetracycline. Solvent extraction and spectrophotometry were the techniques used to obtain the necessary data. Absorption spectra of irradiated tetracycline benzyl alcohol solutions submitted to several gamma radiation doses were examined and the alterations shown by these spectra were examined. The effect of gamma radiation on the tetracycline molecule was also studied when tetracycline-benzyl alcohol solutions were irradiated under several gaseous atmospheres, namely: O 2 , N 2 , SF 6 and N 2 O. The variation on the concentration of the tetracycline-benzyl alcohol solution caused by several doses of gamma radiation was determined by using the spectrophotometric technique. (author)

  4. High-Quality Medium-Resolution Gamma-Ray Spectra from Certified Reference Uranium and Plutonium Materials

    International Nuclear Information System (INIS)

    Zsigrai, J.; Muehleisen, A.; ); Weber, A.-L.; Funk, P.; Berlizov, A.; Mintcheva, J.

    2015-01-01

    The Institute of Transuranium Elements (ITU) has made an effort to record a collection of medium resolution gamma-ray spectra from well-characterized U and Pu certified reference materials CRM-171 (also known as SRM-969), CBNM-271, and Harwell PIDIE standards. The goal of this exercise was twofold: (i) to complement the international database of reference gamma-ray spectra with high-quality data for medium resolution spectrometers, and (ii) to feed Phase I of the U/Pu isotopic inter-comparison exercise that is being jointly organized by the ESARDA NDA Working Group and IAEA. Phase II of the exercise will be fed by similar spectra recorded by Institute for Radiological Protection and Nuclear Safety (IRSN). These activities are supported through a joint Member State Support Programmes (MSSP) task and aimed at delivering reliable methodologies for the determination of U/Pu isotopic composition using medium resolution gamma-spectrometers. The latter have obvious benefits for in-field applications, amongst which are better usability, portability and maintainability. As the spectra will be made available online for software developers and end users, ultimately this will also contribute to sustainability as well as the improved and validated performance of existing U/Pu isotopic codes. The spectra were recorded using the IAEA's standard Lanthanum Bromide (LaBr3(Ce)) (2.0'' x 0.5'') and Cadmium Zink Telluride (CdZnTe) (500 mm''3) detectors and acquisition electronics. Aiming to acquire the highest quality reference data, the spectra were measured for long acquisition times, ensuring very good counting statistics across potentially useful spectral intervals — up to 1 MeV for the CdZnTe and up to 2.6 MeV for the LaBr3(Ce) detectors. Great attention was also paid to ensure that the measurement geometry was stable and reproducible, and the spectra had minimum influence from background radiation and pile-up effects. The paper will briefly

  5. NEWFIT, a computer program for the analysis of alpha, X-ray and gamma-ray spectra

    International Nuclear Information System (INIS)

    Welch, R.B.; Gyger, F.; Jost, D.T.; Gunten, H.R. von; Kraehenbuehl, U.

    1988-01-01

    The computer program NEWFIT has been developed for analysis of gamma-ray, X-ray and alpha spectra. The general shape used for the analysis of activity peaks is a Gaussian function. An exponential tail can be added for use in alpha spectra analysis. The algorithms to analyze the peak shapes and the program operation are presented. Special features include the ability to create realistic peak shapes based on the systematic deviations of the real peaks from the theoretical Gaussian shape, as well as the option to constrain the calculated areas of peaks from a given emitting nuclide to their relative branching ratios. The program is available from the authors. (orig.)

  6. synthesis and spectra characterization of mixed- ligand complexes

    African Journals Online (AJOL)

    BARTH EKWUEME

    The Schiff base ligand, N-Propylidene-2-methylpyridylamine was obtained from the condensation of 2- aminomethypyridine and propanal.Also, its complexes with Cu(II),Ni(II),Zn(II),Co(II) .... determined with Thomas–Hoover capillary melting apparatus. RESULTS AND DISCUSSION. N-propylidene-2-methylpyridylamine ...

  7. Synthesis, structure, redox and spectra of green iridium complexes ...

    Indian Academy of Sciences (India)

    Reactions of IrCl3 ⋅ H2O with the ligands, 2-[(phenylamino)phenylazo]pyridine (HL1a) and 2-[(-tolylamino)phenylazo]pyridine (HL1b) produce [Ir(L1)2]Cl (L1 = L1a, [1]Cl and L1 = L1b, [2]Cl) along with many unidentified products. The iridium complexes have been characterized by various techniques such as X-ray ...

  8. Gamma spectra pictures using a digital plotter. Program MONO; Representacion de Espectros directos mediante un trazado digital. Prograa MONO

    Energy Technology Data Exchange (ETDEWEB)

    Los Arcos, J M

    1978-07-01

    The program MONO has been written for a CALCOMP-936 digital plotter operating off- -line with a UMI VAC 1106 computer, to obtain graphic representations of single gamma spectra stored on magnetic tape. It allows to plot the whole spectrum or only a part, as well as to draw a given spectrum on the same or different picture than the previous one. Ten representation scales are available and at up nine comment lines can be written in a graphic. (Author) 4 refs.

  9. Interpretation of the peak areas in gamma-ray spectra that have a large relative uncertainty

    International Nuclear Information System (INIS)

    Korun, M.; Maver Modec, P.; Vodenik, B.

    2012-01-01

    Empirical evidence is provided that the areas of peaks having a relative uncertainty in excess of 30% are overestimated. This systematic influence is of a statistical nature and originates in way the peak-analyzing routine recognizes the small peaks. It is not easy to detect this influence since it is smaller than the peak-area uncertainty. However, the systematic influence can be revealed in repeated measurements under the same experimental conditions, e.g., in background measurements. To evaluate the systematic influence, background measurements were analyzed with the peak-analyzing procedure described by Korun et al. (2008). The magnitude of the influence depends on the relative uncertainty of the peak area and may amount, in the conditions used in the peak analysis, to a factor of 5 at relative uncertainties exceeding 60%. From the measurements, the probability for type-II errors, as a function of the relative uncertainty of the peak area, was extracted. This probability is near zero below an uncertainty of 30% and rises to 90% at uncertainties exceeding 50%. - Highlights: ► A systematic influence affecting small peak areas in gamma-ray spectra is described. ► The influence originates in the peak locating procedure, using a pre-determined sensitivity. ► The predetermined sensitivity makes peak areas with large uncertainties to be overestimated. ► The influence depends on the relative uncertainty of the number of counts in the peak. ► Corrections exceeding a factor of 3 are attained at peak area uncertainties exceeding 60%.

  10. Utilization of concurrently gathered pulser data for complete spectral validation of gamma-ray spectra from germanium detectors

    International Nuclear Information System (INIS)

    Johnson, L.O.; Killian, E.W.; Helmer, R.G.; Coates, R.A.

    1980-01-01

    Some of the capabilities and limitations of using concurrently gathered pulser data for energy calibration, dead time correction, and pile-up loss correction of gamma ray spectra from germanium detectors have been investigated. This report deals with the pulser, charge injection into the charge sensitive preamplifier, hardware separation of gamma and pulser events, and analysis techniques to improve the accuracy of gamma peak area corrections from pulser data. Data are presented indicating achievable short and long term energy calibration stability of better than .01% and accuracy and rate dependent peak area loss corrections of +-1% up to 50,000 pulses per second (pps) and +-2.5% up to 100,000 pps, energy independent

  11. Fast neutron and gamma-ray spectra measurements with a NE-213 spectrometer in the FNG Copper Benchmark Experiment

    International Nuclear Information System (INIS)

    Klix, Axel; Angelone, Maurizio; Fischer, Ulrich; Pillon, Mario

    2016-01-01

    Highlights: • Fast neutron and gamma-ray spectra were measured in a copper assembly irradiated with DT neutrons. • The results were compared with MCNP calculations. • Primary aim was to provide experimental data for checking and validation of nuclear data evaluations of copper. - Abstract: A neutronics benchmark experiment on a pure Copper assembly was performed at the Frascati Neutron Generator. The work aimed at testing of recent nuclear data libraries. This paper focuses on the measurement of fast neutron and gamma-ray flux spectra in the Copper assembly under DT neutron irradiation in two selected positions with a spectrometer based on the organic liquid scintillator NE-213. The measurement results were compared with Monte Carlo radiation transport calculations using MCNP and nuclear data from the JEFF-3.1.1 library. Calculations have been done with Cu data from JEFF-3.1.1, JEFF-3.2, FENDL-3 and ENDF/B-7.0. Discrepancies appear in the intermediate neutron energy range between experiment and calculation. Large discrepancies were observed in the gamma-ray spectra calculated with JEFF-3.2.

  12. Fast neutron and gamma-ray spectra measurements with a NE-213 spectrometer in the FNG Copper Benchmark Experiment

    Energy Technology Data Exchange (ETDEWEB)

    Klix, Axel, E-mail: axel.klix@kit.edu [Karlsruhe Institute of Technology, Institute for Neutron Physics and Reactor Technology Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Angelone, Maurizio [ENEA Dipartimento Fusione e Tecnologie per la Sicurezza Nucleare, C.R. Frascati, via E. Fermi 45, 00044 Frascati (Italy); Fischer, Ulrich [Karlsruhe Institute of Technology, Institute for Neutron Physics and Reactor Technology Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Pillon, Mario [ENEA Dipartimento Fusione e Tecnologie per la Sicurezza Nucleare, C.R. Frascati, via E. Fermi 45, 00044 Frascati (Italy)

    2016-11-01

    Highlights: • Fast neutron and gamma-ray spectra were measured in a copper assembly irradiated with DT neutrons. • The results were compared with MCNP calculations. • Primary aim was to provide experimental data for checking and validation of nuclear data evaluations of copper. - Abstract: A neutronics benchmark experiment on a pure Copper assembly was performed at the Frascati Neutron Generator. The work aimed at testing of recent nuclear data libraries. This paper focuses on the measurement of fast neutron and gamma-ray flux spectra in the Copper assembly under DT neutron irradiation in two selected positions with a spectrometer based on the organic liquid scintillator NE-213. The measurement results were compared with Monte Carlo radiation transport calculations using MCNP and nuclear data from the JEFF-3.1.1 library. Calculations have been done with Cu data from JEFF-3.1.1, JEFF-3.2, FENDL-3 and ENDF/B-7.0. Discrepancies appear in the intermediate neutron energy range between experiment and calculation. Large discrepancies were observed in the gamma-ray spectra calculated with JEFF-3.2.

  13. Neutron and gamma-ray spectra measurement on the model of the KS-150 reactor radial shielding

    International Nuclear Information System (INIS)

    Holman, M.; Hogel, J.; Marik, J.; Kovarik, K.; Franc, L.; Vespalec, R.

    1977-01-01

    A shortened model of the peripheral region of the KS-150 reactor core consisting of two rows of fuel elements and a reflector was constructed from the peripheral fuel elements of the KS-150 reactor core in an experiment on the TR-0 reactor. The mockup of the thermal shield (10 cm of steel), the pressure vessel (15 cm of steel) and the inner wall of the water biological shielding (2 cm of steel) of the KS-150 reactor were erected outside the TR-0 vessel. Fast neutron and gamma spectra were measured with a stilbene crystal scintillation spectrometer. The resonance neutron spectra were measured with 197 Au, 63 Cu and 23 Na resonance activation detectors. Fast neutron spectra inside the reactor were measured with a 10 mm diameter by 10 mm thick stilbene crystal spectrometer, outside the reactor with a 10 mm diameter by 10 mm thick and a 20 mm diameter by 20 mm thick stilbene crystal spectrometer. Neutron spectra in the energy regions of 1 eV to 3 keV and 0.6 MeV to 0.8 MeV were obtained on the core periphery, on the reflector half-thickness and in front of and behind the reactor thermal shield. Gamma spectra were obtained in front of and behind the thermal shield. It was found that the attenuation of neutron fluxes by the reflector and the thermal shield increased with increasing energy while gamma radiation attenuation decreased with increasing energy. It was not possible to obtain the neutron spectrum in the 10 to 600 keV energy range because suitable detection instrumentation was not available. (J.P.)

  14. Measurement of the Multi-TeV Gamma-Ray Flare Spectra of Markarian 421 and Markarian 501

    International Nuclear Information System (INIS)

    Krennrich, F.; Biller, S.D.; Bond, I.H.; Boyle, P.J.; Bradbury, S.M.; Breslin, A.C.; Buckley, J.H.; Burdett, A.M.; Gordo, J.B.; Carter-Lewis, D.A.; Catanese, M.; Cawley, M.F.; Fegan, D.J.; Finley, J.P.; Gaidos, J.A.; Hall, T.; Hillas, A.M.; Lamb, R.C.; Lessard, R.W.; Masterson, C.; McEnery, J.E.; Mohanty, G.; Moriarty, P.

    1999-01-01

    The energy spectrum of Markarian 421 in flaring states has been measured from 0.3 to 10 TeV using both small and large zenith angle observations with the Whipple Observatory 10 m imaging telescope. The large zenith angle technique is useful for extending spectra to high energies, and the extraction of spectra with this technique is discussed. The resulting spectrum of Markarian 421 is fitted reasonably well by a simple power law: J(E)=E -2.54±0.03±0.10 photons m -1 s -1 TeV -1 , where the first set of errors is statistical and the second set is systematic. This is in contrast to our recently reported spectrum of Markarian 501, which over a similar energy range has substantial curvature. The differences in TeV energy spectra of gamma-ray blazars reflect both the physics of the gamma-ray production mechanism and possibly differential absorption effects at the source or in the intergalactic medium. Since Markarian 421 and Markarian 501 have almost the same redshift (0.031 and 0.033, respectively), the difference in their energy spectra must be intrinsic to the sources and not due to intergalactic absorption, assuming the intergalactic infrared background is uniform. copyright copyright 1999. The American Astronomical Society

  15. Automated analysis of off-line measured gamma-spectra using UniSampo gamma-ray spectrum analysis software including criterias for alarming systems

    International Nuclear Information System (INIS)

    Nikkinen, M.T.

    2005-01-01

    In many laboratories the number of measured routine gamma-spectra can be significant and the labour work to review all the data is time consuming and expensive task. In many cases the routine sample does not normally contain radiation above a detectable level, and still the review of the spectra has to be performed. By introducing simple rules for emerging conditions, the review work can be significantly reduced. In one case the need to review the environmental measurement spectra was reduced to less than 1% compared to the original need, which in turn made the review personnel available for more useful functions. Using the UniSampo analysis system, the analysis results of spectra that are causing alarming conditions can be transmitted via e-mail to any address. Some systems are even equipped with the capability to forward these results to hand-portable telephones or pagers. This is a very practical solution for automated environmental monitoring, when the sample spectra are collected automatically and transmitted to central computer for further analysis. Set up of an automatic analysis system, rules for the emerging conditions, technical solutions for an automated alarming system and a generic hypothesis test for the alarming system developed for UniSampo analysis software are described. (author)

  16. Discrimination of neutrons and gamma quanta with the aid of their power density spectra

    International Nuclear Information System (INIS)

    Buchmueller, R.

    1977-01-01

    The paper introduces a method of using only one fission chamber to discriminate the neutron flux against the gamma flux. The gamma chamber current may be several orders of magnitude higher than the neutron chamber current. In specially dimensioned fission chambers the neutrons and gamma quanta are made to generate different current pulses. Discrimination becomes possible by recording the power density spectrum of the mixture of pulses over a broad frequency range ( [de

  17. Vibrational spectra, powder X-ray diffractions and physical properties of cyanide complexes with 1-ethylimidazole

    Science.gov (United States)

    Kürkçüoğlu, Güneş Süheyla; Kiraz, Fulya Çetinkaya; Sayın, Elvan

    2015-10-01

    The heteronuclear tetracyanonickelate(II) complexes of the type [M(etim)Ni(CN)4]n (hereafter, abbreviated as M-Ni-etim, M = Mn(II), Fe(II) or Co(II); etim = 1-ethylimidazole, C5H8N2) were prepared in powder form and characterized by FT-IR and Raman spectroscopy, powder X-ray diffraction (PXRD), thermal (TG; DTG and DTA), and elemental analysis techniques. The structures of these complexes were elucidated using vibrational spectra and powder X-ray diffraction patterns with the peak assignment to provide a better understanding of the structures. It is shown that the spectra are consistent with a proposed crystal structure for these compounds derived from powder X-ray diffraction measurements. Vibrational spectra of the complexes were presented and discussed with respect to the internal modes of both the etim and the cyanide ligands. The C, H and N analyses were carried out for all the complexes. Thermal behaviors of these complexes were followed using TG, DTG and DTA curves in the temperature range 30-700 °C in the static air atmosphere. The FT-IR, Raman spectra, thermal and powder X-ray analyses revealed no significant differences between the single crystal and powder forms. Additionally, electrical and magnetic properties of the complexes were investigated. The FT-IR and Raman spectroscopy, PXRD, thermal and elemental analyses results propose that these complexes are similar in structure to the Hofmann-type complexes.

  18. Quantitative comparison between experimental and simulated gamma-ray spectra induced by 14 MeV tagged neutrons

    Energy Technology Data Exchange (ETDEWEB)

    Perot, B., E-mail: bertrand.perot@cea.fr [CEA, DEN, Cadarache, Nuclear Measurement Laboratory, F-13108 Saint-Paul-lez-Durance (France); El Kanawati, W.; Carasco, C.; Eleon, C. [CEA, DEN, Cadarache, Nuclear Measurement Laboratory, F-13108 Saint-Paul-lez-Durance (France); Valkovic, V. [A.C.T.d.o.o., Prilesje 4, 10000 Zagreb (Croatia); Sudac, D.; Obhodas, J. [Ruder Boskovic Institute, Bijenicka c. 54, 10000 Zagreb (Croatia); Sannie, G. [CEA, LIST, Saclay, F-91191 Gif-sur-Yvette (France)

    2012-07-15

    Fast neutron interrogation with the associated particle technique can be used to identify explosives in cargo containers (EURITRACK FP6 project) and unexploded ordnance on the seabed (UNCOSS FP7 project), by detecting gamma radiations induced by 14 MeV neutrons produced in the {sup 2}H({sup 3}H,{alpha})n reaction. The origin of the gamma rays can be determined in 3D by the detection of the alpha particle, which provides the direction of the opposite neutron and its time-of-flight. Gamma spectroscopy provides the relative counts of carbon, nitrogen, and oxygen, which are converted to chemical fractions to differentiate explosives from other organic substances. To this aim, Monte Carlo calculations are used to take into account neutron moderation and gamma attenuation in cargo materials or seawater. This paper presents an experimental verification that C, N, and O counts are correctly reproduced by numerical simulation. A quantitative comparison is also reported for silicon, iron, lead, and aluminium. - Highlights: Black-Right-Pointing-Pointer Gamma-ray spectra produced by 14 MeV neutrons in C, N, O, Si, Al, Fe, and Pb elements. Black-Right-Pointing-Pointer Quantitative comparison with MCNPX simulations using the ENDF/B-VII.0 library. Black-Right-Pointing-Pointer C, N, and O counts correctly reproduced and chemical proportions recovered using calculation. Black-Right-Pointing-Pointer Application to the detection of explosives or illicit drugs in cargo containers.

  19. A digital processing method for the analysis of complex nuclear spectra

    International Nuclear Information System (INIS)

    Madan, V.K.; Abani, M.C.; Bairi, B.R.

    1994-01-01

    This paper describes a digital processing method using frequency power spectra for the analysis of complex nuclear spectra. The power spectra were estimated by employing modified discrete Fourier transform. The method was applied to observed spectral envelopes. The results for separating closely-spaced doublets in nuclear spectra of low statistical precision compared favorably with those obtained by using a popular peak fitting program SAMPO. The paper also describes limitations of the peak fitting methods. It describes the advantages of digital processing techniques for type II digital signals including nuclear spectra. A compact computer program occupying less than 2.5 kByte of memory space was written in BASIC for the processing of observed spectral envelopes. (orig.)

  20. Dependency of {gamma}-secretase complex activity on the structural integrity of the bilayer

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Hua, E-mail: hzhou2@lbl.gov [Life Sciences Division, Lawrence Berkeley National Laboratory, University of California, Berkeley, CA 94720 (United States); Zhou, Shuxia; Walian, Peter J.; Jap, Bing K. [Life Sciences Division, Lawrence Berkeley National Laboratory, University of California, Berkeley, CA 94720 (United States)

    2010-11-12

    Research highlights: {yields} Partial solubilization of membranes with CHAPSO can increase {gamma}-secretase activity. {yields} Completely solubilized {gamma}-secretase is inactive. {yields} Purified {gamma}-secretase regains activity after reconstitution into lipid bilayers. {yields} A broad range of detergents can be used to successfully reconstitute {gamma}-secretase. -- Abstract: {gamma}-secretase is a membrane protein complex associated with the production of A{beta} peptides that are pathogenic in Alzheimer's disease. We have characterized the activity of {gamma}-secretase complexes under a variety of detergent solubilization and reconstitution conditions, and the structural state of proteoliposomes by electron microscopy. We found that {gamma}-secretase activity is highly dependent on the physical state or integrity of the membrane bilayer - partial solubilization may increase activity while complete solubilization will abolish it. The activity of well-solubilized {gamma}-secretase can be restored to near native levels when properly reconstituted into a lipid bilayer environment.

  1. Librarian driven analysis with graphic user interface for nuclides quantification by gamma spectra

    Energy Technology Data Exchange (ETDEWEB)

    Kondrashov, V.S. E-mail: vlkondra@cdrewu.edu; Rothenberg, S.J.; Petersone, I

    2001-09-11

    For a set of a priori given radionuclides extracted from a general nuclide data library, the authors use median estimates of the gamma-peak areas and estimates to produce a list of possible radionuclides matching gamma-ray line(s). An a priori determined list of nuclides is obtained by searching for a match with the energy information of the database. This procedure is performed in an interactive graphic mode by markers that superimpose, on the spectral data, the energy information and yields provided by a general gamma-ray data library. This library of experimental data includes approximately 17,000 gamma-energy lines related to 756 known gamma emitter radionuclides listed by ICRP.

  2. Use of an iterative convolution approach for qualitative and quantitative peak analysis in low resolution gamma-ray spectra

    International Nuclear Information System (INIS)

    Gardner, Robin P.; Ai Xianyun; Peeples, Cody R.; Wang, Jiaxin; Lee, Kyoung; Peeples, Johanna L.; Calderon, Adan

    2011-01-01

    In many applications, low resolution gamma-ray spectrometers, such as sodium iodide scintillation detectors, are widely used primarily due to their relatively low cost and high detection efficiency. There is widespread interest in improved methods for analyzing spectral data acquired with such devices, using inverse analysis. Peak means and peak areas in gamma- and X-ray spectra are needed for both qualitative and quantitative analysis. This paper introduces the PEAKSI code package that was developed at the Center for Engineering Applications of Radioisotopes (CEAR). The basic approach described here is to use accurate forward models and iterative convolution instead of direct deconvolution. Rather than smoothing and differentiation a combination of linear regression and non-linear searching is used to minimize the reduced chi-square, since this approach retains the capability of establishing uncertainties in the estimated peak parameters. The PEAKSI package uses a Levenberg-Marquardt (LM) non-linear search method combined with multiple linear regression (MLR) to minimize the reduced chi-square value for fitting single or multiple overlapping peaks to determine peak parameters, including peak means, peak standard deviations or full width at half maximum (FWHM), net peak counts, and background counts of peaks in experimental gamma-ray spectra. This approach maintains the natural error structure so that parameter uncertainties can be estimated. The plan is to release this code to the public in the near future.

  3. Quantitative Interpretation of Multifrequency Multimode EPR Spectra of Metal Containing Proteins, Enzymes, and Biomimetic Complexes.

    Science.gov (United States)

    Petasis, Doros T; Hendrich, Michael P

    2015-01-01

    Electron paramagnetic resonance (EPR) spectroscopy has long been a primary method for characterization of paramagnetic centers in materials and biological complexes. Transition metals in biological complexes have valence d-orbitals that largely define the chemistry of the metal centers. EPR spectra are distinctive for metal type, oxidation state, protein environment, substrates, and inhibitors. The study of many metal centers in proteins, enzymes, and biomimetic complexes has led to the development of a systematic methodology for quantitative interpretation of EPR spectra from a wide array of metal containing complexes. The methodology is now contained in the computer program SpinCount. SpinCount allows simulation of EPR spectra from any sample containing multiple species composed of one or two metals in any spin state. The simulations are quantitative, thus allowing determination of all species concentrations in a sample directly from spectra. This chapter will focus on applications to transition metals in biological systems using EPR spectra from multiple microwave frequencies and modes. © 2015 Elsevier Inc. All rights reserved.

  4. Standard gamma-ray spectra for the comparison of spectral analysis software

    International Nuclear Information System (INIS)

    Woods, S.; Hemingway, J.; Bowles, N.

    1997-01-01

    Three sets of standard γ-ray spectra have been produced for use in assessing the performance of spectral analysis software. The origin of and rationale behind the spectra are described. Nine representative analysis systems have been tested both in terms of component performance and in terms of overall performance and the problems encountered in the analysis are discussed. (author)

  5. A method for unfolding high-energy scintillation gamma-ray spectra up to 8 MeV

    International Nuclear Information System (INIS)

    Dymke, N.; Hofmann, B.

    1982-01-01

    In unfolding a high-energy scintillation gamma-ray spectrum up to 8 MeV with the help of a response matrix, the means of linear algebra fail if the matrix is ill conditioned. In such cases, unfolding could be accomplished by means of a mathematical method based on a priori knowledge of the photon spectrum to be expected. The method which belongs to the class of regularization techniques was tested on in-situ gamma-ray spectra of 16 N recorded in a nuclear power plant near the primary circuit, using an 1.5 x 1.5 in. NaI(Tl) scintillation detector. For one regularized unfolding the results were presented in the form of an energy and a dose-rate spectrum. (author)

  6. Cyclotron resonant scattering in the spectra of gamma-ray bursts

    International Nuclear Information System (INIS)

    Lamb, D.Q.; Wang, J.C.L.; Loredo, T.J.; Wasserman, I.; Fenimore, E.E.

    1989-01-01

    Data on the GB880205 gamma-ray bursts are presented that have implications for the nature of gamma-ray burst sources. It is shown that cyclotron resonant scattering and Raman scattering account well for the positions, strengths, and shapes of the relative strengths of the first and second harmonics and their narrow widths. These results imply the existence of a superstrong (B of about 2 x 10 to the 12th G) magnetic field in the vicinity of the X-ray emission region of GB880205. Such a superstrong magnetic field points to a strongly magnetic neutron star as the origin of gamma-ray bursts, and to the fact that the gamma-ray sources belong to the Galaxy. 59 refs

  7. A simple method for generation of back-ground-free gamma-ray spectra

    International Nuclear Information System (INIS)

    Kawarasaki, Y.

    1976-01-01

    A simple and versatile method of generating background-free γ-ray spectra is presented. This method is equivalent to the generation of a continuous background baseline over the entire energy range of spectra corresponding to the original ones obtained with a Ge(Li) detector. These background curves can not be generally expressed in a single and simple analytic form nor in the form of a power series. These background-free spectra thus obtained make it feasible to assign many tiny peaks at the stage of visual inspection of the spectra, which is difficult to do with the original ones. The automatic peak-finding and peak area calculation procedures are both applicable to these background-free spectra. Examples of the application are illustrated. The effect of the peak-shape distortion is also discussed. (Auth.)

  8. Quantifying K, U and Th contents of marine sediments using shipboard natural gamma radiation spectra measured on DV JOIDES Resolution

    Science.gov (United States)

    De Vleeschouwer, David; Dunlea, Ann G.; Auer, Gerald; Anderson, Chloe H.; Brumsack, Hans; de Loach, Aaron; Gurnis, Michael C.; Huh, Youngsook; Ishiwa, Takeshige; Jang, Kwangchul; Kominz, Michelle A.; März, Christian; Schnetger, Bernhard; Murray, Richard W.; Pälike, Heiko; Expedition 356 shipboard scientists, IODP

    2017-04-01

    During International Ocean Discovery Program (IODP) expeditions, shipboard-generated data provide the first insights into the cored sequences. The natural gamma radiation (NGR) of the recovered material, for example, is routinely measured on the ocean drilling research vessel DV JOIDES Resolution. At present, only total NGR counts are readily available as shipboard data, although full NGR spectra (counts as a function of gamma-ray energy level) are produced and archived. These spectra contain unexploited information, as one can estimate the sedimentary contents of potassium (K), thorium (Th), and uranium (U) from the characteristic gamma-ray energies of isotopes in the 40K, 232Th, and 238U radioactive decay series. Dunlea et al. [2013] quantified K, Th and U contents in sediment from the South Pacific Gyre by integrating counts over specific energy levels of the NGR spectrum. However, the algorithm used in their study is unavailable to the wider scientific community due to commercial proprietary reasons. Here, we present a new MATLAB algorithm for the quantification of NGR spectra that is transparent and accessible to future NGR users. We demonstrate the algorithm's performance by comparing its results to shore-based inductively coupled plasma-mass spectrometry (ICP-MS), inductively coupled plasma-emission spectrometry (ICP-ES), and quantitative wavelength-dispersive X-ray fluorescence (XRF) analyses. Samples for these comparisons come from eleven sites (U1341, U1343, U1366-U1369, U1414, U1428-U1430, U1463) cored in two oceans during five expeditions. In short, our algorithm rapidly produces detailed high-quality information on sediment properties during IODP expeditions at no extra cost. Dunlea, A. G., R. W. Murray, R. N. Harris, M. A. Vasiliev, H. Evans, A. J. Spivack, and S. D'Hondt (2013), Assessment and use of NGR instrumentation on the JOIDES Resolution to quantify U, Th, and K concentrations in marine sediment, Scientific Drilling, 15, 57-63.

  9. Automated analysis for large amount gaseous fission product gamma-scanning spectra from nuclear power plant and its data mining

    International Nuclear Information System (INIS)

    Weihua Zhang; Kurt Ungar; Ian Hoffman; Ryan Lawrie; Jarmo Ala-Heikkila

    2010-01-01

    Based on the Linssi database and UniSampo/Shaman software, an automated analysis platform has been setup for the analysis of large amounts of gamma-spectra from the primary coolant monitoring systems of a CANDU reactor. Thus, a database inventory of gaseous and volatile fission products in the primary coolant of a CANDU reactor has been established. This database is comprised of 15,000 spectra of radioisotope analysis records. Records from the database inventory were retrieved by a specifically designed data-mining module and subjected to further analysis. Results from the analysis were subsequently used to identify the reactor coolant half-life of 135 Xe and 133 Xe, as well as the correlations of 135 Xe and 88 Kr activities. (author)

  10. Automated complex for information retrieval and processing in the gamma-resonance spectrometry

    International Nuclear Information System (INIS)

    Belogurov, V.N.; Bylinkin, V.A.

    1977-01-01

    A complex for information retrieval and processing in the Moessbauer effect spectrometry is described. The complex consists of a set of 4 precision spectrometers nad a program system for the computation of Moessbauer effect spectrum. High velocity accuracy - 0.004 mm/s during 6 months operation is achieved by introducing an additional negative feedback, the signal from which is obtained when the time of electromagnetic vibrator driving rod passage in the middle of the cycle is compared to the half-period length of the operation of the multichannel analyser address register. Information from 4 spectrometers via a commutation unit and an equalizer unit is analyzed by one analyser. Descriptions and schemes of spectrometers, procedure and scheme of calibration and checking of their operation are given. Described are the system of connection of spectrometers with the BESM-4 computer and the program complex including programs of information input, check-up,, correction and storage in the computer, the calibration of the spectrometer velocity scale and the programs for computing gamma-resonance spectra. The description of the operational principles of these programs and their block diagrams is given

  11. Reconstruction of fiber grating refractive-index profiles from complex bragg reflection spectra.

    Science.gov (United States)

    Huang, D W; Yang, C C

    1999-07-20

    Reconstruction of the refractive-index profiles of fiber gratings from their complex Bragg reflection spectra is experimentally demonstrated. The amplitude and phase of the complex reflection spectrum were measured with a balanced Michelson interferometer. By integrating the coupled-mode equations, we built the relationship between the complex coupling coefficient and the complex reflection spectrum as an iterative algorithm for reconstructing the index profile. This method is expected to be useful for reconstructing the index profiles of fiber gratings with any apodization, chirp, or dc structures. An apodized chirped grating and a uniform grating with a depression of index modulation were used to demonstrate the technique.

  12. Vibrational spectra of the cyanodimethylmetal complexes of magnesium, aluminium, gallium, and indium

    International Nuclear Information System (INIS)

    Mueller, J.; Schmock, F.; Klopsch, A.; Dehnicke, K.

    1975-01-01

    Tetramethylammonium cyanide reacts with an ethereal solution of dimethylmagnesium to form [NMe 4 ] 4 [Me 2 MgCN] 4 , the complex anion of which is isoelectronic with the known tetrameric dimethylaluminium cyanide [Me 2 AlCN] 4 . The vibrational spectra are reported together with those of the corresponding gallium and indium compounds. (orig.) [de

  13. Formation properties from high resolution neutron activation gamma-ray spectra

    International Nuclear Information System (INIS)

    Mellor, D.W.; Underwood, M.C.

    1985-01-01

    A neutron activation logging tool has been developed comprising a Five Curie /sup 241/ Am-Be neutron source and a large n-type hyper-pure germanium gamma-ray detector. The tool maintains a constant temperature cryogenic environment for periods in excess of twenty hours. No liquid nitrogen or other consumable material is used in the operating or recharging stages. A large calibration tank in simulated well-bore geometry has been constructed with sand bodies saturated with oil and low salinity water (14,000 ppm NaCl). In the water zone prompt neutron capture gamma-rays from silicon, hydrogen and chlorine were prominent; gamma-rays from inelastic scattering on oxygen and silicon were detected. No gamma-rays arising from inelastic scattering on carbon were detected. These data have been interpreted to yield the porosity, fluid saturations, salinity and matrix composition. In the oil zone, gamma-rays arising from inelastic scattering on oxygen, silicon and carbon were detected. The intensity of the carbon line was very poor, and inadequate for quantitative purposes

  14. Simultaneous analysis of qualitative parameters of solid fuel using complex neutron gamma method

    International Nuclear Information System (INIS)

    Dombrovskij, V.P.; Ajtsev, N.I.; Ryashchikov, V.I.; Frolov, V.K.

    1983-01-01

    A study was made on complex neutron gamma method for simultaneous analysis of carbon content, ash content and humidity of solid fuel according to gamma radiation of inelastic fast neutron scattering and radiation capture of thermal neutrons. Metrological characteristics of pulse and stationary neutron gamma methods for determination of qualitative solid fuel parameters were analyzed, taking coke breeze as an example. Optimal energy ranges of gamma radiation detection (2-8 MeV) were determined. The advantages of using pulse neutron generator for complex analysis of qualitative parameters of solid fuel in large masses were shown

  15. Combined effect of solvents and gamma irradiation on the infrared absorption spectra of polyethylene terephthalate

    International Nuclear Information System (INIS)

    Rabie, S.M.; ElBially, A.; Elshourbaguie, S.

    1991-01-01

    The combined effect of solvents and gamma irradiation on the intensities of infrared absorption bands of polyethylene terephthalate, particularly the bands sensitive to conformational changes, were studied. The results revealed that solvent treatment of PET results in significant changes in the intensities of its infrared absorption bands and the exposure of PET to gamma radiation in the presence of solvents helps in the appearance of the two bands at 1550 and 1630 cm . Also, the combined effect of solvents and gamma irradiation on the intensities of the absorption bands is greater than the effect of each agent alone. The extent of the induced changes depends on the nature of solvent and the applied dosage. Further more, for any given solvent or dosage, the rate of change of the intensities of the trans band is not equal to that of the gauche bands.3 fig

  16. Molecular complex of lumiflavin and 2-aminobenzoic acid: crystal structure, crystal spectra, and solution properties.

    Science.gov (United States)

    Shieh, H S; Ghisla, S; Hanson, L K; Ludwig, M L; Nordman, C E

    1981-08-04

    The molecular complex lumiflavin-2-aminobenzoic acid monohydrate (C13H12N4O2.C7H7NO2.H2O) crystallizes from from aqueous solution as red triclinic prisms. The space group is P1 with cell dimensions a = 9.660 A, b = 14.866 A, c = 7.045 A, alpha = 95.44 degrees , beta = 95.86 degrees, and gamma = 105.66 degrees . The crystal structure was solved by direct methods and refined by block-diagonal least-squares procedures to an R value of 0.050 on the basis of 1338 observed reflections. The structure is composed of stacks of alternating lumiflavin adn un-ionized (neutral) 2-aminobenzoic acid molecules. Two different modes of stacking interaction are observed. In one, 2-aminobenzoic acid overlaps all three of the isoalloxazine rings, at a mean distance of 3.36 A; in the other, 2-aminobenzoic acid interacts distance of 3.36 A; in the other, 2-aminobenzoic acid interacts with the pyrazine and dimethylbenzene moieties, at a distance of 3.42 A. Perpendicular to the stacking direction, the molecules form a continuous sheet. Each flavin is hydrogen bonded via O(2) and NH(3) to two symmetrically related aminobenzoates; the water of crystallization forms three hydrogen bonds, bridging two flavins, via O(4) and N(5), and one aminobenzoic acid. The red color of the crystals results from a charge-transfer transition involving stacked flavin and 2-aminobenzoic acid. The red color of the crystals results from a charge-transfer transition involving stacked flavin and 2-aminobenzoic acid molecules. Measurements of the polarized optical absorption spectra of crystals show that the transition moment direction for the long wavelength absorbance (beyond 530 nm) contains an out-of-plane component which can only arise from a charge-transfer interaction. Since the amino N does not make exceptionally close interactions with isoalloxazine atoms in either stacking mode (minimum interatomic distance 3.52 A), the charge transfer is presumed to involve pi orbitals of the 2-aminobenzoic acid donor.

  17. Bayesian deconvolution and quantification of metabolites in complex 1D NMR spectra using BATMAN.

    Science.gov (United States)

    Hao, Jie; Liebeke, Manuel; Astle, William; De Iorio, Maria; Bundy, Jacob G; Ebbels, Timothy M D

    2014-01-01

    Data processing for 1D NMR spectra is a key bottleneck for metabolomic and other complex-mixture studies, particularly where quantitative data on individual metabolites are required. We present a protocol for automated metabolite deconvolution and quantification from complex NMR spectra by using the Bayesian automated metabolite analyzer for NMR (BATMAN) R package. BATMAN models resonances on the basis of a user-controllable set of templates, each of which specifies the chemical shifts, J-couplings and relative peak intensities for a single metabolite. Peaks are allowed to shift position slightly between spectra, and peak widths are allowed to vary by user-specified amounts. NMR signals not captured by the templates are modeled non-parametrically by using wavelets. The protocol covers setting up user template libraries, optimizing algorithmic input parameters, improving prior information on peak positions, quality control and evaluation of outputs. The outputs include relative concentration estimates for named metabolites together with associated Bayesian uncertainty estimates, as well as the fit of the remainder of the spectrum using wavelets. Graphical diagnostics allow the user to examine the quality of the fit for multiple spectra simultaneously. This approach offers a workflow to analyze large numbers of spectra and is expected to be useful in a wide range of metabolomics studies.

  18. Microwave Saturation of Complex EPR Spectra and Free Radicals of Burnt Skin Treated with Apitherapeutic Agent

    Directory of Open Access Journals (Sweden)

    Pawel Olczyk

    2013-01-01

    Full Text Available The effect of microwave power on the complex electron paramagnetic resonance spectra of the burn matrix after the therapy with propolis was examined. The spectra were measured with microwaves in the range of 2.2–79 mW. Three groups of free radicals were found in the damaged skin samples. Their spectral lines evolve differently with the microwave power. In order to detect these free radical groups, the lineshape of the spectra was numerically analysed. The spectra were a superposition of three component lines. The best fit was obtained for the deconvolution of the experimental spectra into one Gauss and two Lorentz lines. The microwave power changes also the lineshape of the spectra of thermally injured skin treated with the conventional agent—silver sulphadiazine. The spectral changes were different for propolis and for silver sulphadiazine. The number of individual groups of free radicals in the wound bed after implementation of these two substances is not equal. It may be explained by a higher activity of propolis than of silver sulphadiazine as therapeutic agents.

  19. Peak center and area estimation in gamma-ray energy spectra using a Mexican-hat wavelet

    Energy Technology Data Exchange (ETDEWEB)

    Qin, Zhang-jian; Chen, Chuan; Luo, Jun-song; Xie, Xing-hong; Ge, Liang-quan [School of Information Science & Technology, Chengdu University of Technology, Chengdu (China); Wu, Qi-fan [Department of Engineering Physics, Tsinghua University, Beijing (China)

    2017-06-21

    Wavelet analysis is commonly used to detect and localize peaks within a signal, such as in Gamma-ray energy spectra. This paper presents a peak area estimation method based on a new wavelet analysis. Another Mexican Hat Wavelet Signal (MHWS) named after the new MHWS is obtained with the convolution of a Gaussian signal and a MHWS. During the transform, the overlapping background on the Gaussian signal caused by Compton scattering can be subtracted because the impulse response function MHWS is a second-order smooth function, and the amplitude of the maximum within the new MHWS is the net height corresponding to the Gaussian signal height, which can be used to estimate the Gaussian peak area. Moreover, the zero-crossing points within the new MHWS contain the information of the Gaussian variance whose valve should be obtained when the Gaussian peak area is estimated. Further, the new MHWS center is also the Gaussian peak center. With that distinguishing feature, the channel address of a characteristic peak center can be accurately obtained which is very useful in the stabilization of airborne Gamma energy spectra. In particular, a method for determining the correction coefficient k is given, where the peak area is calculated inaccurately because the value of the scale factor in wavelet transform is too small. The simulation and practical applications show the feasibility of the proposed peak center and area estimation method.

  20. Calculation of the correlation coefficients between the numbers of counts (peak areas and backgrounds) obtained from gamma-ray spectra

    International Nuclear Information System (INIS)

    Korun, M.; Vodenik, B.; Zorko, B.

    2016-01-01

    Two simple methods for calculating the correlations between peaks appearing in gamma-ray spectra are described. We show how the areas are correlated when the peaks do not overlap, but the spectral regions used for the calculation of the background below the peaks do. When the peaks overlap, the correlation can be stronger than in the case of the non-overlapping peaks. The methods presented are simplified to the extent of allowing their implementation with manual calculations. They are intended for practitioners as additional tools to be used when the correlations between the areas of the peaks in the gamma-ray spectra are to be calculated. Also, the correlation coefficient between the number of counts in the peak and the number of counts in the continuous background below the peak is derived. - Highlights: • The correlation coefficients between areas of closely spaced peaks are assessed. • For isolated peaks the correlation arises from the common continuous background. • If peaks overlap the correlation coefficient depends on how much they overlap. • If peaks overlap also the background height affects the correlation coefficient. • The correlation coefficient between the peak area and its background is −1.

  1. Design and characterization of an interface for acquiring gamma radiation spectra

    International Nuclear Information System (INIS)

    Marin, E.; Hernandez, M.; Soto Moran, R.L.

    1991-01-01

    An interfaces for TOSHIBA personal computer is described. The evaluation of its characteristic shows the possibility of using it as analog-digital converter in spectrometer systems for educational purposes. It is also presented a MSX-Basic program which provides a very flexible data acquisition facility during gamma spectrum analysis applications

  2. Rapid, autonomous analysis of HPGe gamma-ray spectra II: Uranium identification and characterization

    Energy Technology Data Exchange (ETDEWEB)

    Gosnell, Thomas B. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Wong, Jamess L. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2014-02-11

    RadID is a gamma-ray spectrum analysis program originally written to assist in the detection of the illicit movement of nuclear material. In this second of the three-document series we discuss how RadID detects the presence of uranium isotopes and determines a number of its characteristics, most notably or processed material and enriched estimates.

  3. Application of the decoupling scheme on complex neutron-gamma shielding problems

    Energy Technology Data Exchange (ETDEWEB)

    Feher, S. [Institute of Nuclear Technology, Technical University of Budapest, Budapest (Hungary); Leege, P.F.A. de; Hoogenboom, J.E.; Kloosterman, J.L. [Interfaculty Reactor Institute, Delft University of Technology, Delft (Netherlands)

    2000-03-01

    Coupled neutron-gamma shielding calculations using S{sub n} transport theory can be time consuming, especially for two- and three-dimensional geometries. In general, the CPU time of these calculations increases stronger than linear with increasing number of neutron and gamma energy groups, and depends on the order of Legendre expansion and number of S{sub n} directions used. This fact induced the idea of the decoupling method, which seems applicable to accelerate coupled neutron-gamma shielding calculations. The data included in a combined neutron-gamma library can be readily separated into a library containing neutron data only and another library containing gamma data only. Separate calculations for neutrons and gammas are performed on complex geometries using a different Legendre order expansion for neutrons and gammas. CPU savings of 60 to 85% can be achieved for the two-dimensional DORT and three-dimensional TORT calculations respectively. (author)

  4. 35Cl NQR spectra of complexes of tetrachlorostannane with substituted benzoyl chlorides

    International Nuclear Information System (INIS)

    Feshin, V.P.; Dogushin, G.V.; Lazarev, I.M.; Voronkov, M.G.; Feshina, E.V.

    1987-01-01

    35 Cl NQR spectra of mixtures of SnCl 4 with 2-, 3- and 4-XC 6 H 4 COCl were obtained. The electronic and steric structure of the complexes obtained was established. Their formation and structure depend on the nature of substituents X. Complexes with a trigonal-bipyramidal structure are formed with the participation of the carbonyl oxygen atom of the ligand as an electron-donor-center, and complexes with trans-octahedral structure, with the participation of the sulfur atom of the X = CH 3 S substituent

  5. Study of Polymeric Luminescent Blend (PC/PMMA) Doped with Europium Complex under Gamma-Iradiation

    International Nuclear Information System (INIS)

    Parra, D. F.

    2006-01-01

    Spectroscopic properties of blends formed by bisphenol-A polycarbonate (PC) and poly(methyl methacrylate) (PMMA) doped with europium in organic complex were studied. Polymeric luminescent blends are potential materials for many applications; however, little information has been reported concerning the stability under thermal and radiation conditions. Luminescent films were synthesized from europium thenoyltrifluoroacetonate at different concentrations doped in PC/PMMA blends. Films produced of the luminescent polymer blend were irradiated in a 60 C o source. Their luminescent properties, in the solid state, as well as, the thermal oxidative resistance after gamma irradiation was investigated. These systems were characterized by elemental analysis, thermogravimetry (TGA), differential scanning calorimetry (DSC) and infrared spectroscopy (FTIR). Based on TGA data, the thermal stability of PC/PMMA:(tta)3 system is higher than the polymer blend. The DSC results indicated that those new systems are chemically stables. The emission spectra of the Eu 3 +-tta complex doped in the PC/PMMA recorded at 298 and 77 K exhibited the characteristic bands arising from the 5 D 0 →7 F J transitions (J = 0-6). The luminescence intensity decreases with increasing of precursor concentration in the doped polymer obtained by chemical reaction. This result is different from that of samples obtained by physical method in melting doping. The blend was irradiated under ionizing radiation of 60 C o source. After irradiation of the luminescent films the physical properties of luminescence, thermal and oxidative stability were evaluated.(Fapesp and Cnpq financial support)

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

    Science.gov (United States)

    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.

  7. Quantitative Evaluation of gamma-Spectrum Analysis Methods using IAEA Test Spectra

    DEFF Research Database (Denmark)

    Nielsen, Sven Poul

    1982-01-01

    A description is given of a γ-spectrum analysis method based on nonlinear least-squares fitting. The quality of the method is investigated by using statistical tests on the results from analyses of IAEA test spectra. By applying an empirical correction factor of 0.75 to the calculated peak-area u...

  8. Overview of gamma-ray energy deposition and spectra in fast reactor environments

    International Nuclear Information System (INIS)

    Gold, R.

    1977-01-01

    Efforts to define gamma-ray heating in Breeder Reactor (BR) environments are reviewed. This critique is restricted to programmatic activities in the United States, as best exemplified by current practice for the Experimental Breeder Reactor II (EBR-II). Future needs are also addressed in terms of requirements for the Fast Flux Test Facility (FFTF). Experimental efforts and theoretical analyses are surveyed for both high and low power environments. Special emphasis is placed on experimental techniques for calorimetry, temperature measurement, dosimetry and spectrometry. The relation between neutron and gamma-ray calculations is stressed with particular attention given to contrasting analytical techniques and basic nuclear data requirements. Wherever possible comparisons between theory and experiment are cited

  9. Characterization of ESIPT reactions with instant spectra of fluorescence and complexation processes

    International Nuclear Information System (INIS)

    Tomin, Vladimir I.; Ushakou, Dzmitryi V.

    2016-01-01

    Proton transfer processes and especially excited-state intramolecular proton transfer (ESIPT) are of interest not only in physical studies but in a wide range of biological and chemical researches, since they play an important role in different fundamental reactions. Moreover, occurrence of ESIPT very often causes two-bands emission spectra corresponding to the normal and photoproduct (tautomer) forms of molecular structure. It allows carrying out unique measurement of microcharacteristics in chemical and biological researches by using substances with ESIPT as molecular probes, because its dual emission is very sensitive to parameters of microenvironment. Dual fluorescence signal is very convenient for two wavelength ratiometric measurements as they are more sensitive to variations of sample characteristics. Recently new approach for revealing type of excited state reaction which is based on analysis of dynamic changes of relative intensities in instant spectra of fluorescence ESIPT solutes was suggested and tested for neat solutions. Now we generalize this method on solutions in which ESIPT solute may participate also in creating fluorescent complexes. We demonstrate that relative intensities of instant spectra of fluorescence registered with high time resolution allow to get valuable information referring to type of excited state reaction in which dye may undergo complexation reactions with ions in solvent. In addition we show how it is possible in such case to determine characteristics of complexation as, for example, stability constant and efficiency of complexation.

  10. The spectra of type IIB flux compactifications at large complex structure

    International Nuclear Information System (INIS)

    Brodie, Callum; Marsh, M.C. David

    2016-01-01

    We compute the spectra of the Hessian matrix, H, and the matrix M that governs the critical point equation of the low-energy effective supergravity, as a function of the complex structure and axio-dilaton moduli space in type IIB flux compactifications at large complex structure. We find both spectra analytically in an h − 1,2 +3 real-dimensional subspace of the moduli space, and show that they exhibit a universal structure with highly degenerate eigenvalues, independently of the choice of flux, the details of the compactification geometry, and the number of complex structure moduli. In this subspace, the spectrum of the Hessian matrix contains no tachyons, but there are also no critical points. We show numerically that the spectra of H and M remain highly peaked over a large fraction of the sampled moduli space of explicit Calabi-Yau compactifications with 2 to 5 complex structure moduli. In these models, the scale of the supersymmetric contribution to the scalar masses is strongly linearly correlated with the value of the superpotential over almost the entire moduli space, with particularly strong correlations arising for g s <1. We contrast these results with the expectations from the much-used continuous flux approximation, and comment on the applicability of Random Matrix Theory to the statistical modelling of the string theory landscape.

  11. The complex initial reluctivity, permeability and susceptibility spectra of magnetic materials

    Science.gov (United States)

    Hamilton, N. C.

    2015-03-01

    The HF complex permeability spectrum of a magnetic material is deduced from the measured impedance spectrum, which is then normalized to a series permeability spectrum. However, this series permeability spectrum has previously been shown to correspond to a parallel magnetic circuit, which is not appropriate. Some of the implications of this truth are examined. This electric/magnetic duality has frustrated efforts to interpret the shape of the complex magnetic permeability spectra of materials, and has hindered the application of impedance spectroscopy to magnetic materials. In the presence of magnetic loss, the relationship between the relative magnetic permeability and the magnetic susceptibility is called into question. The use of reluctivity spectra for expressing magnetic material properties is advocated. The relative loss factor, tanδm/μi is shown to be an approximation for the imaginary part of the reluctivity. A single relaxation model for the initial reluctivity spectra of magnetic materials is presented, and its principles are applied to measurements of a high permeability ferrite. The results are presented as contour plots of the spectra as a function of temperature.

  12. Measurement of angularly dependent spectra of betatron gamma-rays from a laser plasma accelerator with quadrant-sectored range filters

    Energy Technology Data Exchange (ETDEWEB)

    Jeon, Jong Ho, E-mail: jhjeon07@ibs.re.kr; Nakajima, Kazuhisa, E-mail: naka115@dia-net.ne.jp; Rhee, Yong Joo; Pathak, Vishwa Bandhu; Cho, Myung Hoon; Shin, Jung Hun; Yoo, Byung Ju; Jo, Sung Ha; Shin, Kang Woo [Center for Relativistic Laser Science, Institute for Basic Science (IBS), Gwangju 61005 (Korea, Republic of); Kim, Hyung Taek; Sung, Jae Hee; Lee, Seong Ku; Choi, Il Woo [Center for Relativistic Laser Science, Institute for Basic Science (IBS), Gwangju 61005 (Korea, Republic of); Advanced Photonics Research Institute, GIST, Gwangju 61005 (Korea, Republic of); Hojbota, Calin; Bae, Lee Jin; Jung, Jaehyung; Cho, Min Sang; Cho, Byoung Ick; Nam, Chang Hee [Center for Relativistic Laser Science, Institute for Basic Science (IBS), Gwangju 61005 (Korea, Republic of); Department of Physics and Photon Science, GIST, Gwangju 61005 (Korea, Republic of)

    2016-07-15

    Measurement of angularly dependent spectra of betatron gamma-rays radiated by GeV electron beams from laser wakefield accelerators (LWFAs) are presented. The angle-resolved spectrum of betatron radiation was deconvolved from the position dependent data measured for a single laser shot with a broadband gamma-ray spectrometer comprising four-quadrant sectored range filters and an unfolding algorithm, based on the Monte Carlo code GEANT4. The unfolded gamma-ray spectra in the photon energy range of 0.1–10 MeV revealed an approximately isotropic angular dependence of the peak photon energy and photon energy-integrated fluence. As expected by the analysis of betatron radiation from LWFAs, the results indicate that unpolarized gamma-rays are emitted by electrons undergoing betatron motion in isotropically distributed orbit planes.

  13. Speciation of Pu(4) complexes with weak ligands from visible spectra

    International Nuclear Information System (INIS)

    Berg, J.M.; Veirs, D.K.

    2001-01-01

    Stoichiometries of early actinide metal ion complexes in solution equilibrium can sometimes be determined by modelling the dependence of a species-sensitive measurement on ligand concentration. Weak ligands present the additional problem that these measurements cannot be made in the simplifying limiting case of low ligand concentration relative to the background electrolyte. At high ligand concentrations, constant ionic strength no longer implies constant activity coefficients. Additional parameters must be included in the equilibrium model to account for the variation of activity coefficients with ligand concentration as well as with overall ionic strength. We present the formalism of such a model based on SIT theory and its implementation for simultaneous fitting of spectra over a wide range of ionic strengths. As a test case, we analyse a subset of the spectra we have collected on complexation of Pu(IV) by nitrate in aqueous acid solutions. (authors)

  14. FIER: Software for analytical modeling of delayed gamma-ray spectra

    Science.gov (United States)

    Matthews, E. F.; Goldblum, B. L.; Bernstein, L. A.; Quiter, B. J.; Brown, J. A.; Younes, W.; Burke, J. T.; Padgett, S. W.; Ressler, J. J.; Tonchev, A. P.

    2018-05-01

    A new software package, the Fission Induced Electromagnetic Response (FIER) code, has been developed to analytically predict delayed γ-ray spectra following fission. FIER uses evaluated nuclear data and solutions to the Bateman equations to calculate the time-dependent populations of fission products and their decay daughters resulting from irradiation of a fissionable isotope. These populations are then used in the calculation of γ-ray emission rates to obtain the corresponding delayed γ-ray spectra. FIER output was compared to experimental data obtained by irradiation of a 235U sample in the Godiva critical assembly. This investigation illuminated discrepancies in the input nuclear data libraries, showcasing the usefulness of FIER as a tool to address nuclear data deficiencies through comparison with experimental data. FIER provides traceability between γ-ray emissions and their contributing nuclear species, decay chains, and parent fission fragments, yielding a new capability for the nuclear science community.

  15. Analysis of gamma-ray spectra by using fast Fourier transform

    International Nuclear Information System (INIS)

    Tominaga, Shoji; Nagata, Shojiro; Nayatani, Yoshinobu; Ueda, Isamu; Sasaki, Satoshi.

    1977-01-01

    In order to simplify the mass data processing in a response matrix method for γ-ray spectral analysis, a method using a Fast Fourier Transform devised. The validity of the method was confirmed by a computer simulation for spectra of a NaI detector. The method uses the fact that spectral data can be represented by Fourier series with reduced number of terms. The estimation of intensities of γ-ray components is performed by a matrix operation using the compressed data of an observation spectrum and standard spectra in Fourier coefficients. The identification of γ-ray energies is also easy. Several features in the method and a general problem to be solved in a response matrix method are described. (auth.)

  16. The reference peak areas of the 1995 IAEA test spectra for gamma-ray spectrum analysis programs are absolute and traceable

    CERN Document Server

    Blaauw, M

    1999-01-01

    A previously validated algorithm for absolute peak area determination was used to verify the reference peak areas supplied with the 1995 IAEA test spectra for gamma-ray spectrometry. These reference peak areas turn out to be absolute and traceable to a precision of 0.9%: The reference peak areas are possibly too low by a factor 0.992+-0.009. It is proposed to employ the test spectra and reference areas to validate the peak areas obtained with any algorithm in gamma-ray spectrometry. (author)

  17. Measurements of environmental gamma-ray spectra using a multi-element TL dosemeter

    International Nuclear Information System (INIS)

    Furuta, Sadaaki; Boetter-Jensen, L.; Nielsen, S.P.

    1986-12-01

    A method to estimate the energy distribution and dose of environmental gamma radiation was developed using a multielement TL dosemeter. Experimentally obtained energy responses from a multi-element TL dosemeter with different kinds of filters were used to calculate the energy distribution and related dose by the SAND-II computer code. The code was originally developed to estimate the neutron flux using a multiple foil activation method. Measurements were made at several locations with the multi-element TL dosemeter and comparisons were made with results from a NaI(Tl) scintillation detector and a high-pressure ionization chamber. (author)

  18. Method and device for materials testing making use of the Doppler effect in nuclear gamma spectra

    International Nuclear Information System (INIS)

    Hauser, U.; Pietsch, W.; Neuwirth, W.

    1977-01-01

    A sample to be tested, e.g. steel or petroleum, is irradiated with isotropically incident 14MeV neutrons or thermal neutrons from a neutron generator. If the sample contains C,N,O,F,Na, or Mg, natural or implanted, the neutrons produce recoil nuclei excited by inelastic scattering or the (n,α) process. Their excitation energy is emitted in the form of γ quanta. The Doppler spectrum obtained with the aid of a gamma spectrometer yields information on the microstructure of the sample via the differential energy losses. (ORU) [de

  19. Effects of gamma radiation on commercial food packaging films--study of changes in UV/VIS spectra

    International Nuclear Information System (INIS)

    Moura, E.A.B.; Ortiz, A.V.; Wiebeck, H.; Paula, A.B.A.; Silva, A.L.A.; Silva, L.G.A.

    2004-01-01

    The effects of gamma irradiation doses up to 100 kGy on the optical properties of different commercial packaging films were studied in this paper. The packaging films analyzed were: polyethylene 'LDPE', amide 6-amide 6.6 copolymer 'PA6-PA6.6' and poly(ethylene terephthalate) 'PET'. An investigation on film samples before and after irradiation was performed by UV/VIS spectroscopy. The results showed that, in the absorption spectra of irradiated LDPE and PA6-PA6.6 films, a red-shift in the wavelength of the UV cutoff and a marked reduction in % transmittance (at low wavelengths) occur with increasing radiation dose. With respect to PET samples, no significant changes were observed in either light absorption or transmittance

  20. Interpretation of the parameters of the EPR spectra of transition metal complexes

    International Nuclear Information System (INIS)

    Murav'ev, V.I.

    2005-01-01

    The calculated parameters of the EPR spectra of complexes of d 1 and d 9 ions, inclusive of MoOX 5 (X = Cl, Br), are reviewed. The covalent bond parameters used in the calculations were determined from EPR and experimental optical data (inverse problem of EPR spectroscopy). Various contributions to the expressions for the EPR parameters were compared. The observed abnormal values of the EPR parameters were discussed. The effects of charge-transfer states and the vibronic coupling on the components of g, A, and A L tensors were considered. Mechanisms of spin density transfer to ligands in paramagnetic complexes were proposed [ru

  1. Proficiency test in the analysis of gamma spectra for malevolent radiological situations (MALRAD)

    International Nuclear Information System (INIS)

    Dowdall, M.; Andersson, K.; Singh Sidhu, R.; Palsson, S.E.

    2009-11-01

    The MALRAD activity was intended to provide an exercise activity with respect to gamma ray spectrometric response to malevolent situations involving radioactive sources. Such situations can often be characterised by high activity sources in difficult contexts where the response is by necessity conducted with less than optimal instrumentation. Seven scenarios were developed based on previous incidents where possible and gamma spectral data and other information was disseminated to participants who were given one week to respond to each scenario with as much information as possible. In total 14 individual laboratories responded. The majority of laboratories were in a position to satisfactorily identify sources where single sources were used in situations with no complicating factors. For those scenarios involving heavy shielding some difficulties were encountered due to distortion of the spectrum from that which would normally be viewed as characteristic for the isotope in question. Special nuclear materials such as reprocessed enriched uranium and weapons grade plutonium provided different challenges and there were indications in the responses from participants of unfamiliarity with these materials. (author)

  2. Proficiency test in the analysis of gamma spectra for malevolent radiological situations (MALRAD)

    Energy Technology Data Exchange (ETDEWEB)

    Dowdall, M. (Norwegian Radiation Protection Autority, OEsteraas (Norway)); Andersson, K. (Technical Univ. of Denmark, Risoe National Lab. for Sustainable Energy, Roskilde (Denmark)); Singh Sidhu, R. (Institute for Energy Technology, Kjeller (Norway)); Paulsson, S.E. (Icelandic Radiation Protection Institute (IS))

    2009-11-15

    The MALRAD activity was intended to provide an exercise activity with respect to gamma ray spectrometric response to malevolent situations involving radioactive sources. Such situations can often be characterised by high activity sources in difficult contexts where the response is by necessity conducted with less than optimal instrumentation. Seven scenarios were developed based on previous incidents where possible and gamma spectral data and other information was disseminated to participants who were given one week to respond to each scenario with as much information as possible. In total 14 individual laboratories responded. The majority of laboratories were in a position to satisfactorily identify sources where single sources were used in situations with no complicating factors. For those scenarios involving heavy shielding some difficulties were encountered due to distortion of the spectrum from that which would normally be viewed as characteristic for the isotope in question. Special nuclear materials such as reprocessed enriched uranium and weapons grade plutonium provided different challenges and there were indications in the responses from participants of unfamiliarity with these materials. (author)

  3. Resonance spin memory in low-energy gamma-ray spectra from Sb, Tb, Ho and Ta odd-odd compound nuclei

    International Nuclear Information System (INIS)

    Olejniczak, U.; Gundorin, N.A.; Pikelner, L.B.; Serov, D.G.; Przytula, M.

    2002-01-01

    The low-energy gamma-ray spectra from neutron resonance capture with natural samples of Sb, Tb, Ho and Ta were measured using a HPGe detector at the IBR-30 pulsed reactor (JINR, Dubna). The resonance spin memory effect in the spectra from the odd-odd compound nuclei of 122 Sb, 160 Tb and 166 Ho was found to be quite distinct. For the 182 Ta compound nucleus it proved to be rather weak

  4. Improved Peak Detection and Deconvolution of Native Electrospray Mass Spectra from Large Protein Complexes.

    Science.gov (United States)

    Lu, Jonathan; Trnka, Michael J; Roh, Soung-Hun; Robinson, Philip J J; Shiau, Carrie; Fujimori, Danica Galonic; Chiu, Wah; Burlingame, Alma L; Guan, Shenheng

    2015-12-01

    Native electrospray-ionization mass spectrometry (native MS) measures biomolecules under conditions that preserve most aspects of protein tertiary and quaternary structure, enabling direct characterization of large intact protein assemblies. However, native spectra derived from these assemblies are often partially obscured by low signal-to-noise as well as broad peak shapes because of residual solvation and adduction after the electrospray process. The wide peak widths together with the fact that sequential charge state series from highly charged ions are closely spaced means that native spectra containing multiple species often suffer from high degrees of peak overlap or else contain highly interleaved charge envelopes. This situation presents a challenge for peak detection, correct charge state and charge envelope assignment, and ultimately extraction of the relevant underlying mass values of the noncovalent assemblages being investigated. In this report, we describe a comprehensive algorithm developed for addressing peak detection, peak overlap, and charge state assignment in native mass spectra, called PeakSeeker. Overlapped peaks are detected by examination of the second derivative of the raw mass spectrum. Charge state distributions of the molecular species are determined by fitting linear combinations of charge envelopes to the overall experimental mass spectrum. This software is capable of deconvoluting heterogeneous, complex, and noisy native mass spectra of large protein assemblies as demonstrated by analysis of (1) synthetic mononucleosomes containing severely overlapping peaks, (2) an RNA polymerase II/α-amanitin complex with many closely interleaved ion signals, and (3) human TriC complex containing high levels of background noise. Graphical Abstract ᅟ.

  5. Method for improving the gamma-transition cascade spectra amplitude resolution during coincidence code computerized processing

    International Nuclear Information System (INIS)

    Sukhovoj, A.M.; Khitrov, V.A.

    1984-01-01

    A method of unfolding the differential γ-cascade spectra during radiation capture of slow neutrons based on the computeri-- zed processing of the results of measurements performed, by means of a spectrometer with two Ge(Li) detectors is suggested. The efficiency of the method is illustrated using as an example the spectrum of 35 Cl(n, γ) reaction corresponding to the 8580 keV peak. It is shown that the above approach permits to improve the resolution by 1.2-2.6 times without decrease in registration efficiency within the framework of the method of coincidence pulse amplitude summation

  6. Improvement and validation of isotopic libraries of commercial gamma spectra evaluation packages. Report on task FIN A 955 of Finnish support programme to IAEA safeguards

    Energy Technology Data Exchange (ETDEWEB)

    Nikkinen, M.

    1997-06-01

    The Department of Safeguards at the International Atomic Energy Agency (IAEA) is running gamma spectroscopy analysis with various samples taken at various stages of the nuclear fuel cycle. It was found that the commercial gamma spectra analysis packages available do not include proper gamma-line libraries for the various tasks needed for the safeguards purposes because the libraries of these packages are often incomplete and outdated. New libraries were developed to satisfy the needs in the analysis tasks required for the safeguards purposes. These lines are limited by the number of gamma lines to avoid the problems with too many candidates for a single gamma peak. The work was carried out under the Task FIN A 955 Finnish Support Programme to IAEA Safeguards. (orig.) (18 refs.).

  7. On the non-existence of a sharp cooling break in gamma-ray burst afterglow spectra

    International Nuclear Information System (INIS)

    Uhm, Z. Lucas; Zhang, Bing

    2014-01-01

    Although the widely used analytical afterglow model of gamma-ray bursts (GRBs) predicts a sharp cooling break ν c in its afterglow spectrum, the GRB observations so far rarely show clear evidence for a cooling break in their spectra or a corresponding temporal break in their light curves. Employing a Lagrangian description of the blast wave, we conduct a sophisticated calculation of the afterglow emission. We precisely follow the cooling history of non-thermal electrons accelerated into each Lagrangian shell. We show that a detailed calculation of afterglow spectra does not in fact give rise to a sharp cooling break at ν c . Instead, it displays a very mild and smooth transition, which occurs gradually over a few orders of magnitude in energy or frequency. The main source of this slow transition is that different mini shells have different evolutionary histories of the comoving magnetic field strength B, so that deriving the current value of ν c of each mini shell requires an integration of its cooling rate over the time elapsed since its creation. We present the time evolution of optical and X-ray spectral indices to demonstrate the slow transition of spectral regimes and discuss the implications of our result in interpreting GRB afterglow data.

  8. Stabilization of spectra provided by a gamma-ray spectrometer. Application to the construction of a stabilizer

    International Nuclear Information System (INIS)

    Detourne, G.

    1967-06-01

    This research is concerned with the stabilization of spectra provided by a gamma-ray spectrometer. It is required to hold the calibration straight line of the spectrometer in a position which is fixed initially to better than 5x10 -5 channel. A prototype numerical stabilizer has been constructed : the SPECTROSTAB; it is made up of two independent control loops; one of these makes the spectrometer gain depend on the derivatives of a reference peak at high energies; the other makes the origin of the energy scale depend on the derivatives of a second reference peak at low energies A theoretical study of the behaviour of a control loop shows that a direct action stabilizer gives the most accurate stabilization; the loss in resolving power on the theoretical peaks of the spectra attains about 1 % with a scintillation detector, and 10 % with a semi-conductor detector. Various tests show that the expected results are obtained and that the displacement of the spectral peaks produced by the derivatives are hidden by errors in the calculation of the peak abscissae. (author) [fr

  9. Combined effect of formaldehyde and gamma-irradiation. Vitamin complex effect

    International Nuclear Information System (INIS)

    Ban'kovskij, A.A.; El'chaninova, M.A.

    1996-01-01

    Combined inhalation effect of formaldehyde and gamma-irradiation on the activities of alcohol and aldehyde dehydrogenases in rat lung tissue was studied. The possibility of fitting the parameters studied by the vitamin PP, A and E and complex was shown. At investigation of white rats in conditions of formaldehyde inhalation in concentration 10 mg/m 3 and gamma-irradiation by dose 0.25 Gy the changes of activities of alcohol and aldehyde dehydrogenases in the rat lung tissue were detected. An injection of PP, A and E vitamin complex after combined effect of formaldehyde and gamma-irradiation contributes to normalization of studied parameters. The K(C -1 ) constant is reduced. On this basis it is proposed that in such conditions formaldehyde stabilizes membranes and protects important metabolic processes against damages. Thus, vitamin complex is capable to level a toxic combined effect of formaldehyde and gamma-irradiation. 9 refs., 1 tab

  10. Study of medical isotope production facility stack emissions and noble gas isotopic signature using automatic gamma-spectra analysis platform

    Science.gov (United States)

    Zhang, Weihua; Hoffmann, Emmy; Ungar, Kurt; Dolinar, George; Miley, Harry; Mekarski, Pawel; Schrom, Brian; Hoffman, Ian; Lawrie, Ryan; Loosz, Tom

    2013-04-01

    The nuclear industry emissions of the four CTBT (Comprehensive Nuclear-Test-Ban Treaty) relevant radioxenon isotopes are unavoidably detected by the IMS along with possible treaty violations. Another civil source of radioxenon emissions which contributes to the global background is radiopharmaceutical production companies. To better understand the source terms of these background emissions, a joint project between HC, ANSTO, PNNL and CRL was formed to install real-time detection systems to support 135Xe, 133Xe, 131mXe and 133mXe measurements at the ANSTO and CRL 99Mo production facility stacks as well as the CANDU (CANada Deuterium Uranium) primary coolant monitoring system at CRL. At each site, high resolution gamma spectra were collected every 15 minutes using a HPGe detector to continuously monitor a bypass feed from the stack or CANDU primary coolant system as it passed through a sampling cell. HC also conducted atmospheric monitoring for radioxenon at approximately 200 km distant from CRL. A program was written to transfer each spectrum into a text file format suitable for the automatic gamma-spectra analysis platform and then email the file to a server. Once the email was received by the server, it was automatically analysed with the gamma-spectrum software UniSampo/Shaman to perform radionuclide identification and activity calculation for a large number of gamma-spectra in a short period of time (less than 10 seconds per spectrum). The results of nuclide activity together with other spectrum parameters were saved into the Linssi database. This database contains a large amount of radionuclide information which is a valuable resource for the analysis of radionuclide distribution within the noble gas fission product emissions. The results could be useful to identify the specific mechanisms of the activity release. The isotopic signatures of the various radioxenon species can be determined as a function of release time. Comparison of 133mXe and 133Xe activity

  11. Photosynthetic complex LH2 – Absorption and steady state fluorescence spectra

    International Nuclear Information System (INIS)

    Zapletal, David; Heřman, Pavel

    2014-01-01

    Nowadays, much effort is devoted to the study of photosynthesis which could be the basis for an ideal energy source in the future. To be able to create such an energy source – an artificial photosynthetic complex, the first step is a detailed understanding of the function of photosynthetic complexes in living organisms. Photosynthesis starts with the absorption of a solar photon by one of the LH (light-harvesting) pigment–protein complexes and transferring the excitation energy to the reaction center where a charge separation is initiated. The geometric structure of some LH complexes is known in great detail, e.g. for the LH2 complexes of purple bacteria. For understanding of photosynthesis first stage efficiency, it is necessary to study especially optical properties of LH complexes. In this paper we present simulated absorption and steady-state fluorescence spectra for ring molecular system within full Hamiltonian model. Such system can model bacteriochlorophyll ring of peripheral light-harvesting complex LH2 from purple bacterium Rhodopseudomonas acidophila (Rhodoblastus acidophilus). Dynamic disorder (coupling with phonon bath) simultaneously with uncorrelated static disorder (transfer integral fluctuations) is used in our present simulations. We compare and discuss our new results with our previously published ones and of course with experimental data. - Highlights: • We model absorption and steady state fluorescence spectra for B850 ring from LH2. • Fluctuations of environment is modelled by static and dynamic disorder. • Full Hamiltonian model is compared with the nearest neighbour approximation one. • Simulated fluorescence spectrum is compared with experimental data

  12. Teraherts spectra of A3B3C62 crystals under gamma-irradiation

    International Nuclear Information System (INIS)

    Sardarly, R. M.; Agayeva, R.Sh.; Badalov, A.Z.; Musa-zade, T.N.; Garet, F.; Urbanovic, A.; Coutaz, J.L.

    2010-01-01

    Nano-dimension topologic-disorder materials constitute an important feature in the development of modern electronics. Among such materials, low-dimensional (1D and 2D) compounds, show amazing properties, for example highly anisotropic super ionic conductivity. Here it is shown that in the THz spectrum of such materials, which exhibit strong absorption lines that could be attributed to the libration oscillation of the nanofibers. In classical THz time-domain spectroscopy (THz-TDS), one records the temporal waveforms impinging onto and transmitted by the sample. Then a numerical FFT of both signals is performed. The ratio of the transmitted and incident FFT spectra gives the transmission coefficient of the sample. If the origin of time is preserved between the two requested measurements, then the FFT gives both modulus and phase of the transmission coefficient. If the sample is a slab with parallel sides, the index of refraction and the coefficient of absorption could be accurately determined using an inverse electromagnetic method. For materials exhibiting high absorption bands, the transmission coefficient is almost zero in modulus, and its phase is unknown. The usual solution to this problem is to perform THz-TDS in reflection. Here it is proposed a combined technique, which takes benefit of both transmission and reflection THz-TDS's. The basic idea is to derive a rough estimation of the refractive index from reflection data, while both refractive index and absorption coefficient are also calculated from transmission data. A Kramers-Kronig calculation allows to determine the refractive index from the absorption spectrum measured in transmission. In the spectral regions of transparency, both refractive indices determined from reflection and from the Kramers-Kronig calculation should be superimposed. The method had been applied to determine the index of refraction of low dimensional compounds. Refractive index (full circles) and absorption (dashed line) spectra of

  13. Interpretation of electronic spectra of ruthenium nitroso complexes with N-heterocyclic ligands

    International Nuclear Information System (INIS)

    Sizova, O.V.; Ivanova, N.V.; Lyubimova, O.O.; Nikol'skij, A.B.

    2004-01-01

    Relaying on ab initio and semiempirical CINDO/CI calculations of free ligands L and complexes trans-[Ru(NO)(NH 3 ) 4 (L)] 3+ (L=pyridine, pyrazine, nicotinamide, l-histidine, imidazole), electronic absorption spectra of nitroso complexes with nitrogen-containing heterocyclic ligands L have been analyzed. Spectral manifestations of strong covalent bond Ru-NO was pointed out and the conclusion was made about advisability of presentation of Ru and NO oxidation states in grouping RuNO 3+ as Ru(III) and NO 0 . Introduction of nitroso group into inner coordination sphere of Ru(II) complexes with nitrogen-containing heterocyclic ligands results in essential rearrangement of the entire structure and deprives ligands L of their ability to manifest chromophore properties [ru

  14. Influence of Gamma-Ray Irradiation on Absorption and Fluorescent Spectra of Nd:YAG and Yb:YAG Laser Crystals

    Institute of Scientific and Technical Information of China (English)

    SUN Dun-Lu; ZHANG Qing-Li; XIAO Jing-Zhong; LUO Jian-Qiao; JIANG Hai-He; YIN Shao-Tang

    2008-01-01

    We investigate the influence of gamma-ray irradiation on the absorption and fluorescent spectra of Nd3+ : Y3Al5O12 (Nd:YAG) and Yb3+ :Y3Al5O12 (Yb:YAG) crystals grown by the Czochralski method. Two additional absorption (AA) bands induced by gamma-ray irradiation appear at 255nm and 340nm. The former is eontributed due to Fe3+ impurity, the latter is due to Fe2+ ions and F-type colour centres. The intensity of the excitation and emission spectra as well as the fluorescent lifetime of Nd:YAG crystal decrease after the irradiation of 100 Mrad gamma-ray. In contrast, the same dose irradiation does not impair the fluorescent properties of Yb: YA G crystal. These results indicate that Yb: YA G crystal possesses the advantage over Nd: YA G crystal that has better reliability for applications in harsh radiant environment.

  15. Calibration of Ge gamma-ray spectrometers for complex sample geometries and matrices

    Energy Technology Data Exchange (ETDEWEB)

    Semkow, T.M., E-mail: thomas.semkow@health.ny.gov [Wadsworth Center, New York State Department of Health, Empire State Plaza, Albany, NY 12201 (United States); Department of Environmental Health Sciences, School of Public Health, University at Albany, State University of New York, Rensselaer, NY 12144 (United States); Bradt, C.J.; Beach, S.E.; Haines, D.K.; Khan, A.J.; Bari, A.; Torres, M.A.; Marrantino, J.C.; Syed, U.-F. [Wadsworth Center, New York State Department of Health, Empire State Plaza, Albany, NY 12201 (United States); Kitto, M.E. [Wadsworth Center, New York State Department of Health, Empire State Plaza, Albany, NY 12201 (United States); Department of Environmental Health Sciences, School of Public Health, University at Albany, State University of New York, Rensselaer, NY 12144 (United States); Hoffman, T.J. [Wadsworth Center, New York State Department of Health, Empire State Plaza, Albany, NY 12201 (United States); Curtis, P. [Kiltel Systems, Inc., Clyde Hill, WA 98004 (United States)

    2015-11-01

    A comprehensive study of the efficiency calibration and calibration verification of Ge gamma-ray spectrometers was performed using semi-empirical, computational Monte-Carlo (MC), and transfer methods. The aim of this study was to evaluate the accuracy of the quantification of gamma-emitting radionuclides in complex matrices normally encountered in environmental and food samples. A wide range of gamma energies from 59.5 to 1836.0 keV and geometries from a 10-mL jar to 1.4-L Marinelli beaker were studied on four Ge spectrometers with the relative efficiencies between 102% and 140%. Density and coincidence summing corrections were applied. Innovative techniques were developed for the preparation of artificial complex matrices from materials such as acidified water, polystyrene, ethanol, sugar, and sand, resulting in the densities ranging from 0.3655 to 2.164 g cm{sup −3}. They were spiked with gamma activity traceable to international standards and used for calibration verifications. A quantitative method of tuning MC calculations to experiment was developed based on a multidimensional chi-square paraboloid. - Highlights: • Preparation and spiking of traceable complex matrices in extended geometries. • Calibration of Ge gamma spectrometers for complex matrices. • Verification of gamma calibrations. • Comparison of semi-empirical, computational Monte Carlo, and transfer methods of Ge calibration. • Tuning of Monte Carlo calculations using a multidimensional paraboloid.

  16. Calibration of Ge gamma-ray spectrometers for complex sample geometries and matrices

    International Nuclear Information System (INIS)

    Semkow, T.M.; Bradt, C.J.; Beach, S.E.; Haines, D.K.; Khan, A.J.; Bari, A.; Torres, M.A.; Marrantino, J.C.; Syed, U.-F.; Kitto, M.E.; Hoffman, T.J.; Curtis, P.

    2015-01-01

    A comprehensive study of the efficiency calibration and calibration verification of Ge gamma-ray spectrometers was performed using semi-empirical, computational Monte-Carlo (MC), and transfer methods. The aim of this study was to evaluate the accuracy of the quantification of gamma-emitting radionuclides in complex matrices normally encountered in environmental and food samples. A wide range of gamma energies from 59.5 to 1836.0 keV and geometries from a 10-mL jar to 1.4-L Marinelli beaker were studied on four Ge spectrometers with the relative efficiencies between 102% and 140%. Density and coincidence summing corrections were applied. Innovative techniques were developed for the preparation of artificial complex matrices from materials such as acidified water, polystyrene, ethanol, sugar, and sand, resulting in the densities ranging from 0.3655 to 2.164 g cm −3 . They were spiked with gamma activity traceable to international standards and used for calibration verifications. A quantitative method of tuning MC calculations to experiment was developed based on a multidimensional chi-square paraboloid. - Highlights: • Preparation and spiking of traceable complex matrices in extended geometries. • Calibration of Ge gamma spectrometers for complex matrices. • Verification of gamma calibrations. • Comparison of semi-empirical, computational Monte Carlo, and transfer methods of Ge calibration. • Tuning of Monte Carlo calculations using a multidimensional paraboloid

  17. Teraherts spectra of A3B3C62 crystals under gamma-irradiation

    International Nuclear Information System (INIS)

    Sardarly, R.M; Badalov, A.Z; Musazade, T.N; Agayeva, R.Sh; Garet, F.; Urbanovich, A.; Coutaz, J.L.

    2011-01-01

    Full text: Nano-dimension topologic-disorder materials constitute an important feature in the development of modern electronics. Among such materials, low-dimensional (1D and 2D) compounds1, like or show amazing properties, for example highly anisotropic super ionic conductivity thanks to hoping-type conductivity in the Tl planes located in between the or nanofiber layers.Here we are interested in the THz spectrum of such materials, which exhibit strong absorption lines that could be attributed to the libration oscillation of the nanofibers.In classical THz time-domain spectroscopy (THz-TDS), one records the temporal waveforms impinging onto and transmitted by the sample.Then a numerical FFT of both signals is performed. The ratio of the transmitted and incident FFT spectra gives the transmission coefficient of the sample. If the origin of time is preserved between the two requested measurements, then the FFT gives both modulus and phase of the transmission coefficient. If the sample is a slab with parallel sides, the index of refraction and the coefficient of absorption could be accurately determined using an inverse electromagnetic method 2. For materials exhibiting high absorption bands, the transmission coefficient is almost zero in modulus, and its phase is unknown. The usual solution to this problem is to perform THz-TDS in reflection. However, the disadvantage of the reflection technique is its weak precision due to the difficulty to get the reference signal with the requested precision. Usually, this reference signal is supplied by a metallic mirror located at the position of the sample, but an even small error in positioning the mirror to lead to huge errors, mostly concerning the refractive index of the sample.Here we propose a combined technique, which takes benefit of both transmission and reflection THz-TDS's. The basic idea is to derive a rough estimation of the refractive index from reflection data, while both refractive index and absorption

  18. Investigations of gamma irradiation on the properties of luminescent films of polycarbonate(PC) matrix doped with europium complex [Eu(tta)3(H2O)2

    International Nuclear Information System (INIS)

    Forster, Pedro L.; Lugao, Ademar B.; Martins, Natalia A.; Egute, Nayara S.; Parra, Duclerc F.; Brito, Hermi F.

    2009-01-01

    Luminescent lanthanide complexes have attracted much recent interest for their application as luminescent materials. The combination of unique spectroscopic properties from rare earth complexes associated to physical and chemical intrinsic properties of polymers became more attractive in the last years. A number of advantages of these substances have been reported or realized over the much studied conjugated polymers and nonlanthanide. Luminescent films composed by diaquatris(thenoyltrifluoroacetonate)europium(III) complex [Eu(tta) 3 (H 2 O) 2 ] doped into a polycarbonate (PC) matrix were prepared and irradiated at gamma radiation with 5, 10, and 20 kGy. The PC polymer was doped with 1% (w/w) of the Eu 3+ complex. The thermal properties was investigated by utilization of differential scanning calorimeter (DSC) changes in thermal stability was observed due to the addition of doping agent into the polycarbonate matrix. Changes in photophysical properties due of gamma radiation was observed by emission, excitation spectra and fourier transformed infrared spectra (FTIR). Based on the emission spectra of PC:1% Eu(tta)3 film were observed the characteristic bands arising from the 5 D 0 7 F J transitions of Eu 3+ ion (J=0-4), indicating the ability to obtain the luminescence films. (author)

  19. IAEA intercomparison of methods for processing Ge(Li) gamma-ray spectra: a preliminary report

    International Nuclear Information System (INIS)

    Parr, R.M.; Houtermans, H.; Schaerf, K.

    1979-01-01

    Nine spectra were provided, each covering an energy range of about 1 MeV and, with one exception, containing only well-separated single peaks; the exception was a spectrum containing double peaks. The intercomparison enables the user to test the ability of his methods: (1) to detect small peaks near the limit of detectability, (2) to determine the positions and areas of more easily detectable peaks, and (3) to determine the positions and areas of overlapping double peaks. A total of 212 sets of results was finally received for evaluation from 163 laboratories in 34 member states of the IAEA. For all the different types of tests involved, the methods reported covered a wide range of performance. Classification of these methods did not reveal any group offering a significantly restricted range of performance, though some groups of methods did appear, in the best hands, to be capable of producing better results than others: (1) for peak detection: visual methods and the use of the second derivative, (2) for peak-position (single peaks) determination: the fitting of a parabola or modified Gaussian function, and (3) for peak-area (single peaks) and peak-position and area (double peaks) determination: the fitting of a modified Gaussian function. Many methods reported gave either no estimates or poor estimates of error. With the exception of manual methods, the operating environment (e.g., large or small computer) did not appear to have any significant influence on the results. A comparison of four commonly used computer programs showed that the best results were obtained by SAMPO

  20. Statistical and computer analysis for the solvent effect on the elctronis adsorption spectra of monoethanolamine complexes

    International Nuclear Information System (INIS)

    Masoud, M.S.; Motaweh, H.A.; Ali, A.E.

    1999-01-01

    Full text.the electronic absorption spectra of the octahedral complexes containing monoethanolamine were recorded in different solvents (dioxine, chlororm, ethanol, dimethylformamide, dimethylsulfoxide and water). The data analyzed based on multiple linear regression technique using the equation: ya (a is the regression intercept) are various empirical solvent polarytiparameters; constants are calculated using micro statistic program on pc computer. The solvent spectral data of the complexes are compared to that of nugot, the solvent assists the spectral data to be red shifts. In case of Mn (MEA) CL complex, numerous bands are appeared in presence of CHCI DMF and DMSO solvents probably due to the numerous oxidation states. The solvent parameters: E (solvent-solute hydrogen bond and dipolar interaction); (dipolar interaction related to the dielectric constant); M (solute permanent dipole-solvent induced ipole) and N (solute permanent dipole-solvent permanent dipole) are correlated with the structure of the complexes, in hydrogen bonding solvents (Band in case of complexes as the dielectric constant increases, blue shift occurs in due to conjugation with high stability, the data in DMF and DMSO solvents are nearly the same probably due to their similarity

  1. Complex impedance spectra of chip inductor using Li-Zn-Cu-Mn ferrite

    International Nuclear Information System (INIS)

    Nakamura, Tatsuya; Naoe, Masayuki; Yamada, Yoshihiro

    2006-01-01

    A multi-layer chip inductor (MCI) was fabricated using polycrystalline Li-Zn-Cu-Mn ferrite and the green-sheet technique, and its complex impedance spectrum was evaluated with the help of numerical calculations. The complex impedance spectra of the MCI component using Ni-Zn-Cu ferrite, which have been widely used for this application, were very sensitive to the residual stress and deviated much from the calculated values; however, it was found that the complex impedance spectrum of the MCI component using Li-Zn-Cu-Mn ferrite is quite well reproduced by calculation, where the complex permittivity and permeability of the polycrystalline ferrite as well as the MCI dimensions, were used. It implied that the magneto-striction effect was negligible in case of MCI using Li-Zn-Cu-Mn ferrite, and that the difference was related to magneto-strictive coefficient of the polycrystalline ferrite. Consequently, utilization of Li-Zn-Cu-Mn ferrite enabled us to easily design the complex impedance of MCI component

  2. Deconvolution of Complex 1D NMR Spectra Using Objective Model Selection.

    Directory of Open Access Journals (Sweden)

    Travis S Hughes

    Full Text Available Fluorine (19F NMR has emerged as a useful tool for characterization of slow dynamics in 19F-labeled proteins. One-dimensional (1D 19F NMR spectra of proteins can be broad, irregular and complex, due to exchange of probe nuclei between distinct electrostatic environments; and therefore cannot be deconvoluted and analyzed in an objective way using currently available software. We have developed a Python-based deconvolution program, decon1d, which uses Bayesian information criteria (BIC to objectively determine which model (number of peaks would most likely produce the experimentally obtained data. The method also allows for fitting of intermediate exchange spectra, which is not supported by current software in the absence of a specific kinetic model. In current methods, determination of the deconvolution model best supported by the data is done manually through comparison of residual error values, which can be time consuming and requires model selection by the user. In contrast, the BIC method used by decond1d provides a quantitative method for model comparison that penalizes for model complexity helping to prevent over-fitting of the data and allows identification of the most parsimonious model. The decon1d program is freely available as a downloadable Python script at the project website (https://github.com/hughests/decon1d/.

  3. Gamma-Ray Emission Spectra as a Constraint on Calculations of 234,236,238U Neutron-Capture Cross Sections

    Energy Technology Data Exchange (ETDEWEB)

    Ullmann, John Leonard [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Kawano, Toshihiko [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Bredeweg, Todd Allen [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Baramsai, Bayarbadrakh [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Couture, Aaron Joseph [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Haight, Robert Cameron [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Jandel, Marian [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Mosby, Shea Morgan [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); O' Donnell, John M. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Rundberg, Robert S. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Vieira, David J. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Wilhelmy, Jerry B. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Becker, John A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Wu, Ching-Yen [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Krticka, Milan [Charles Univ., Prague (Czech Republic)

    2015-05-28

    Neutron capture cross sections in the “continuum” region (>≈1 keV) and gamma-emission spectra are of importance to basic science and many applied fields. Careful measurements have been made on most common stable nuclides, but physicists must rely on calculations (or “surrogate” reactions) for rare or unstable nuclides. Calculations must be benchmarked against measurements (cross sections, gamma-ray spectra, and <Γγ>). Gamma-ray spectrum measurements from resolved resonances were made with 1 - 2 mg/cm2 thick targets; cross sections at >1 keV were measured using thicker targets. The results show that the shape of capture cross section vs neutron energy is not sensitive to the form of the strength function (although the magnitude is); the generalized Lorentzian E1 strength function is not sufficient to describe the shape of observed gamma-ray spectra; MGLO + “Oslo M1” parameters produces quantitative agreement with the measured 238U(n,γ) cross section; additional strength at low energies (~ 3 MeV) -- likely M1-- is required; and careful study of complementary results on low-lying giant resonance strength is needed to consistently describe observations.

  4. Impact effects of gamma irradiation on the optical and FT infrared absorption spectra of some Nd3+-doped soda lime phosphate glasses

    Science.gov (United States)

    Marzouk, M. A.; Elkashef, I. M.; Elbatal, H. A.

    2018-04-01

    The main aim of the present work is to study by two collective optical and FTIR spectral measurements some prepared Nd2O3-doped soda lime phosphate glasses before and after gamma irradiation with dose (9 Mrad). The spectral data reveal two strong UV absorption peaks which are correlated with unavoidable trace iron impurities beside extended additional characteristic bands due to Nd3+ ions. Gamma irradiation on the undoped glass produces slight decrease of the intensity of the UV absorption and the generation of an induced visible band and these effects are controlled with two photochemical reduction of some Fe3+ ions to Fe2+ ions together with the formation of nonbridging oxygen hole center (NBOHC) or phosphorous oxygen hole center (POHC). The impact effect of gamma irradiation on the spectra of Nd2O3-doped glasses is limited due to suggested shielding behavior of neodymium ions. FT-infrared spectra show vibrational modes due to main Q2-Q3 phosphate groups and the response of gamma irradiation of the IR spectra is low and the limited variations are related to suggested changes in some bond angles and bond lengths which cause the observed decrease to the intensities of some IR bands.

  5. Perturbed beta-gamma systems and complex geometry

    Energy Technology Data Exchange (ETDEWEB)

    Zeitlin, Anton M. [Department of Mathematics, Yale University, 442 Dunham Lab, 10 Hillhouse Avenue, New Haven, CT 06511 (United States)], E-mail: anton.zeitlin@yale.edu

    2008-05-11

    We consider the equations, arising as the conformal invariance conditions of the perturbed curved beta-gamma system. These equations have the physical meaning of Einstein equations with a B-field and a dilaton on a Hermitian manifold, where the B-field 2-form is imaginary and proportional to the canonical form associated with Hermitian metric. We show that they decompose into linear and bilinear equations and lead to the vanishing of the first Chern class of the manifold where the system is defined. We discuss the relation of these equations to the generalized Maurer-Cartan structures related to BRST operator. Finally we describe the relations of the generalized Maurer-Cartan bilinear operation and the Courant/Dorfman brackets.

  6. Programme in Basic-Applesoft language for microcomputer to analyse pulse spectra from a high-resolution gamma ray system

    International Nuclear Information System (INIS)

    Nascimento Filho, V.F. do; Marques, D.A.; Pessenda, L.C.R.; Barros Ferraz, E.S. de; Nadai, E.A. de; Sao Paulo Univ., Piracicaba

    1988-01-01

    A programme in BASIC-Applesoft language has been developed for low cost microcomputer to analyze spectra from a high-resolution gamma-ray system (high-purity germanium and 4096 channels analyzer). Data is received by the microcomputer directly from analyzer (4 min) or keyboard and shown on video (4 min) or printed (9,7 min). Graphics of parts of the spectrum can be either shown on video (a cursor is used to identify peaks) or printed. The peak search, centroid, energy, net photopeak area, standard deviation and relative standard deviation are included in the programme (5 min), besides filing of data in flexible disk (1,3 min). The programme was used on a 12 h real-time detection in Marinelli beaker of 1265 g sandy soil sample (Ref-Yellow Latosol, 0-3 cm layer). Thirty-one peaks from U-238 and Th-232 daughters were analyzed (rsd less than 20%), besides natural K-40 and artificial Cs-137, from fallout. (author) [pt

  7. Portable microcomputer for the analysis of plutonium gamma-ray spectra. Volume II. Software description and listings

    International Nuclear Information System (INIS)

    Ruhter, W.D.

    1984-05-01

    A portable microcomputer has been developed and programmed for the International Atomic Energy Agency (IAEA) to perform in-field analysis of plutonium gamma-ray spectra. The unit includes a 16-bit LSI-11/2 microprocessor, 32-K words of memory, a 20-character display for user prompting, a numeric keyboard for user responses, and a 20-character thermal printer for hard-copy output of results. The unit weights 11 kg and has dimensions of 33.5 x 30.5 x 23.0 cm. This compactness allows the unit to be stored under an airline seat. Only the positions of the 148-keV 241 Pu and 208-keV 237 U peaks are required for spectral analysis that gives plutonium isotopic ratios and weight percent abundances. Volume I of this report provides a detailed description of the data analysis methodology, operation instructions, hardware, and maintenance and troubleshooting. Volume II describes the software and provides software listings

  8. Gamma radiolysis of Cu(II) complex of metronidazole

    International Nuclear Information System (INIS)

    Mandal, P.C.; Bardhan, D.K.; Bhattacharyya, S.N.

    1990-01-01

    Aqueous solutions of Cu(II)Metronidazole (Cu(II)M) at neutral pH were irradiated with 60 Co γ-rays under different conditions of radiolysis. The radiolytic formation of HNO 2 and Cu(I) was followed. The radiolytic yields of chromophore loss of Cu(II)M were also determined under different conditions. The OH radicals attack the metal complex to give the OH adducts of the ligand at C 2 , C 4 , and C 5 either directly or through the formation of Cu(III) species. The C 5 -OH adduct, however, undergoes oxidative denitration and as a result the metal complex is decomposed. The OH adducts also undergo electron transfer to Cu(II) ion to give reduced complex. No denitration was observed due to the reaction of e eq - with the metal complex. On the other hand, the nitro group of the ligand in the complex undergoes successive 4-electron reduction to give hydroxylamino derivative. From the competition kinetics using t-butyl alcohol as the scavenger of OH in N 2 O saturated solution of the metal complex, the rate constant for the reaction of OH with complex was evaluated to be ca. 2.1x10 9 dm 3 mol -1 s -1 which is of the same order as that observed in the case of free metronidazole. (author)

  9. Electron spectra and mechanism of complexing of uranyl nitrate in water-acetone solutions

    International Nuclear Information System (INIS)

    Zazhogin, A.A.; Zazhogin, A.P.; Komyak, A.I.; Serafimovich, A.I.

    2003-01-01

    Based on the analysis of the luminescence and electronic absorption spectra, the processes of complexing in an aqueous solution of UO 2 (NO 3 ) 2 ·6H 2 O with small additions of acetone have been studied. In a pure aqueous solution, uranyl exists as the complex UO 2 ·5H 2 O. It is shown that the addition of acetone to the solution leads to the displacement of some water molecules out of the first coordination sphere of uranyl and the formation of the uranyl nitrate dihydrate complexes UO 2 (NO 3 ) 2 ·2H 2 O. It has been established that the stability of these complexes is determined by the decrease in the water activity and in the degree of hydration of uranyl and nitrate, which is the result of the local increase in the concentration of acetone molecules (due to their hydrophobicity) in the regions of the solution where uranyl and nitrate ions are found. The experimental facts supported the mechanism proposed are presented. (authors)

  10. Modelling of oscillations in two-dimensional echo-spectra of the Fenna-Matthews-Olson complex

    International Nuclear Information System (INIS)

    Hein, Birgit; Kreisbeck, Christoph; Kramer, Tobias; Rodríguez, Mirta

    2012-01-01

    Recent experimental observations of time-dependent beatings in the two-dimensional echo-spectra of light-harvesting complexes at ambient temperatures have opened up the question of whether coherence and wave-like behaviour play a significant role in photosynthesis. We carry out a numerical study of the absorption and echo-spectra of the Fenna-Matthews-Olson (FMO) complex in Chlorobium tepidum and analyse the requirements in the theoretical model needed to reproduce beatings in the calculated spectra. The energy transfer in the FMO pigment-protein complex is theoretically described by an exciton Hamiltonian coupled to a phonon bath which accounts for the pigments' electronic and vibrational excitations, respectively. We use the hierarchical equations of motions method to treat the strong couplings in a non-perturbative way. We show that the oscillations in the two-dimensional echo-spectra persist in the presence of thermal noise and static disorder. (paper)

  11. Vibrational Spectra of Discrete UO22+ Halide Complexes in the Gas Phase

    International Nuclear Information System (INIS)

    Groenewold, G.S.; Van Stipdonk, Michael J.; Oomens, Jos; De Jong, Wibe A.; Gresham, Garold L.; Mcilwain, Michael

    2010-01-01

    The intrinsic binding of halide ions to the metal center in the uranyl molecule is a topic of ongoing research interest in both the actinide separations and theoretical communities. Investigations of structure in the condensed phases is frequently obfuscated by solvent interactions that can alter ligand binding and spectroscopic properties. The approach taken in this study is to move the uranyl halide complexes into the gas phase where they are free from solvent interactions, and then interrogate their vibrational spectroscopy using infrared multiple photon dissociation (IRMPD). The spectra of cationic coordination complexes having the composition (UO 2 (X)(ACO) 3 ) + (where X = F, Cl, Br and I; ACO = acetone) were acquired using electrospray for ion formation, and monitoring the ion signal from the photoelimination of ACO ligands. The studies showed that the asymmetric ν 3 UO 2 frequency was insensitive to halide identity as X was varied from Cl to I, suggesting that in these pseudo-octahedral complexes, changing the nucleophilicity of the halide did not appreciably alter its binding in the complex. The ν 3 peak in the spectrum of the F-containing complex was 9 cm -1 lower indicating stronger coordination in this complex. Similarly the ACO carbonyl stretches showed that the C=O frequency was relatively insensitive to the identity of the halide, although a modest shift to higher wavenumber was seen for the complexes with the more nucleophilic anions, consistent with the idea that they loosen solvent binding. Surprisingly, the ν 1 stretch was activated when the softer anions Cl, Br and I were present in the complexes. IR studies of the anionic complexes (UO 2 X 3 ) - (where X = Cl - , Br - and I - ) compared the ν 3 UO 2 modes versus halide, and showed that the ν 3 values decreased with increasing anion nucleophilicity. This observation was consistent with DFT calculations that indicated that (UO 2 X 2 ) - -X, and (UO 2 X 2 )·-X - dissociation energies

  12. ALFITeX. A new code for the deconvolution of complex alpha-particle spectra

    International Nuclear Information System (INIS)

    Caro Marroyo, B.; Martin Sanchez, A.; Jurado Vargas, M.

    2013-01-01

    A new code for the deconvolution of complex alpha-particle spectra has been developed. The ALFITeX code is written in Visual Basic for Microsoft Office Excel 2010 spreadsheets, incorporating several features aimed at making it a fast, robust and useful tool with a user-friendly interface. The deconvolution procedure is based on the Levenberg-Marquardt algorithm, with the curve fitting the experimental data being the mathematical function formed by the convolution of a Gaussian with two left-handed exponentials in the low-energy-tail region. The code also includes the capability of fitting a possible constant background contribution. The application of the singular value decomposition method for matrix inversion permits the fit of any kind of alpha-particle spectra, even those presenting singularities or an ill-conditioned curvature matrix. ALFITeX has been checked with its application to the deconvolution and the calculation of the alpha-particle emission probabilities of 239 Pu, 241 Am and 235 U. (author)

  13. Measurement of the neutron and gamma-ray spectra originating from a 14-MeV neutron source in liquid nitrogen and liquid air

    International Nuclear Information System (INIS)

    Broecker, B.; Clausen, K.; Schneider-Kuehnle, P.; Weinert, M.

    1975-01-01

    An experiment to measure the radiation transport originating from a 14-MeV neutron source in liquid nitrogen and liquid air is presented. Neutron and gamma-ray spectra were measured with a proton-recoil NE 213 scintillator and with four spherical proportional counters in a tank filled with liquid nitrogen or liquid air. The neutron spectra cover the energy range of 20 keV to 18 MeV. The source-detector separation varies in the liquid medium between 60 and 240 cm. The experimental setup is briefly described and the errors are estimated. (2 tables, 9 figures) (auth)

  14. Coupling between slow and fast degrees of freedom in systems with complex spectra: Driven systems

    International Nuclear Information System (INIS)

    Bulgac, A.; Dang, G.D.; Kusnezov, D.

    1995-01-01

    We consider many-body systems which display slow modes and have complex spectra of intrinsic states, as atomic nuclei, atomic clusters, deformable cavities, and so forth. The effects of the coupling between the intrinsic and the slow degrees of freedom is analyzed, by assuming random matrix properties for the intrinsic degrees of freedom and the fact that the time evolution of the slow degree of freedom modifies the intrinsic configuration of the system. By neglecting the reaction of the intrinsic degrees of freedom on the slow modes, we derive evolution equations for intrinsic state population probabilities, the average excitation energy, and their fluctuations. These evolution equations are characterized by strong memory effects, and only in the long time limit does the dynamics become Markovian. Copyright copyright 1995 Academic Press, Inc

  15. Far IR spectra of Th(IV) halide complexes of some heterocyclic bases

    International Nuclear Information System (INIS)

    Srivastava, A.K.; Agarwal, R.K.; Srivastava, M.; Kapoor, V.; Srivastava, T.N.

    1981-01-01

    The synthesis and IR spectra of Th(IV) perchlorato, nitrato and thiocyanato complexes of some heterocyclic bases have been reported. Halogens are common ligands in coordination chemistry forming coordinate bonds with metals readily. Metal halogen (M-X) stretching bands show a strong absorption in the far-IR region. Very little information is available on Th-X stretching frequencies. In the present communication, adducts of Th(IV) halide with certain nitrogen heterocyclic bases such as pyridine, α-picoline, 2-amino pyridine, 2:4-lutidine, 2:6-lutidine, quinoline, 2,2'-bipyridine and 1,10-phenanthroline were synthesised and characterised. Experimental details are given. Results are presented and discussed. (author)

  16. ROLE OF LINE-OF-SIGHT COSMIC-RAY INTERACTIONS IN FORMING THE SPECTRA OF DISTANT BLAZARS IN TeV GAMMA RAYS AND HIGH-ENERGY NEUTRINOS

    International Nuclear Information System (INIS)

    Essey, Warren; Kusenko, Alexander; Kalashev, Oleg; Beacom, John F.

    2011-01-01

    Active galactic nuclei (AGNs) can produce both gamma rays and cosmic rays. The observed high-energy gamma-ray signals from distant blazars may be dominated by secondary gamma rays produced along the line of sight by the interactions of cosmic-ray protons with background photons. This explains the surprisingly low attenuation observed for distant blazars, because the production of secondary gamma rays occurs, on average, much closer to Earth than the distance to the source. Thus, the observed spectrum in the TeV range does not depend on the intrinsic gamma-ray spectrum, while it depends on the output of the source in cosmic rays. We apply this hypothesis to a number of sources and, in every case, we obtain an excellent fit, strengthening the interpretation of the observed spectra as being due to secondary gamma rays. We explore the ramifications of this interpretation for limits on the extragalactic background light and for the production of cosmic rays in AGNs. We also make predictions for the neutrino signals, which can help probe the acceleration of cosmic rays in AGNs.

  17. Evolution of complex organic molecules in hot molecular cores. Synthetic spectra at (sub-)mm wavebands

    Science.gov (United States)

    Choudhury, R.; Schilke, P.; Stéphan, G.; Bergin, E.; Möller, T.; Schmiedeke, A.; Zernickel, A.

    2015-03-01

    Context. Hot molecular cores (HMCs) are intermediate stages of high-mass star formation and are also known for their rich chemical reservoirs and emission line spectra at (sub-)mm wavebands. Complex organic molecules (COMs) such as methanol (CH3OH), ethanol (C2H5OH), dimethyl ether (CH3OCH3), and methyl formate (HCOOCH3) produce most of these observed lines. The observed spectral feature of HMCs such as total number of emission lines and associated line intensities are also found to vary with evolutionary stages. Aims: We aim to investigate the spectral evolution of these COMs to explore the initial evolutionary stages of high-mass star formation including HMCs. Methods: We developed various 3D models for HMCs guided by the evolutionary scenarios proposed by recent empirical and modeling studies. We then investigated the spatio-temporal variation of temperature and molecular abundances in HMCs by consistently coupling gas-grain chemical evolution with radiative transfer calculations. We explored the effects of varying physical conditions on molecular abundances including density distribution and luminosity evolution of the central protostar(s) among other parameters. Finally, we simulated the synthetic spectra for these models at different evolutionary timescales to compare with observations. Results: Temperature has a profound effect on the formation of COMs through the depletion and diffusion on grain surface to desorption and further gas-phase processing. The time-dependent temperature structure of the hot core models provides a realistic framework for investigating the spatial variation of ice mantle evaporation as a function of evolutionary timescales. We find that a slightly higher value (15 K) than the canonical dark cloud temperature (10 K) provides a more productive environment for COM formation on grain surface. With increasing protostellar luminosity, the water ice evaporation font (~100 K) expands and the spatial distribution of gas phase abundances of

  18. Prepared for the thirtieth annual conference on bioassay analytical and environmental chemistry. Reliable analysis of high resolution gamma spectra

    International Nuclear Information System (INIS)

    Spitz, H.B.; Buschbom, R.; Rieksts, G.A.; Palmer, H.E.

    1985-01-01

    A new method has been developed to reliably analyze pulse height-energy spectra obtained from measurements employing high resolution germanium detectors. The method employs a simple data transformation and smoothing function to calculate background and identify photopeaks and isotopic analysis. This technique is elegant in its simplicity because it avoids dependence upon complex spectrum deconvolution, stripping, or other least-square-fitting techniques which complicate the assessment of measurement reliability. A moving median was chosen for data smoothing because, unlike moving averages, medians are not dominated by extreme data points. Finally, peaks are identified whenever the difference between the background spectrum and the transformed spectrum exceeds a pre-determined number of standard deviations

  19. Caspase cleaved presenilin-1 is part of active gamma-secretase complexes

    DEFF Research Database (Denmark)

    Hansson, Camilla A; Popescu, Bogdan O; Laudon, Hanna

    2006-01-01

    , and Abeta is believed to be central for the molecular pathogenesis of AD. Apoptosis has been implicated as one of the mechanisms behind the neuronal cell loss seen in AD. We have studied preservation and activity of the gamma-secretase complex during apoptosis in neuroblastoma cells (SH-SY5Y) exposed...

  20. A comparative study on experimental and theoretical ESR spectra of lactic acid polymers irradiated by gamma rays

    International Nuclear Information System (INIS)

    Kantoglu, Oe.; Oezbey, T.; Gueven, O.

    1998-01-01

    Homo polymers of L-Lactic acid (LLA) and D,L-Lactic acid (DLLA), being biocompatible and absorbable in body iluids have recently found wide applications in the preparation of surgical sutures, controlled drug delivery systems, burn wound coverings etc. For sometime these polymers have also been prepared in the form of plates and screws for mandibular fracture fixation, tissue implants. Their chemical sensitivities against relatively high temperatures and hydrolysis with water make them unsuitable for conventional sterilization techniques like hot water vapor and ethylene oxide. Sterilization of the devices made of these polymers is therefore possible by gamma ray irradiation. This has initiated a number of research works in order to better understand the effects of ionizing radiation on this polymer. The aim of this study is to determine the possible radical types, their location on macromolecular structure and the reasons for peak shifts in the experimental and theoretical ESR spectra. Polymer samples were irradiated in air and in vacuum (10□□ torr) to 25 kGy sterilization dose at the dose rate 0.59 kGy/h and at room temperature by 60 Co γ-irradiator. Despite being chemically the same radical type, some differences were observed in the splitting of peaks of PLLA and PDLLA samples. These differences were determined and compared by means of fitting studies. Firstly, PLLA was characterized and its g and hyperfine splitting values were found as 2.0032±0.0002 and 20.37±0.2. In the characterization study of PDLLA, it was found that one of the nearest two radicals was on the upper and the other one was on the lower plane of PDLLA chain. (author)

  1. Calculation of Vibrational and Electronic Excited-State Absorption Spectra of Arsenic-Water Complexes Using Density Functional Theory

    Science.gov (United States)

    2016-06-03

    Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6390--16-9681 Calculation of Vibrational and Electronic Excited -State Absorption Spectra...NUMBER OF PAGES 17. LIMITATION OF ABSTRACT Calculation of Vibrational and Electronic Excited -State Absorption Spectra of Arsenic-Water Complexes Using...Unclassified Unlimited Unclassified Unlimited 59 Samuel G. Lambrakos (202) 767-2601 Calculations are presented of vibrational and electronic excited -state

  2. Methods for deconvoluting and interpreting complex gamma- and x-ray spectral regions

    International Nuclear Information System (INIS)

    Gunnink, R.

    1983-06-01

    Germanium and silicon detectors are now widely used for the detection and measurement of x and gamma radiation. However, some analysis situations and spectral regions have heretofore been too complex to deconvolute and interpret by techniques in general use. One example is the L x-ray spectrum of an element taken with a Ge or Si detector. This paper describes some new tools and methods that were developed to analyze complex spectral regions; they are illustrated with examples

  3. Physicochemical impact studies of gamma rays on "aspirin" analgesics drug and its metal complexes in solid form: Synthesis, spectroscopic and biological assessment of Ca(II), Mg(II), Sr(II) and Ba(II) aspirinate complexes

    Science.gov (United States)

    Refat, Moamen S.; Sharshar, T.; Elsabawy, Khaled M.; Heiba, Zein K.

    2013-09-01

    Metal aspirinate complexes, M2(Asp)4, where M is Mg(II), Ca(II), Sr(II) or Ba(II) are formed by refluxed of aspirin (Asp) with divalent non-transition metal ions of group (II) and characterized by elemental analysis and spectroscopic measurements (infrared, electronic, 1H NMR, Raman, X-ray powder diffraction and scanning electron microscopy). Elemental analysis of the chelates suggests the stoichiometry is 1:2 (metal:ligand). Infrared spectra of the complexes agree with the coordination to the central metal atom through three donation sites of two oxygen atoms of bridge bidentate carboxylate group and oxygen atom of sbnd Cdbnd O of acetyl group. Infrared spectra coupled with the results of elemental analyzes suggested a distorted octahedral structure for the M(II) aspirinate complexes. Gamma irradiation was tested as a method for stabilization of aspirin as well as their complexes. The effect of gamma irradiation, with dose of 80 Gy, on the properties of aspirinate complexes was studied. The aspirinate chelates have been screened for their in vitro antibacterial activity against four bacteria, gram-positive (Bacillus subtilis and Staphylococcus aureus) and gram-negative (Escherichia coli and Pseudomonas aeruginosa) and two strains of fungus (Aspergillus flavus and Candida albicans). The metal chelates were shown to possess more antibacterial activity than the free aspirin chelate.

  4. EPR spectra of vanadyl(2) intra-complexes with amino acids in solutions

    International Nuclear Information System (INIS)

    Shodiev, U.M.; Musaev, Z.M.; Khodzhaev, O.F.; Usmankhodzhaeva, Ya.S.; Parpiev, N.A.

    1987-01-01

    EPR spectra of vanadyl (2) intracomplexes with glycine, α- and β-alanines, benzoylglycine, lencine, glutamine and the aspartic acid of VOL 2 xH 2 O composition as well as with cystine of VOLxH 2 O composition (where L-monodeprotonated, in case of cystine and the aspartic acid - dideprotonated form of the amino acid) in aqueous, methanol, dimethylsulfoxide and pyridine solutions are studied. It is established that the structure determined in the solid state is retained in the dimethylsulfoxide solution and partially - in methanol. In aqueous, pyridine and partially in methanol solutions complexes are distorted and two molecules of the amino acid are coordinated monodentately through oxygen atoms of the carboxyl group, and ''vacant'' coordination places in the equatorial plane take two molecules of the solvent. From the data obtained it follows that the metal - nitrogen bond in the vanadyl (2) complexes studied with amino acids is not so strong than the metal - oxygen bond of the carboxyl ligand group

  5. Crystal structures and Moessbauer spectra of spin-crossover iron(III) complexes of quinquedentate ligands

    International Nuclear Information System (INIS)

    Maeda, Yonezo; Noda, Yosuke; Oshio, Hiroki; Takashima, Yoshimasa; Matsumoto, Naohide

    1994-01-01

    Magnetic properties, Moessbauer spectra and crystal structures of spin-crossover iron(III) complexes with a quinquedentate ligand [FeLX]BPh 4 are reported. X and L denote a unidentate ligand and a quinquedentate ligand, respectively. [Fe(mbpN)(im)]BPh 4 shows spin-crossover behavior in an appropriate organic solvent, and [Fe(mbpN)(lut)]BPh 4 , [Fe(bpN)(py)]BPh 4 and [Fe(salten)X]BPh 4 (X = 4me-py or 2me-im) show spin-crossover behavior in a solid and in an organic solvent. It was found that the ligand field strength of salten was stronger than that of mbpN. The rates of spin-state interexchange in the complexes are as fast as the inverse of the lifetime (1 x 10 -7 s) of the Moessbauer nuclear level. The Moessbauer spectroscopic behavior of [Fe(mbpN)(lut)]BPh 4 and [Fe(bpN)(py)]BPh 4 is different to that of [Fe(salten)X]BPh 4 (X = 4me-py or 2me-im). The difference was ascribed to the different geometrical positions of the corresponding anions. (orig.)

  6. Focusing Leaky Waves: A Class of Electromagnetic Localized Waves with Complex Spectra

    Science.gov (United States)

    Fuscaldo, Walter; Comite, Davide; Boesso, Alessandro; Baccarelli, Paolo; Burghignoli, Paolo; Galli, Alessandro

    2018-05-01

    Localized waves, i.e., the wide class of limited-diffraction, limited-dispersion solutions to the wave equation are generally characterized by real wave numbers. We consider the role played by localized waves with generally complex "leaky" wave numbers. First, the impact of the imaginary part of the wave number (i.e., the leakage constant) on the diffractive (spatial broadening) features of monochromatic localized solutions (i.e., beams) is rigorously evaluated. Then general conditions are derived to show that only a restricted class of spectra (either real or complex) allows for generating a causal localized wave. It turns out that backward leaky waves fall into this category. On this ground, several criteria for the systematic design of wideband radiators, namely, periodic radial waveguides based on backward leaky waves, are established in the framework of leaky-wave theory. An effective design method is proposed to minimize the frequency dispersion of the proposed class of devices and the impact of the "leakage" on the dispersive (temporal broadening) features of polychromatic localized solutions (i.e., pulses) is accounted for. Numerical results corroborate the concept, clearly highlighting the advantages and limitations of the leaky-wave approach for the generation of localized pulses at millimeter-wave frequencies, where energy focusing is in high demand in modern applications.

  7. Interpretation of the Electron Paramagnetic Resonance Spectra of Copper(II)-Tyrosine Complex

    Science.gov (United States)

    Xu, Xiao-Hui; Kuang, Min-Quan

    2017-12-01

    The electron paramagnetic resonance (EPR) spectra of [Cu(l-tyrosine)2]n (CuA) were interpreted based on the fourth-order perturbation treatments where the contributions due to the local distortion, ligand orbit and spin-orbit coupling were included. The calculated band transitions d_{x^2} - y^2 to dxy (≈16412 cm-1) and d_{z^2} (≈14845 cm-1) agree well with the band analysis results (d_{x^2} - y^2 \\to d_{xy} ≈16410 and d_{x^2} - y^2 \\to d_{z^2} ≈14850 cm-1). The unresolved separations d_{x^2} - y^2 \\to d_{xz} and d_{x^2} - y^2 \\to d_{yz} in the absorption spectra were evaluated as 26283 and 26262 cm-1, respectively. For CuA, copper chromophores in 1,3-diaminorpropane isophtalate copper(II) complex (CuB) and N-methyl-1,2-diaminoetaane-bis copper(II) polymer (CuC), the transition d_{x^2} - y^2 \\to d_{xy} (=E1≈10Dq) suffered an increase with a decrease in R̅L which was evaluated as the mean value of the copper-ligand bond lengths. The correlations between the tetragonal elongation ratio ρ (=(Rz-R̅L)/R̅L) (or the ratio G=(gz-ge)/((gx+gy)/2-ge)) and the g isotropy gav (=(gx+gy+gz)/3) (or the covalency factor N) for CuA, CuB and CuC were acquired and all the results were discussed.

  8. Burn-Up Determination by High Resolution Gamma Spectrometry: Spectra from Slightly-Irradiated Uranium and Plutonium between 400-830 keV

    Energy Technology Data Exchange (ETDEWEB)

    Forsyth, R S; Ronqvist, N

    1966-08-15

    Previously published studies of the short-cooled fission product spectra of irradiated uranium have been severely restricted by the poor energy resolution of the sodium iodide detectors used. In this report are presented fission product spectra of irradiated uranium and plutonium obtained by means of a lithium-drifted germanium detector. The resolved gamma peaks have been assigned to various fission products by correlation of measured energy and half-life values with published data. By simultaneous study of the spectra of two irradiated mixtures of plutonium and uranium, the possibility of using the activities of Ru-103 and Ru-106 as a measure of the relative fission rate in U-235 and Pu-239 has been briefly examined.

  9. Burn-Up Determination by High Resolution Gamma Spectrometry: Spectra from Slightly-Irradiated Uranium and Plutonium between 400-830 keV

    International Nuclear Information System (INIS)

    Forsyth, R.S.; Ronqvist, N.

    1966-08-01

    Previously published studies of the short-cooled fission product spectra of irradiated uranium have been severely restricted by the poor energy resolution of the sodium iodide detectors used. In this report are presented fission product spectra of irradiated uranium and plutonium obtained by means of a lithium-drifted germanium detector. The resolved gamma peaks have been assigned to various fission products by correlation of measured energy and half-life values with published data. By simultaneous study of the spectra of two irradiated mixtures of plutonium and uranium, the possibility of using the activities of Ru-103 and Ru-106 as a measure of the relative fission rate in U-235 and Pu-239 has been briefly examined

  10. Exciplex electroluminescence and photoluminescence spectra of the new organic materials based on zinc complexes of sulphanylamino-substituted ligands.

    Science.gov (United States)

    Kaplunov, Mikhail G; Krasnikova, Svetlana S; Nikitenko, Sergey L; Sermakasheva, Natalia L; Yakushchenko, Igor K

    2012-04-03

    We have investigated the electroluminescence spectra of the electroluminescent devices based on the new zinc complexes of amino-substituted benzothiazoles and quinolines containing the C-N-M-N chains in their chelate cycles. The spectra exhibit strong exciplex bands in the green to yellow region 540 to 590 nm due to interaction of the excited states of zinc complexes and triaryl molecules of the hole-transporting layer. For some devices, the intrinsic luminescence band of 460 nm in the blue region is also observed along with the exciplex band giving rise to an almost white color of the device emission. The exciplex band can be eliminated if the material of the hole-transporting layer is not a triarylamine derivative. We have also found the exciplex emission in the photoluminescence spectra of the films containing blends of zinc complex and triphenylamine material.

  11. Substrate-Na{sup +} complex formation: Coupling mechanism for {gamma}-aminobutyrate symporters

    Energy Technology Data Exchange (ETDEWEB)

    Pallo, Anna; Simon, Agnes [Department of Neurochemistry, Institute of Biomolecular Chemistry, Chemical Research Center, Hungarian Academy of Sciences (Hungary); Bencsura, Akos [Department of Theoretical Chemistry, Institute of Structural Chemistry, Chemical Research Center, Hungarian Academy of Sciences, Budapest (Hungary); Heja, Laszlo [Department of Neurochemistry, Institute of Biomolecular Chemistry, Chemical Research Center, Hungarian Academy of Sciences (Hungary); Kardos, Julianna, E-mail: jkardos@chemres.hu [Department of Neurochemistry, Institute of Biomolecular Chemistry, Chemical Research Center, Hungarian Academy of Sciences (Hungary)

    2009-07-24

    Crystal structures of transmembrane transport proteins belonging to the important families of neurotransmitter-sodium symporters reveal how they transport neurotransmitters across membranes. Substrate-induced structural conformations of gated neurotransmitter-sodium symporters have been in the focus of research, however, a key question concerning the mechanism of Na{sup +} ion coupling remained unanswered. Homology models of human glial transporter subtypes of the major inhibitory neurotransmitter {gamma}-aminobutyric acid were built. In accordance with selectivity data for subtype 2 vs. 3, docking and molecular dynamics calculations suggest similar orthosteric substrate (inhibitor) conformations and binding crevices but distinguishable allosteric Zn{sup 2+} ion binding motifs. Considering the occluded conformational states of glial human {gamma}-aminobutyric acid transporter subtypes, we found major semi-extended and minor ring-like conformations of zwitterionic {gamma}-aminobutyric acid in complex with Na{sup +} ion. The existence of the minor ring-like conformation of {gamma}-aminobutyric acid in complex with Na{sup +} ion may be attributed to the strengthening of the intramolecular H-bond by the electrostatic effect of Na{sup +} ion. Coupling substrate uptake into cells with the thermodynamically favorable Na{sup +} ion movement through substrate-Na{sup +} ion complex formation may be a mechanistic principle featuring transmembrane neurotransmitter-sodium symporter proteins.

  12. Effect of second-sphere cation nature on the character of IR spectra of molybdeum(4, 5) cyanide complexes

    International Nuclear Information System (INIS)

    Zubritskaya, D.I.; Semenishin, D.I.; Vretsena, N.B.; Chernyak, B.I.

    1989-01-01

    The effect of nature of second-sphere cations on IR spectra of molybdeum (4, 5) cyanide complexes is studied. It is found that the increase in the first ionization potential (radius decrease) brings about the increase in the frequency of valent variations ν (CN). This proves the possibility of formation of bridge bonds Mo-CN-M in the compounds (M-alkali, alkaline earth or rare earth metal, Cs, Y). The conclusion is made on a considerable effect of the nature of second-sphere cations and oxidation degree of complexing agent atoms on the nature of IR spectra of octacyanomolybdates (4, 5)

  13. Measurement of salinity of fluids in earth formations by comparison of inelastic and capture gamma ray spectra

    International Nuclear Information System (INIS)

    1979-01-01

    A method of borehole logging by detecting and counting gamma rays from inelastic scattering of fast neutrons by carbon, oxygen, silicon and calcium, gamma rays from capture of thermal neutrons by calcium, chlorine and silicon and comparing the former with the latter thereby deriving an estimate of the salinity of the fluids in the borehole, is given (UK)

  14. Moessbauer spectra of some complex compounds of Fe(II) with pyridine

    International Nuclear Information System (INIS)

    Teodorescu, M.; Filoti, G.

    1975-01-01

    The Moessbauer spectra of [Fe(II)py 6 ]Br 2 at 298 and 80 K and the reflectance spectra of the same compound at room temperature are presented. Isomer shift and quadrupole splitting were determined for [Fe(II)py 6 ]Br 2 at 298 and 80 K, their values being correlated with those obtained from electronic spectra measured in the solid state. (Z.S.)

  15. A time-minimizing hybrid method for fitting complex Moessbauer spectra

    International Nuclear Information System (INIS)

    Steiner, K.J.

    2000-07-01

    The process of fitting complex Moessbauer-spectra is known to be time-consuming. The fitting process involves a mathematical model for the combined hyperfine interaction which can be solved by an iteration method only. The iteration method is very sensitive to its input-parameters. In other words, with arbitrary input-parameters it is most unlikely that the iteration method will converge. Up to now a scientist has to spent her/his time to guess appropriate input parameters for the iteration process. The idea is to replace the guessing phase by a genetic algorithm. The genetic algorithm starts with an initial population of arbitrary input parameters. Each parameter set is called an individual. The first step is to evaluate the fitness of all individuals. Afterwards the current population is recombined to form a new population. The process of recombination involves the successive application of genetic operators which are selection, crossover, and mutation. These operators mimic the process of natural evolution, i.e. the concept of the survival of the fittest. Even though there is no formal proof that the genetic algorithm will eventually converge, there is an excellent chance that there will be a population with very good individuals after some generations. The hybrid method presented in the following combines a very modern version of a genetic algorithm with a conventional least-square routine solving the combined interaction Hamiltonian i.e. providing a physical solution with the original Moessbauer parameters by a minimum of input. (author)

  16. $\\gamma$-ray energy spectra and multiplicities from the neutron-induced fission of $^{235}$U using STEFF

    CERN Document Server

    An experiment is proposed to use the STEFF spectrometer at n_TOF to study fragment $\\gamma$-correlations following the neutron-induced fission of $^{235}$U. The STEFF array of 12 NaI detectors will allow measurements of the single $\\gamma$-energy, the $\\gamma$ multiplicity, and the summed $\\gamma$energy distributions as a function of the mass and charge split, and deduced excitation energy in the fission event. These data will be used to study the origin of fission-fragment angular momenta, examining angular distribution eects as a function of incident neutron energy. The principal application of this work is in meeting the NEA high-priority request for improved $\\gamma$ray data from $^{235}$U(n; F). To improve the detection rate and expand the range of detection angles, STEFF will be modied to include two new ssion-fragment detectors each at 45 to the beam direction.

  17. Gamma-ray peak shapes from cadmium zinc telluride detectors

    Energy Technology Data Exchange (ETDEWEB)

    Namboodiri, M.N.; Lavietes, A.D.; McQuaid, J.H.

    1996-09-01

    We report the results of a study of the peak shapes in the gamma spectra measured using several 5 x 5 x 5 mm{sup 3} cadmium zinc telluride (CZT) detectors. A simple parameterization involving a Gaussian and an exponential low energy tail describes the peak shapes sell. We present the variation of the parameters with gamma energy. This type of information is very useful in the analysis of complex gamma spectra consisting of many peaks.

  18. The Raman and SERS spectra of indigo and indigo-Ag2 complex: DFT calculation and comparison with experiment.

    Science.gov (United States)

    Ricci, Marilena; Lofrumento, Cristiana; Becucci, Maurizio; Castellucci, Emilio M

    2018-01-05

    Using time-dependent density functional theory in conjunction with B3LYP functional and LANL2DZ/6-31+g(d,p) basis sets, static and pre-resonance Raman spectra of the indigo-Ag 2 complex have been calculated. Structure optimization, excitation energies and pre-resonance Raman spectra of the indigo molecule have been obtained at the same level of theory. The available experimental Raman spectra at 1064, 785 and 514nm and the SERS spectra at 785 and 514nm have been well reproduced by the calculation. Experimental SERS spectra are confronted with the calculated pre-resonance Raman spectra obtained for the indigo-Ag 2 complex. The Raman activities calculated under the infinite lifetime approximation show a strong dependence upon the proximity to the energy and the oscillator strength of the excitation electronic transition. The comparison of the integrated EFs for indigo and indigo-Ag 2 calculated Raman spectra, gave some hints as to the enhancement mechanisms acting for the different excitation wavelengths. Whereas for excitation at a wavelength corresponding to 785nm, the enhancement mechanism for the Raman spectrum of the metal complex seems the chemical one, the strong increment (ten times) of the integrated EF of the Raman spectra of the complex in the case of 514nm excitation, suggests the onset of other enhancement mechanisms. Assuming that intra-cluster transitions with high oscillator strength can be thought of as to mimic surface plasmons excitations, we suggest the onset of the electromagnetic mechanisms (EM) as the origin of the Raman spectrum enhancement. Nevertheless, other enhancement effects cannot be ruled out, as a new molecular transition gains strength in the proximity of the excitation wavelength, as a consequence of the symmetry lowering of the molecule in the complex. A large variation across vibrational modes, by a factor of at least 10 4 , was found for the EFs. This large variation in the EFs can indicate that B-term Herzberg-Teller scattering

  19. Photoluminescence and optical absorption spectra of {gamma}{sub 1}-(Ga{sub x}In{sub 1-x}){sub 2}Se{sub 3} mixed crystals

    Energy Technology Data Exchange (ETDEWEB)

    Kranjcec, M. [Department of Geotechnics, University of Zagreb, 7 Hallerova Aleja, Varazdin, 42000 (Croatia); Ruder Boskovic Institute, 54 Bijenicka Cesta, Zagreb, 10000 (Croatia); Studenyak, I.P. [Uzhhorod National University, 46 Pidhirna Str., Uzhhorod, 88000 (Ukraine); Azhniuk, Yu. M. [Institute of Electron Physics, Ukr. Nat. Acad. Sci., 21 Universytetska Str., Uzhhorod, 88000 (Ukraine)

    2005-08-01

    Temperature and compositional studies of photoluminescence and optical absorption edge spectra of {gamma}{sub 1}-(Ga{sub x}In{sub 1-x}){sub 2}Se{sub 3} mixed crystals with x=0.1-0.4 are performed. Exciton and impurity-related photoluminescence bands are revealed at low temperatures and Urbach shape of the absorption edge is observed in the temperature range 77-300 K. Temperature and compositional dependences of the photoluminescence band spectral positions and halfwidths as well as optical pseudogap and absorption edge energy width are investigated. Mechanisms of radiative recombination and optical absorption as well as crystal lattice disordering processes in {gamma}{sub 1}-(Ga{sub x}In{sub 1-x}){sub 2}Se{sub 3} solid solutions are studied. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  20. Modeling the complexity of acoustic emission during intermittent plastic deformation: Power laws and multifractal spectra.

    Science.gov (United States)

    Kumar, Jagadish; Ananthakrishna, G

    2018-01-01

    Scale-invariant power-law distributions for acoustic emission signals are ubiquitous in several plastically deforming materials. However, power-law distributions for acoustic emission energies are reported in distinctly different plastically deforming situations such as hcp and fcc single and polycrystalline samples exhibiting smooth stress-strain curves and in dilute metallic alloys exhibiting discontinuous flow. This is surprising since the underlying dislocation mechanisms in these two types of deformations are very different. So far, there have been no models that predict the power-law statistics for discontinuous flow. Furthermore, the statistics of the acoustic emission signals in jerky flow is even more complex, requiring multifractal measures for a proper characterization. There has been no model that explains the complex statistics either. Here we address the problem of statistical characterization of the acoustic emission signals associated with the three types of the Portevin-Le Chatelier bands. Following our recently proposed general framework for calculating acoustic emission, we set up a wave equation for the elastic degrees of freedom with a plastic strain rate as a source term. The energy dissipated during acoustic emission is represented by the Rayleigh-dissipation function. Using the plastic strain rate obtained from the Ananthakrishna model for the Portevin-Le Chatelier effect, we compute the acoustic emission signals associated with the three Portevin-Le Chatelier bands and the Lüders-like band. The so-calculated acoustic emission signals are used for further statistical characterization. Our results show that the model predicts power-law statistics for all the acoustic emission signals associated with the three types of Portevin-Le Chatelier bands with the exponent values increasing with increasing strain rate. The calculated multifractal spectra corresponding to the acoustic emission signals associated with the three band types have a maximum

  1. Calibration of gamma-ray detectors using Gaussian photopeak fitting in the multichannel spectra with a LabVIEW-based digital system

    Science.gov (United States)

    Schlattauer, Leo; Parali, Levent; Pechousek, Jiri; Sabikoglu, Israfil; Celiktas, Cuneyt; Tektas, Gozde; Novak, Petr; Jancar, Ales; Prochazka, Vit

    2017-09-01

    This paper reports on the development of a gamma-ray spectroscopic system for the (i) recording and (ii) processing of spectra. The utilized data read-out unit consists of a PCI digital oscilloscope, personal computer and LabVIEW™ programming environment. A pulse-height spectra of various sources were recorded with two NaI(Tl) detectors and analyzed, demonstrating the proper usage of the detectors. A multichannel analyzer implements the Gaussian photopeak fitting. The presented method provides results which are in compliance to the ones taken from commercial spectroscopy systems. Each individual hardware or software unit can be further utilized in different spectrometric user-systems. An application of the developed system for research and teaching purposes regarding the design of digital spectrometric systems has been successfully tested at the laboratories of the Department of Experimental Physics.

  2. Study of X-Ray and $\\gamma$-Ray Spectra from Antiprotonic Atoms at the Slowly Extracted Antiproton Beam of LEAR

    CERN Multimedia

    2002-01-01

    This experiment will study the X-ray spectra of antiprotonic atoms and the $\\gamma$ spectra of residual nuclei after the antiproton absorption. We intend to begin with measurements on selected isotopically pure targets. Strong interaction effects, the antiproton absorption and the atomic cascade are analysed through the measurement of energies, lineshapes, relative and absolute intensities of all observable lines. The experiments are continued to determine st in resolved fine structure levels and in different isotopes of the same element. Coincidence techniques may be applied. All components of the experimental set-up are already existing from previous experiments and we could begin the measurements with any slowly extracted beam of low energy at LEAR.

  3. Synthesis, characterization and behavior to gamma radiation of copper (II) complex and l-asparagine

    International Nuclear Information System (INIS)

    Rodrigues, E.R.

    1982-01-01

    Synthesis and caracterization of coordination compound formed by interation between l-asparagina (HL) and copper (II) ion are discussed. Elemental analysis, Visible and Ultraviolet electronic Spectroscopy, Infrared Vibrational Spectroscopy, Proton Nuclear Magnetic Resonance and melting and/or decomposition point are made; it is also possible to: a) Synthesize the complex with high degree of purity; b)determine the #betta# sub(max) for absorption in the Visible and Ultraviolet, as well as the molar absorption coefficient; c) determine the probable structure of the complex; d) calculate the kinetic parameters and the break factor by means of radiolysis in ammoniacal aqueous solution of sample submitted by a 60 Co source of #betta#-radiation (Gamma Cell); e) separate the complex from the ionic fractions formed by radiolysis, by means of cromatography in their layers; f) determine the porcentage of Cu in this complex by neutron activation; g) justify the complex resistence in solid phase, to gamma radiation. (A.R.H.) [pt

  4. Dinitrosyl non-heme iron complexes at the gamma radiation treatment of animals

    International Nuclear Information System (INIS)

    Aliev, D.I.; Alieva, I.N.; Abilov, Z.G.; Gurbanov, I.S.

    2003-01-01

    Full text: At the present time there are a great number investigations dedicated to revealing of mechanism formation of 2,03 complexes at the some pathologies in an organism. These complexes are represented weakly bounded form of non-heme iron, including into beside iron two nitrogen oxide molecules (NO) and two paired RS- groups of proteins or low-molecular compounds. 2,03 complexes are characterized by an axial symmetrical tensory of the g-factor with g=2,037, g=2,012 and g=2,03. In this study the data testifying 2,03 complexes formation into liver of animal treated by the fatal dose of gamma-radiation are reported. The changing of the ESR signal form was observed. It was shown that the form and intensity of the 2,03 signal in healthy and irradiated animals are differ from each other. The analysis of the 2,03 signal parameters is confirm this fact, too. The conclusion was made that 2,03 complexes ESR signal may be considered as an indicator of integrity of intracellular membranes of the gamma-irradiated animals

  5. Measurement and Analysis of the Neutron and Gamma-Ray Flux Spectra in a Neutronics Mock-Up of the HCPB Test Blanket Module

    International Nuclear Information System (INIS)

    Seidel, K.; Freiesleben, H.; Poenitz, E.; Klix, A.; Unholzer, S.; Batistoni, P.; Fischer, U.; Leichtle, D.

    2006-01-01

    The nuclear parameters of a breeding blanket, such as tritium production rate, nuclear heating, activation and dose rate, are calculated by integral folding of an energy dependent cross section (or coefficient) with the neutron (or gamma-ray) flux energy spectra. The uncertainties of the designed parameters are determined by the uncertainties of both the cross section data and the flux spectra obtained by transport calculations. Also the analysis of possible discrepancies between measured and calculated integral nuclear parameter represents a two-step procedure. First, the energy region and the amount of flux discrepancies has to be found out and second, the cross section data have to be checked. To this end, neutron and gamma-ray flux spectra in a mock-up of the EU Helium-Cooled Pebble Bed (HCPB) breeder Test Blanket Module (TBM), irradiated with 14 MeV neutrons, were measured and analysed by means of Monte Carlo transport calculations. The flux spectra were determined for the energy ranges that are relevant for the most important nuclear parameters of the TBM, which are the tritium production rate and the shielding capability. The fast neutron flux which determines the tritium production on 7 Li and dominates the shield design was measured by the pulse-height distribution obtained from an organic liquid scintillation detector. Simultaneously, the gamma-ray flux spectra were measured. The neutron flux at lower energies, down to thermal, which determines the tritium production on 6 Li, was measured with time-of-arrival spectroscopy. For this purpose, the TUD neutron generator was operated in pulsed mode (pulse width 10 μs, frequency 1 kHz) and the neutrons arriving at a 3 He proportional counter in the mock-up were recorded as a function of time after the source neutron pulse. The spectral distributions for the two positions in the mock-up, where measurements were carried out, were calculated with the Monte Carlo code MCNP, version 5, and nuclear data from the

  6. Cloning, characterization and sub-cellular localization of gamma subunit of T-complex protein-1 (chaperonin) from Leishmania donovani

    Energy Technology Data Exchange (ETDEWEB)

    Bhaskar,; Kumari, Neeti [Division of Biochemistry, CSIR-Central Drug Research Institute, Chattar Manzil Palace, PO Box 173, Lucknow (India); Goyal, Neena, E-mail: neenacdri@yahoo.com [Division of Biochemistry, CSIR-Central Drug Research Institute, Chattar Manzil Palace, PO Box 173, Lucknow (India)

    2012-12-07

    Highlights: Black-Right-Pointing-Pointer The study presents cloning and characterization of TCP1{gamma} gene from L. donovani. Black-Right-Pointing-Pointer TCP1{gamma} is a subunit of T-complex protein-1 (TCP1), a chaperonin class of protein. Black-Right-Pointing-Pointer LdTCP{gamma} exhibited differential expression in different stages of promastigotes. Black-Right-Pointing-Pointer LdTCP{gamma} co-localized with actin, a cytoskeleton protein. Black-Right-Pointing-Pointer The data suggests that this gene may have a role in differentiation/biogenesis. Black-Right-Pointing-Pointer First report on this chapronin in Leishmania. -- Abstract: T-complex protein-1 (TCP1) complex, a chaperonin class of protein, ubiquitous in all genera of life, is involved in intracellular assembly and folding of various proteins. The gamma subunit of TCP1 complex (TCP1{gamma}), plays a pivotal role in the folding and assembly of cytoskeleton protein(s) as an individual or complexed with other subunits. Here, we report for the first time cloning, characterization and expression of the TCP1{gamma} of Leishmania donovani (LdTCP1{gamma}), the causative agent of Indian Kala-azar. Primary sequence analysis of LdTCP1{gamma} revealed the presence of all the characteristic features of TCP1{gamma}. However, leishmanial TCP1{gamma} represents a distinct kinetoplastid group, clustered in a separate branch of the phylogenic tree. LdTCP1{gamma} exhibited differential expression in different stages of promastigotes. The non-dividing stationary phase promastigotes exhibited 2.5-fold less expression of LdTCP1{gamma} as compared to rapidly dividing log phase parasites. The sub-cellular distribution of LdTCP1{gamma} was studied in log phase promastigotes by employing indirect immunofluorescence microscopy. The protein was present not only in cytoplasm but it was also localized in nucleus, peri-nuclear region, flagella, flagellar pocket and apical region. Co-localization of LdTCP1{gamma} with actin suggests

  7. Measurement of keV-neutron capture cross sections and capture gamma-ray spectra of Er isotopes

    International Nuclear Information System (INIS)

    Harun-Ar-Rashid, A.K.M.; Igashira, Masayuki; Ohsaki, Toshiro

    2000-01-01

    Neutron capture cross sections and capture γ-ray spectra of 166,167, 168 Er were measured in the energy region of 10 to 550 keV. The measurements were performed with a pulsed 7 Li(p,n) 7 Be neutron source and a large anti-Compton NaI(Tl) γ-ray spectrometer. A pulse-height weighting technique and the standard capture cross sections of gold were used to derive the capture cross sections. The errors of the derived cross sections were about 5%. The present results were compared with other measurements and evaluations. The observed capture γ-ray pulse-height spectra were unfolded to obtain the corresponding γ-ray spectra. An anomalous shoulder was observed around 3 MeV in each of the capture γ-ray spectra. (author)

  8. Complex resistivity spectra in relation to multiscale pore geometry in carbonates and mixed-siliciclastic rocks

    Science.gov (United States)

    Norbisrath, Jan Henrik

    Carbonate rocks are known to have complex and heterogeneous pore structures, which result from their biogenic origin and strong affinity for diagenetic processes that change their pore structure after burial. The combination of sheer endless variations of precursor biogenic material, depositional environments, and diagenetic effects results in rocks that are interesting to study but intricate to understand. Many schemes to categorize the diversity of carbonate rocks are in use today; most are based on the macropore structure and qualitative thin-section analysis. Many studies, however, acknowledge that micropores have a significant influence on the macroscopic petrophysical rock properties, which are essential to determine reservoir quality. Micropores are, by definition, smaller than the thickness of a thin-section (four major carbonate microporosity types: (1) small intercrystalline, (2) large inter-crystalline, (3) intercement, and (4) micromoldic. Each microporosity type shows a distinct capacity to conduct electrical charge, which largely controls the magnitude and range of cementation factors (m) in rocks with such microporosity type. The BIB-SEM method is also used on a dataset of mixed carbonate-siliciclastic (mudrock) samples with high kerogen and pyrite content. Results show that the nanopore geometry here has little influence on cementation factors, and instead porosity is the main control on m in mudrocks. Cementation factors are crucial for estimates of oil-in-place and water saturation in a wireline application, and a slight change of (assumed) cementation factor can change the interpreter's evaluation from dry hole to discovery. Therefore, accurate determination of cementation factors is a critical task in formation evaluation, similar to accurate estimates of permeability. To achieve this goal, this dissertation utilizes a new approach of using complex resistivity spectra (CRS) to assess the pore geometry and its resulting electrical and fluid flow

  9. Quantitative Quantum Mechanical Spectral Analysis (qQMSA) of (1)H NMR spectra of complex mixtures and biofluids.

    Science.gov (United States)

    Tiainen, Mika; Soininen, Pasi; Laatikainen, Reino

    2014-05-01

    The quantitative interpretation of (1)H NMR spectra of mixtures like the biofluids is a demanding task due to spectral complexity and overlap. Complications may arise also from water suppression, T2-editing, protein interactions, relaxation differences of the species, experimental artifacts and, furthermore, the spectra may contain unknown components and macromolecular background which cannot be easily separated from baseline. In this work, tools and strategies for quantitative Quantum Mechanical Spectral Analysis (qQMSA) of (1)H NMR spectra from complex mixtures were developed and systematically assessed. In the present approach, the signals of well-defined, stoichiometric components are described by a QM model, while the background is described by a multiterm baseline function and the unknown signals using optimizable and adjustable lines, regular multiplets or any spectral structures which can be composed from spectral lines. Any prior knowledge available from the spectrum can also be added to the model. Fitting strategies for weak and strongly overlapping spectral systems were developed and assessed using two basic model systems, the metabolite mixtures without and with macromolecular (serum) background. The analyses show that if the spectra are measured in high-throughput manner, the consistent absolute quantification demands some calibration to compensate the different response factors of the protons and compounds. On the other hand, the results show that also the T2-edited spectra can be measured so that they obey well the QM rules. In general, qQMSA exploits and interprets the spectral information in maximal way taking full advantage from the QM properties of the spectra and, at the same time, offers chemical confidence which means that individual components can be identified with high confidence on the basis of their accurate spectral parameters. Copyright © 2014 Elsevier Inc. All rights reserved.

  10. The structure of control and data transfer management system for the GAMMA-400 scientific complex

    International Nuclear Information System (INIS)

    Arkhangelskiy, A I; Bobkov, S G; Serdin, O V; Gorbunov, M S; Topchiev, N P

    2016-01-01

    A description of the control and data transfer management system for scientific instrumentation involved in the GAMMA-400 space project is given. The technical capabilities of all specialized equipment to provide the functioning of the scientific instrumentation and satellite support systems are unified in a single structure. Control of the scientific instruments is maintained using one-time pulse radio commands, as well as program commands in the form of 16-bit code words, which are transmitted via onboard control system and scientific data acquisition system. Up to 100 GByte of data per day can be transferred to the ground segment of the project. The correctness of the proposed and implemented structure, engineering solutions and electronic elemental base selection has been verified by the experimental working-off of the prototype of the GAMMA-400 scientific complex in laboratory conditions. (paper)

  11. The radiolysis of CMPO: effects of acid, metal complexation and alpha vs. gamma radiation

    Energy Technology Data Exchange (ETDEWEB)

    Bruce J. Mincher; Stephen P. Mezyk; Gary S. Groenewold

    2016-05-01

    Abstract The group actinide/lanthanide complexing agent octylphenylcarbamoylmethyl phosphine oxide (CMPO) has been examined for its radiation stability by measuring the kinetics of its reactions with free radicals in both the aqueous and organic phases for the free and metal-complexed ligand, identifying its degradation products for both alpha and gamma irradiation, measuring the effects on solvent extraction performance, and measuring the G-values for its degradation under various conditions. This includes the G-values for CMPO in the absence of, and in contact with the acidic aqueous phase, where it is shown that the acidic aqueous phase provides radio-protection for this ligand. It was found that both solvent and metal complexation affect the kinetics of the reaction of the •NO3 radical, a product of HNO3 radiolysis, with CMPO. For example, CMPO complexed with lanthanides has a rate constant for this reaction an order of magnitude higher than for the free ligand, and the reaction for the free ligand in the organic phase is about three times faster than in the aqueous phase. In steady state radiolysis kinetics it was determined that HNO3, although not NO3- anion, provides radio-protection to CMPO, with the G-value for its degradation decreasing with increasing acidity, until it was almost completely suppressed by irradiation in contact with 5 M HNO3. The same degradation products were produced by irradiation with alpha and gamma-sources, except that the relative abundances of these products varied. For example, the product of C-C bond scission was produced only in low amounts for gamma-radiolysis, but it was an important product for samples irradiated with a He ion beam. These results are compared to the new data appearing in the literature on DGA radiolysis, since CMPO and the DGAs both contain the amide functional group.

  12. Optical and ESR spectra of gamma irradiated glasses in the Ba(PO/sub 3/)/sub 2/-LiF system

    Energy Technology Data Exchange (ETDEWEB)

    Bocharova, T.V.; Karapetyan, G.O.; Khalilev, V.D.; Yashchurzhinskaya, O.A.

    1985-11-01

    This study obtains the ESR and optical absorption spectra for glasses in the Ba(PO/sub 3/)/sub 2/-LiF system. Obtaining radiation color centers (RCC) induced by ionizing radiation in alkali halide crystals (AHC), in particular LiF, has been given an enormous practical impetus according to the authors, because of the development of lasers and passive laser gates based on AHC with color centers. The glasses studied were synthesized from reagents of ''exceptionally pure'' and ''chemically pure'' grades in vitreous carbon crucibles in a dry argon atmosphere at 900-1000/sup 0/C for 60 min. followed by an anneal in a muffle at 300-450/sup 0/C. The compositions of the experimental specimens and the spectra of their optical parameters are given. The addition of up to 60 mole% of LiF does not lead to the emergence of additional absorption band (AAB) or ESR signals associated with F centers formed by gamma radiation in an LiF single crystal. As a result of gamma irradiation of glasses activated by terbium, RCC are formed which are probably electron trapping centers and correspond to the paramagnetic center (PMC).

  13. Use of the response function in the analysis of complex neutron spectra

    International Nuclear Information System (INIS)

    Kegel, G.H.R.; Ciarcia, C.; Couchell, G.P.; Shao, J.

    1974-01-01

    Neutron time-of-flight spectra with overlapping peaks must be unfolded to yield contributions of individual neutron groups. This requires an accurate knowledge of the resolution profile of each group. It is also desirable to know the shape of the spectra of neutrons which were scattered more than once in the scatterer, so that corrections for multiple interactions can be made. These resolution profiles and spectra shapes are not readily available. We have developed a series of measures to account for these effects in our work. We monitor the neutron target thickness during target preparation with a separate time-of-flight spectrometer; we measure detector and accelerator time resolutions for different neutron energies using a thin target and we use computer codes to simulate those factors not amenable to direct measurement

  14. 35Cl, sup(79,81)Br NQR spectra of chalcogenide molybdenum (5) complexes

    International Nuclear Information System (INIS)

    Fokina, Z.A.; Kuznetsov, S.I.; Timoshchenko, N.I.; Kolesnichenko, V.L.; Bryukhova, E.V.; Semin, G.K.

    1984-01-01

    The NQR spectra of molybdenum thioselenohalogenides MoS 2 SeX 5 (X=Cl, Br) are studied. A high-frequency doublet and a low-frequency triplet are observed in both spectra, one of the lines in the latter being noticeably higher by frequency than two others. The NKR spectra structure, with accoUnt of data on thermography and IR-spectroscopy, points to the MoS 2 X 3 xSeX 2 strrcture where two halide atoms are bound with a chalcogen atom and three others with Mo, one of the three chalcogen atoms being in trans-position to SeX 2 . Essential splittings in low-frequency triplet take place at the expense of intrasphere effect of coordinated S 2 -2 and SeX 2 groups

  15. A Study of the 384 KeV Complex Gamma Emission from Plutonium-239

    International Nuclear Information System (INIS)

    Forsyth, R.S.; Ronqvist, N.

    1965-11-01

    Plutonium-239 has been reported to emit a gamma of energy 384 KeV. Subsequent workers, using radiation of this energy as a nondestructive measure of the plutonium content of various materials, found that the peak obtained by sodium iodide scintillation spectrometry showed a pronounced shoulder at about 330 KeV. This shoulder has been attributed to protactinium-233 and to uranium-237. From the width of the peak, however, it is obvious that at least three contributors are present. The present paper describes gamma spectrometric studies of plutonium samples of several isotopic compositions using a sodium iodide detector and a lithium-drifted germanium detector. The 384 KeV peak has been shown to be a complex peak containing 12 gamma components due to plutonium-239 between 300 - 450 KeV, and their relative intensities have been estimated. Anion exchange and solvent extraction experiments have also demonstrated that two further contributions due to uranium-237 are present in plutonium containing significant amounts of plutonium-241

  16. Monitoring and Analysis of Environmental Gamma Dose Rate around Serpong Nuclear Complex

    Directory of Open Access Journals (Sweden)

    I.P. Susila

    2017-08-01

    Full Text Available An environmental radiation monitoring system that continuously measures gamma dose rate around nuclear facilities is an important tool to present dose rate information to the public or authorities for radiological protection during both normal operation and radiological accidents. We have developed such a system that consists of six GM-based device for monitoring the environmental dose rate around Serpong Nuclear Complex. It has operated since 2010. In this study, a description of the system and analysis of measured data are presented. Analysis of the data for the last five years shows that the average dose rate levels were between 84-99 nSv/h which are still lower than terrestrial gamma radiation levels at several other locations in Indonesia. Time series analysis of the monitoring data demonstrates a good agreement between an increase in environmental gamma dose rate and the presence of iodine and argon in the air by in situ measurement. This result indicates that system is also effective for an early warning system in the case of radiological emergency.

  17. A Study of the 384 KeV Complex Gamma Emission from Plutonium-239

    Energy Technology Data Exchange (ETDEWEB)

    Forsyth, R S; Ronqvist, N

    1965-11-15

    Plutonium-239 has been reported to emit a gamma of energy 384 KeV. Subsequent workers, using radiation of this energy as a nondestructive measure of the plutonium content of various materials, found that the peak obtained by sodium iodide scintillation spectrometry showed a pronounced shoulder at about 330 KeV. This shoulder has been attributed to protactinium-233 and to uranium-237. From the width of the peak, however, it is obvious that at least three contributors are present. The present paper describes gamma spectrometric studies of plutonium samples of several isotopic compositions using a sodium iodide detector and a lithium-drifted germanium detector. The 384 KeV peak has been shown to be a complex peak containing 12 gamma components due to plutonium-239 between 300 - 450 KeV, and their relative intensities have been estimated. Anion exchange and solvent extraction experiments have also demonstrated that two further contributions due to uranium-237 are present in plutonium containing significant amounts of plutonium-241.

  18. Ruthenium(II) chloro-bis(bipyridyl) complexes with substituted pyridine ligands: interpretation of their electronic absorption spectra

    International Nuclear Information System (INIS)

    Sizova, O.V.; Ershov, A.Yu.; Ivanova, N.V.; Shashko, A.D.; Kutejkina-Teplyakova, A.V.

    2003-01-01

    A number of complexes cis-[Ru(Bipy) 2 (L)(Cl)](BF 4 ), where Bipy-2,2'-bipyridine, L-pyridine, 4-aminopyridine, 4-picoline, nicotinamide, isonicotinamide, 3- and 4-cyanopyridine, 4,4'-bipyridine, trans-1,2-bis(4-pyridyl)ethylene, 4,4'-azopyridine, pyrazine, imidazole and NH 3 , were prepared. Using the CINDO-CI semiempirical method the energies and intensities of transition in electronic absorption spectra (EAS) of the complexes were calculated. It is shown that major differences in EAS of the compounds stem from position of transitions with charge transfer d π (Ru)→π*(L) [ru

  19. Behavior of the nucleic acid ethidium complex sedimentation of human lymphocytes after gamma irradiation

    International Nuclear Information System (INIS)

    Langrock, K.

    1982-01-01

    Under standardized conditions the repair kinetic test by Fender and Hartwig demonstrates the dose dependence of the injury of the nucleic acid complex of human lymphocytes after gamma irradiation and their repair even in low dose regions. Seasonal changes with infect incubation, individual variability in the lymphocyte population and culture conditions are to be proved before clinical application of the test in radiotherapy to generalize the influence of the factors. 3.4 up to 6 μg/ml ethidium bromide should be chosen as an optimum ethidium concentration of the gradient. (author)

  20. Find - a computer program for peak search in gamma-ray spectra measured with Ge (Li) detectors

    International Nuclear Information System (INIS)

    Venturini, L.

    1988-01-01

    The program FIND is a FORTRAN IV computer code for peak search in spectra measured with Ge(Li) detectors. The program gives the position and estimates energy and relative significance for every peak found in the spectrum. The search in done by calculating a negative smoothed second difference of the experimental spectrum, as suggested by Phillips and Marlow (1). (author) [pt

  1. Method for improvement of gamma-transition cascade spectra amplitude resolution by computer processing of coincidence codes

    International Nuclear Information System (INIS)

    Sukhovoj, A.M.; Khitrov, V.A.

    1982-01-01

    A method of improvement of amplitude resolution in the case of record of coinciding codes on the magnetic tape is suggested. It is shown on the record with Ge(Li) detectors of cascades of gamma-transitions from the 35 Cl(n, #betta#) reaction that total width at a half maximum of the peak may decrease by a factor of 2.6 for quanta with the energy similar to the neutron binding energy. Efficiency loss is absent

  2. Study of the effect of gamma radiation on the molecule of tetracycline concerning its behavior as complexing and extracting agent; Estudo do efeito da radiacao gama sobre a molecula de tetraciclina relativamente ao seu comportamento como agente complexante e extrator

    Energy Technology Data Exchange (ETDEWEB)

    Andrade e Silva, Leonardo Gondim de

    1982-07-01

    Both solvent extraction and spectrophotometric techniques were used to show the alterations that gamma radiation causes in the behavior of tetracycline molecule as far as its extracting and complexing power are concerned. The effect of gamma radiation on the solid tetracycline molecule, benzyl alcohol and on the solution of both was examined in solvent extraction systems whose aqueous phases were made up by {sup 152} Eu-{sup 154}Eu radioactive tracer solutions and whose organic phases were constituted by tetracycline-benzyl alcohol solutions. Experiments were performed in order to determine whether or not the water used for the pre-saturation of benzyl alcohol would influence the radiolysis of tetracycline. Solvent extraction and spectrophotometry were the techniques used to obtain the necessary data. Absorption spectra of irradiated tetracycline benzyl alcohol solutions submitted to several gamma radiation doses were examined and the alterations shown by these spectra were examined. The effect of gamma radiation on the tetracycline molecule was also studied when tetracycline-benzyl alcohol solutions were irradiated under several gaseous atmospheres, namely: O{sub 2}, N{sub 2}, SF{sub 6} and N{sub 2}O. The variation on the concentration of the tetracycline-benzyl alcohol solution caused by several doses of gamma radiation was determined by using the spectrophotometric technique. (author)

  3. Residual dipolar couplings in sup 3 sup 1 P MAS spectra of PPh sub 3 substituted cobalt complexes

    CERN Document Server

    Szalontai, G

    2002-01-01

    Residual dipolar couplings between sup 3 sup 1 P- sup 5 sup 9 Co spin pairs were studied in sup 3 sup 1 P MAS spectra of mono- and dinuclear cobalt-triphenylphosphine complexes. These spectra can provide important information such as the scalar coupling between the dipolar phosphorus and the quadrupolar cobalt nuclei normally not available from solution phase studies. In case of complementary (NQR or x-ray) data even the relative orientation of the interacting shielding, dipolar, scalar couplings, and electric field gradient tensors or internuclear distances can be determined. Examples are shown both for well resolved and practically unresolved cases, factors which possibly control the spectral resolution are discussed in detail. (author)

  4. Main building complex WWER 440/213 upper range design response spectra for soft soil site conditions (Paks)

    International Nuclear Information System (INIS)

    Krutzik, N.

    1996-01-01

    Within the Benchmark studies parallel investigation were prepared for the main building complex of the WWER-440/213 Paks NPP by several participating institutions. The investigations were based on various mathematical models and procedures but all had the same seismological data as input. The calculation methods as well as software tools were different. This report covers the enveloped response results which were the basis for the benchmark studies and which should be used for upgrading of mechanical and electrical components and systems which will follow. These response spectra which consider a certain conservatism namely neglecting the frequency independence of the stiffness and the cut-off of damping values are named 'Upper Range design Benchmark Response Spectra' for the main building of Paks NPP

  5. Main building complex WWER 440/213 upper range design response spectra for soft soil site conditions (Paks)

    Energy Technology Data Exchange (ETDEWEB)

    Krutzik, N [Siemens AG, Power Generation Group (KWU) NDA2, Offenbach (Germany)

    1996-07-01

    Within the Benchmark studies parallel investigation were prepared for the main building complex of the WWER-440/213 Paks NPP by several participating institutions. The investigations were based on various mathematical models and procedures but all had the same seismological data as input. The calculation methods as well as software tools were different. This report covers the enveloped response results which were the basis for the benchmark studies and which should be used for upgrading of mechanical and electrical components and systems which will follow. These response spectra which consider a certain conservatism namely neglecting the frequency independence of the stiffness and the cut-off of damping values are named 'Upper Range design Benchmark Response Spectra' for the main building of Paks NPP.

  6. Effects of excited state mixing on transient absorption spectra in dimers Application to photosynthetic light-harvesting complex II

    CERN Document Server

    Valkunas, L; Trinkunas, G; Müller, M G; Holzwarth, A R

    1999-01-01

    The excited state mixing effect is taken into account considering the difference spectra of dimers. Both the degenerate (homo) dimer as well as the nondegenerate (hetero) dimer are considered. Due to the higher excited state mixing with the two-exciton states in the homodimer, the excited state absorption (or the difference spectrum) can be strongly affected in comparison with the results obtained in the Heitler-London approximation. The difference spectrum of the heterodimer is influenced by two resonance effects (i) mixing of the ground state optical transitions of both monomers in the dimer and (ii) mixing of the excited state absorption of the excited monomer with the ground state optical transition in the nonexcited monomer. These effects have been tested by simulating the difference absorption spectra of the light-harvesting complex of photosystem II (LHC II) experimentally obtained with the 60 fs excitation pulses at zero delay times and various excitation wavelengths. The pairs of coupled chlorophylls...

  7. Evaluation of a protable computer to reduce in-field gamma-ray spectra for plutonium isotopic ratios

    International Nuclear Information System (INIS)

    De Carolis, M.

    1981-08-01

    The experiments were carried out to test and evaluate the Gamma Spectrometry Data Processor Unit developed for the IAEA safeguards. In the report the results of Pu isotopic ratios obtained by the Data Processor and by the IAEA Nuclear Data 6620 using the INEL programme are presented in the energy interval 120-208 KeV. Two measurement campaigns on Pu samples were performed: the first at SAL-Seibersdorf and the second at the Kernforschunszentrum in Karlsruhe. Results obtained by inspections on Pu rods are also reported

  8. Mass spectra of alkaline earth salts with a FAB source. Complexation with crown ethers

    International Nuclear Information System (INIS)

    Ulrich, J.

    1987-01-01

    With a liquid desorption FAB source it is possible to obtain alkaline earth metal ions complexed by a crown ether. Conditions for formation of these complexes ions are examined for selection of the complexing agent in function of cation size. Behaviour of alkaline and alkaline earth compounds are compared allowing the differentiation of ion extraction phenomena by liquid desorption ion source and solvent extraction [fr

  9. Electroluminescence and photosensitivity spectra of organic diode structures based on zinc complexes

    Science.gov (United States)

    Kaplunov, M. G.; Krasnikova, S. S.; Nikitenko, S. L.; Yakushchenko, I. K.

    2017-01-01

    Devices based on zinc complexes with sulphanylaminosubstituted ligands are characterized by dual function - electroluminescence (EL) and photosensitivity. Both EL and photosensitivity are associated with the formation of exciplexes.

  10. Monte Carlo simulations of channeling spectra recorded for samples containing complex defects

    Energy Technology Data Exchange (ETDEWEB)

    Jagielski, Jacek [Institute for Electronic Materials Technology; Turos, Prof. Andrzej [Institute for Electronic Materials Technology; Nowicki, Lech [Soltan Institute for Nuclear Studies, Swierk, Poland; Jozwik, P. [Institute for Electronic Materials Technology; Shutthanandan, Vaithiyalingam [Pacific Northwest National Laboratory (PNNL); Zhang, Yanwen [ORNL; Sathish, N. [Institute for Electronic Materials Technology; Thome, Lionel [Universite Paris Sud, Orsay, France; Stonert, A. [Soltan Institute for Nuclear Studies, Swierk, Poland; Jozwik-Biala, Iwona [Institute for Electronic Materials Technology

    2012-01-01

    The aim of the present paper is to describe the current status of the development of McChasy, a Monte Carlo simulation code, to make it suitable for the analysis of dislocations and dislocation loops in crystals. Such factors like the shape of the bent channel and geometrical distortions of the crystalline structure in the vicinity of dislocation has been discussed. The results obtained demonstrate that the new procedure applied to the spectra recorded on crystals containing dislocation yields damage profiles which are independent of the energy of the analyzing beam.

  11. Experimental determination of the atmospheric gamma photons spectra at 12 GeV cut-off rigidity

    International Nuclear Information System (INIS)

    Martin, I.M.; Dutra, S.L.G.; Palmeira, R.; Vedrenne, G.; Albernhe, F.

    1974-01-01

    The energy spectrum of atmospheric gamma-rays from 0.9 to 18.0 MeV has been measured as a function of altitude in a series of two balloon flights from Sao Jose dos Campos, Sao Paulo, Brazil (12 GV cut-off rigidity). The detector used was a 4' x 4' NaI (Tl) crystal with a 1 cm thick plastic scintillator anti-coincidence shield, connected to a 128 channel pulse height analyser. Above 20g/cm 2 , the energy spectrum could be fitted to a power law with exponent 1.0 +- -+ 0.1 independent of the altitude. From 20 to 760 g/cm 2 , the spectrum was found to be somewhat steeper with the exponential index being 1.3 +- -+ 0.1. At 3.5 g/cm 2 , the gamma-ray flux was 0.30 photons/cm 2 -s at 1 MeV. These measurements are discussed and compared with calculated results [pt

  12. Study of electron spectra of lanthanide complexes with carbonyl-containing reagents

    International Nuclear Information System (INIS)

    Tishchenko, M.A.; Gerasimenko, G.I.; Markina, A.I.; Tishchenko, V.V.; Rybalka, V.B.; Tsitko, A.S.

    1990-01-01

    Interaction of lanthanide complexes (Ln=Er, Nd, Ho) of 2-acetylindandione-1,3 with polyphenols was investigated by the methods of electron spectroscopy. Position, intensity, oscillator strengths of supersensitive transitions, formed in the system of different-ligand complexes were determined. 10 refs.; 4 figs.; 3 tabs

  13. SAMPO, A Fortran IV Program for Computer Analysis of Gamma Spectrafrom Ge(Li) Detectors, and for Other Spectra with Peaks

    Energy Technology Data Exchange (ETDEWEB)

    Routti, Jorma T.

    1969-10-20

    SAMPO is a Fortran IV program written to perform the data- reduction analysis described by J. T. Routti and S. G. Prussin in Photopeak Method for the Computer Analysis of Gamma-Ray Spectra from Semiconductor Detectors, Nuclear Instruments and Methods 72, 125-142 (1969). The code has also been used to analyze other spectra with peaks and continua. Program SAMPO can be used for an automatic off-line or an interactive on-line analysis. It includes algorithms for line-shape, energy, and efficiency calibrations, and peak-search and peak-fitting routines. Different options are available to make the code applicable to accurate nuclear spectroscopic work as well as to routine data reduction. The mathematical methods and their coding are briefly described. Instructions for using the program and for preparing input data are given and the optimal strategies for running the code are discussed. Instructions are given for using the LRL program library version of SAMPO and for obtaining source decks.

  14. Electroluminescence and photosensitivity spectra of organic diode structures based on zinc complexes

    International Nuclear Information System (INIS)

    Kaplunov, M.G.; Krasnikova, S.S.; Nikitenko, S.L.; Yakushchenko, I.K.

    2017-01-01

    Devices based on zinc complexes with sulphanylaminosubstituted ligands are characterized by dual function – electroluminescence (EL) and photosensitivity. Both EL and photosensitivity are associated with the formation of exciplexes.

  15. Infrared spectra of proton transfer complexes of the cycleanine alkaloid in solid state

    Science.gov (United States)

    Kasende, Okuma E.; de Waal, D.

    2003-01-01

    Proton transfer complexes obtained between the cycleanine alkaloid and hydrogen chloride, hydrogen bromide and nitric acids have been investigated by infrared spectroscopic technique between 4000 and 400 cm -1 in KBr. The vibrational perturbations brought about by proton transfer complex formation, discussed in terms of preferred site of interaction, show that the proton of the inorganic acids is transferred to cycleanine through one of its N sites.

  16. LSHINSE, Air Scattering Neutron and Gamma Dose rates for Complex Shielding Geometry

    International Nuclear Information System (INIS)

    Baran, A.; Gruen, M.; Leicht, R.

    1991-01-01

    1 - Description of program or function: The program LSHINSE is used to calculate the flux and the dose rate caused by gamma radiation emanating from a point source and being scattered in surrounding air. The program considers all forms of single scattering. Multiple scattering is taken into account in an approximate way by use of buildup factors. 2 - Method of solution: The program LSHINSE solves the equations for skyshine by use of Simpson integration. The integration limits are chosen such that the partial shielding is approximated by rectangular walls around the source. In addition, the attenuation of the primary radiation by a room ceiling can be calculated for several materials. By giving the height of the ceiling, the scattering in the air of the room can be calculated. By specifying energy groups the spectrum of the scattered radiation can be obtained. Valid energy range is 0.1 - 0.2 MeV, where the lower limit is due to uncertainties in the buildup factors. 3 - Restrictions on the complexity of the problem: The program is restricted to rectangular shielding problems involving gamma radiation in the range of 0.1 to 2.0 MeV

  17. Influence of complexes of iron on genetic changes at gamma-irradiated wheat

    International Nuclear Information System (INIS)

    Shamilov, E. N.; Rzayev, A.A.; Huseynova, Z.H; Mamedli, S.A; Azizov, I.V.

    2006-01-01

    Full text: At the result of research action of salts of some metals on living organisms their preventive and therapeutic action is revealed. It was revealed, that metals in structure of organic complex connections are less toxic, than as inorganic salts. Presence of organic ligand gives metallic-complexes lipophilically, will neutralize electrostatistical charges of metals therefore their transport through cellular membranes is strongly facilitated. In this connection rather expedient study of radioprotector properties of trivalent metals and their complexes is represented. Use of iron as a radioprotector is caused with its ability to steady complexing biogenic character. As objects of researches are taken seeds drought-resistant firm of wheat Triticum L. Seeds subjected to the general uniform scale of irradiation-from a source 60 Co and gamma to installation R khund a t average capacity of a doze of radiation dose rate (D R=0,024 Gy/s). Before the irradiation seeds have been processed pyrocatechol, iron pyrocatechol, thiocarbamide, iron-thiocarbamide, rutin and iron rutin at concentration 10 2 M. For synthesis of complexes used chloride of iron (III), thiocarbamide, pyrocatechol marks a .p.a. . Routines (3- ramnoglycoside-3,5,7,3,4-penta-oksi-flavone, chartreuse fine-grained a powder) have received from (Sophora japonica L.): Synthesis complexes of iron carried out by the following technique: stoichiometric quantity of thiocarbamide, pyrocatechol and routine dissolved separately in 50 ml isopropyl alcohol. A solution of chloride of iron (III) deposits dropped out, separated, dried up to constant weight was added to the received solutions in the portions at hashing.

  18. Infrared spectra of complex organic molecules in astronomically relevant ice matrices. I. Acetaldehyde, ethanol, and dimethyl ether

    Science.gov (United States)

    Terwisscha van Scheltinga, J.; Ligterink, N. F. W.; Boogert, A. C. A.; van Dishoeck, E. F.; Linnartz, H.

    2018-03-01

    Context. The number of identified complex organic molecules (COMs) in inter- and circumstellar gas-phase environments is steadily increasing. Recent laboratory studies show that many such species form on icy dust grains. At present only smaller molecular species have been directly identified in space in the solid state. Accurate spectroscopic laboratory data of frozen COMs, embedded in ice matrices containing ingredients related to their formation scheme, are still largely lacking. Aim. This work provides infrared reference spectra of acetaldehyde (CH3CHO), ethanol (CH3CH2OH), and dimethyl ether (CH3OCH3) recorded in a variety of ice environments and for astronomically relevant temperatures, as needed to guide or interpret astronomical observations, specifically for upcoming James Webb Space Telescope observations. Methods: Fourier transform transmission spectroscopy (500-4000 cm-1/20-2.5 μm, 1.0 cm-1 resolution) was used to investigate solid acetaldehyde, ethanol and dimethyl ether, pure or mixed with water, CO, methanol, or CO:methanol. These species were deposited on a cryogenically cooled infrared transmissive window at 15 K. A heating ramp was applied, during which IR spectra were recorded until all ice constituents were thermally desorbed. Results: We present a large number of reference spectra that can be compared with astronomical data. Accurate band positions and band widths are provided for the studied ice mixtures and temperatures. Special efforts have been put into those bands of each molecule that are best suited for identification. For acetaldehyde the 7.427 and 5.803 μm bands are recommended, for ethanol the 11.36 and 7.240 μm bands are good candidates, and for dimethyl ether bands at 9.141 and 8.011 μm can be used. All spectra are publicly available in the Leiden Database for Ice.

  19. X-hitting: A new algorithm for novelty detection and dereplication by UV spectra of complex mixtures of natural products

    DEFF Research Database (Denmark)

    Hansen, Michael Edberg; Smedsgaard, Jørn; Larsen, Thomas Ostenfeld

    2005-01-01

    A major challenge in lead discovery is to detect well-known and trivial compounds rapidly, a process known as dereplication, so that isolation, structure elucidation, and pharmacological investigations can be focused on novel compounds. In this paper, we present a new algorithm, X-hitting, based...... on cross sample comparison of full UV spectra from HPLC analysis of highly complex natural product extracts/samples. X-Hitting allows automatic identification of known compounds but more important also allows finding of potentially new or similar compounds. We demonstrate this new algorithm by automatic...... identification of known structures, a task we call cross-hitting, and tentative identification of potentially new bioactive compounds, a task we call new-hitting, in HPLC data from analysis of fungal extracts. Both tasks are illustrated using 18 important reference compounds and complex fungal extracts obtained...

  20. The Fourier Transform Microwave (ftmw) Spectra of Cyclohexene Oxide and its Argon Complex

    Science.gov (United States)

    Frohman, Daniel J.; Novick, Stewart E.; Pringle, Wallace C.

    2012-06-01

    The microwave spectrum of cyclohexene oxide and its isotopologues have been observed and assigned, improving upon previous rotational studies of this molecule. Additionally, the 17O isotopomer of cyclohexene oxide and the Ar complex of the normal isotopologue of cyclohexene oxide have been fit for the first time. Fits for the 13C-cyclohexene oxide Ar complexes will also be presented. Tatsuya Ikeda, Roger Kewley, and R. F. Curl, Jr. J. Mol. Spectrosc., 4} (1972), 459-469. Raquel Sánchez, Susana Blanco, Juan C. López, and José L. Alonso. J. Mol. Struct., 780-781 (2006), 57-64.

  1. Chemometric and Statistical Analyses of ToF-SIMS Spectra of Increasingly Complex Biological Samples

    Energy Technology Data Exchange (ETDEWEB)

    Berman, E S; Wu, L; Fortson, S L; Nelson, D O; Kulp, K S; Wu, K J

    2007-10-24

    Characterizing and classifying molecular variation within biological samples is critical for determining fundamental mechanisms of biological processes that will lead to new insights including improved disease understanding. Towards these ends, time-of-flight secondary ion mass spectrometry (ToF-SIMS) was used to examine increasingly complex samples of biological relevance, including monosaccharide isomers, pure proteins, complex protein mixtures, and mouse embryo tissues. The complex mass spectral data sets produced were analyzed using five common statistical and chemometric multivariate analysis techniques: principal component analysis (PCA), linear discriminant analysis (LDA), partial least squares discriminant analysis (PLSDA), soft independent modeling of class analogy (SIMCA), and decision tree analysis by recursive partitioning. PCA was found to be a valuable first step in multivariate analysis, providing insight both into the relative groupings of samples and into the molecular basis for those groupings. For the monosaccharides, pure proteins and protein mixture samples, all of LDA, PLSDA, and SIMCA were found to produce excellent classification given a sufficient number of compound variables calculated. For the mouse embryo tissues, however, SIMCA did not produce as accurate a classification. The decision tree analysis was found to be the least successful for all the data sets, providing neither as accurate a classification nor chemical insight for any of the tested samples. Based on these results we conclude that as the complexity of the sample increases, so must the sophistication of the multivariate technique used to classify the samples. PCA is a preferred first step for understanding ToF-SIMS data that can be followed by either LDA or PLSDA for effective classification analysis. This study demonstrates the strength of ToF-SIMS combined with multivariate statistical and chemometric techniques to classify increasingly complex biological samples

  2. Automation system for measurement of gamma-ray spectra of induced activity for multi-element high-volume neutron activation analysis at the IBR-2 reactor of FLNP at JINR

    International Nuclear Information System (INIS)

    Pavlov, S.S.; Dmitriev, A.Yu.; Chepurchenko, I.A.; Frontas'eva, M.V.

    2014-01-01

    The automation system for measurement of induced activity of gamma-ray spectra for multi-element high-volume neutron activation analysis (NAA) was designed, developed and implemented at the IBR-2 reactor. The system consists of three devices of automatic sample changers for three Canberra HPGe detector-based gamma spectrometry systems. Each sample changer consists of two-axis linear positioning module M202A by DriveSet (DriveSet.de) company and disk with 45 slots for containers with samples. Control of automatic sample changer is performed by the Xemo S360U controller by Systec (systec.de) company. Positioning accuracy can reach 0.1 mm. Special software performs automatic changing of samples and measurement of gamma spectra at constant interaction with the NAA database. The system is unique and can be recommended for other laboratories as one of the possible ways of the NAA integrated automation

  3. Using a Hewlett-Packard minicomputer for the processing of gamma-ray spectra from neutron activation analysis

    International Nuclear Information System (INIS)

    Main, P.L.; Hughes, M.J.

    1983-01-01

    The system developed at the British Museum Research Laboratory for the examination of ancient ceramics by neutron activation analysis is described. The description covers the procedures followed for sample preparation, spectrum accumulation, and the subsequent analysis by computer to yield final concentrations of elements present in the samples. Spectra are accumulated using a 7000 series Ge(Li) detector attached to a Canberra model 8180 multi-channel analyser, and are transferred on-line to a Hewlett-Packard 1000 system computer running under the RTE IVB real-time operating system. Particular attention is given to the design of the computer programs, and how a series of smaller programs communicating via intermediate command files can overcome the problems of accommodating a large amount of program code on a minicomputer. This also results in great flexibility in how the processing is carried out. One of the programs described is an implementation of the peak-searching and fitting routines from the Naval Research Laboratory's program HYPERMET. (author)

  4. Deconvolution of gamma energy spectra from NaI (Tl) detector using the Nelder-Mead zero order optimisation method

    International Nuclear Information System (INIS)

    RAVELONJATO, R.H.M.

    2010-01-01

    The aim of this work is to develop a method for gamma ray spectrum deconvolution from NaI(Tl) detector. Deconvolution programs edited with Matlab 7.6 using Nelder-Mead method were developed to determine multiplet shape parameters. The simulation parameters were: centroid distance/FWHM ratio, Signal/Continuum ratio and counting rate. The test using synthetic spectrum was built with 3σ uncertainty. The tests gave suitable results for centroid distance/FWHM ratio≥2, Signal/Continuum ratio ≥2 and counting level 100 counts. The technique was applied to measure the activity of soils and rocks samples from the Anosy region. The rock activity varies from (140±8) Bq.kg -1 to (190±17)Bq.kg -1 for potassium-40; from (343±7)Bq.Kg -1 to (881±6)Bq.kg -1 for thorium-213 and from (100±3)Bq.kg -1 to (164 ±4) Bq.kg -1 for uranium-238. The soil activity varies from (148±1) Bq.kg -1 to (652±31)Bq.kg -1 for potassium-40; from (1100±11)Bq.kg -1 to (5700 ± 40)Bq.kg -1 for thorium-232 and from (190 ±2) Bq.kg -1 to (779 ±15) Bq -1 for uranium -238. Among 11 samples, the activity value discrepancies compared to high resolution HPGe detector varies from 0.62% to 42.86%. The fitting residuals are between -20% and +20%. The Figure of Merit values are around 5%. These results show that the method developed is reliable for such activity range and the convergence is good. So, NaI(Tl) detector combined with deconvolution method developed may replace HPGe detector within an acceptable limit, if the identification of each nuclides in the radioactive series is not required [fr

  5. The n,{gamma} discrimination in recoil-proton proportional counters. Application to the measurement of fast neutron spectra; Discrimination n,{gamma} dans les compteurs proportionnels a protons de recul. Application a la mesure des spectres de neutrons rapides

    Energy Technology Data Exchange (ETDEWEB)

    Jeandidier, C [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1969-07-01

    A description is given of a spectrometry chain working in the energy range of a few keV to 1 MeV, and designed for measurement of fast neutron spectra. It consists of detectors, recoil proton proportional counters built especially for this work by R. COMTE (DEG/SER) and which make it possible to cover the energy range and also associated electronic equipment. A brief description is first given of the physical processes involved: (n,p) collisions in the gas, influence of {gamma} radiation; the method of discrimination is then presented. It is based on the difference in the rise-times of the pulses. In the experiments described here the use of a bi-parametric system made it possible to employ the most simple discrimination device, based on the fact that the high frequency gamma pulse components are, at a given energy, weaker than those of the neutron pulses. Results are given of measurements carried out on the Van der Graaff (mono-energetic neutrons for testing the linearity of the chain and the resolving power of the counters), and of those made in a sub-critical system Hug at Cadarache. (author) [French] On decrit une chaine de spectrometrie travaillant dans le domaine d'energie de quelques keV a 1 MeV destinee a la mesure des spectres de neutrons rapides. Elle comprend les detecteurs, compteurs proportionnels a protons de recul, realises specialement pour cette etude par M. R. COMTE (DEG/SER), permettant de couvrir la gamme d'energie et l'electronique associee. Apres un rappel des processus physiques mis en jeu: chocs (n,p) dans les gaz, influence des rayonnements {gamma}, on expose la methode de discrimination utilisee. Celle-ci est basee sur la difference des temps de montee des impulsions. Au cours des experiences rapportees ici, la mise en oeuvre d'un ensemble bi-parametrique a permis d'utiliser le dispositif de discrimination le plus simple, base sur la remarque que les composantes a haute frequence des impulsions {gamma} sont, a energie egale, plus faibles

  6. The n,{gamma} discrimination in recoil-proton proportional counters. Application to the measurement of fast neutron spectra; Discrimination n,{gamma} dans les compteurs proportionnels a protons de recul. Application a la mesure des spectres de neutrons rapides

    Energy Technology Data Exchange (ETDEWEB)

    Jeandidier, C. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1969-07-01

    A description is given of a spectrometry chain working in the energy range of a few keV to 1 MeV, and designed for measurement of fast neutron spectra. It consists of detectors, recoil proton proportional counters built especially for this work by R. COMTE (DEG/SER) and which make it possible to cover the energy range and also associated electronic equipment. A brief description is first given of the physical processes involved: (n,p) collisions in the gas, influence of {gamma} radiation; the method of discrimination is then presented. It is based on the difference in the rise-times of the pulses. In the experiments described here the use of a bi-parametric system made it possible to employ the most simple discrimination device, based on the fact that the high frequency gamma pulse components are, at a given energy, weaker than those of the neutron pulses. Results are given of measurements carried out on the Van der Graaff (mono-energetic neutrons for testing the linearity of the chain and the resolving power of the counters), and of those made in a sub-critical system Hug at Cadarache. (author) [French] On decrit une chaine de spectrometrie travaillant dans le domaine d'energie de quelques keV a 1 MeV destinee a la mesure des spectres de neutrons rapides. Elle comprend les detecteurs, compteurs proportionnels a protons de recul, realises specialement pour cette etude par M. R. COMTE (DEG/SER), permettant de couvrir la gamme d'energie et l'electronique associee. Apres un rappel des processus physiques mis en jeu: chocs (n,p) dans les gaz, influence des rayonnements {gamma}, on expose la methode de discrimination utilisee. Celle-ci est basee sur la difference des temps de montee des impulsions. Au cours des experiences rapportees ici, la mise en oeuvre d'un ensemble bi-parametrique a permis d'utiliser le dispositif de discrimination le plus simple, base sur la remarque que les composantes a haute frequence des impulsions {gamma} sont, a

  7. Identifying technical aliases in SELDI mass spectra of complex mixtures of proteins

    Science.gov (United States)

    2013-01-01

    Background Biomarker discovery datasets created using mass spectrum protein profiling of complex mixtures of proteins contain many peaks that represent the same protein with different charge states. Correlated variables such as these can confound the statistical analyses of proteomic data. Previously we developed an algorithm that clustered mass spectrum peaks that were biologically or technically correlated. Here we demonstrate an algorithm that clusters correlated technical aliases only. Results In this paper, we propose a preprocessing algorithm that can be used for grouping technical aliases in mass spectrometry protein profiling data. The stringency of the variance allowed for clustering is customizable, thereby affecting the number of peaks that are clustered. Subsequent analysis of the clusters, instead of individual peaks, helps reduce difficulties associated with technically-correlated data, and can aid more efficient biomarker identification. Conclusions This software can be used to pre-process and thereby decrease the complexity of protein profiling proteomics data, thus simplifying the subsequent analysis of biomarkers by decreasing the number of tests. The software is also a practical tool for identifying which features to investigate further by purification, identification and confirmation. PMID:24010718

  8. Molecular Complex of Lumiflavin and 2-Aminobenzoic Acid : Crystal Structure, Crystal Spectra, and Solution Properties

    OpenAIRE

    Shieh, Huey-Sheng; Ghisla, Sandro; Hanson, Louise Karle; Ludwig, Martha L.; Nordman, Christer E.

    1981-01-01

    The molecular complex lumiflavin-2-aminobenzoic acid monohydrate (C13H12N402●C7H7N02●H2O)crystallizes from aqueous solution as red triclinic prisms. The space group is P1 with cell dimensions a = 9.660 A, b = 14.866 Å, c = 7.045 Å, α = 95.44°, β = 95.86°, and γ = 105.66°. The crystal structure was solved by direct methods and refined by block-diagonal least-squares procedures to an R value of 0.050 on the basis of 1338 observed reflections. The structure is composed of stacks of alternating l...

  9. Preassembly and ligand-induced restructuring of the chains of the IFN-gamma receptor complex: the roles of Jak kinases, Stat1 and the receptor chains.

    Science.gov (United States)

    Krause, Christopher D; Lavnikova, Natasha; Xie, Junxia; Mei, Erwen; Mirochnitchenko, Olga V; Jia, Yiwei; Hochstrasser, Robin M; Pestka, Sidney

    2006-01-01

    We previously demonstrated using noninvasive technologies that the interferon-gamma (IFN-gamma) receptor complex is preassembled (1). In this report we determined how the receptor complex is preassembled and how the ligand-mediated conformational changes occur. The interaction of Stat1 with IFN-gammaR1 results in a conformational change localized to IFN-gammaR1. Jak1 but not Jak2 is required for the two chains of the IFN-gamma receptor complex (IFN-gammaR1 and IFN-gammaR2) to interact; however, the presence of both Jak1 and Jak2 is required to see any ligand-dependant conformational change. Two IFN-gammaR2 chains interact through species-specific determinants in their extracellular domains. Finally, these determinants also participate in the interaction of IFN-gammaR2 with IFN-gammaR1. These results agree with a detailed model of the IFN-gamma receptor that requires the receptor chains to be pre-associated constitutively for the receptor to be active.

  10. Influence of dose rate on the induction of simple and complex chromosome exchanges by gamma rays.

    Science.gov (United States)

    Loucas, Bradford D; Eberle, Richard; Bailey, Susan M; Cornforth, Michael N

    2004-10-01

    Single-color painting of whole chromosomes, or protocols in which only a few chromosomes are distinctively painted, will always fail to detect a proportion of complex exchanges because they frequently produce pseudosimple painting patterns that are indistinguishable from those produced by bona fide simple exchanges. When 24-color multi-fluor FISH (mFISH) was employed for the purpose of distinguishing (truly) simple from pseudosimple exchanges, it was confirmed that the acute low-LET radiation dose-response relationship for simple exchanges lacked significant upward curvature. This result has been interpreted to indicate that the formation of simple exchanges requires only one chromosome locus be damaged (e.g. broken) by radiation to initiate an exchange-not two, as classical cytogenetic theory maintains. Because a one-lesion mechanism implies single-track action, it follows that the production of simple exchanges should not be influenced by changes in dose rate. To examine this prediction, we irradiated noncycling primary human fibroblasts with graded doses of (137)Cs gamma rays at an acute dose rate of 1.10 Gy/min and compared, using mFISH, the yield of simple exchanges to that observed after exposure to the same radiation delivered at a chronic dose rate of 0.08 cGy/min. The shape of the dose response was found to be quasi-linear for both dose rates, but, counter to providing support for a one-lesion mechanism, the yield of simple aberrations was greatly reduced by protracted exposure. Although chronic doses were delivered at rates low enough to produce damage exclusively by single-track action, this did not altogether eliminate the formation of complex aberrations, an analysis of which leads to the conclusion that a single track of low-LET radiation is capable of inducing complex exchanges requiring up to four proximate breaks for their formation. For acute exposures, the ratio of simple reciprocal translocations to simple dicentrics was near unity.

  11. Quantum-mechanical study of energies, structures, and vibrational spectra of the H(D)Cl complexed with dimethyl ether

    Energy Technology Data Exchange (ETDEWEB)

    Boda, Łukasz, E-mail: lboda@chemia.uj.edu.pl; Boczar, Marek; Gług, Maciej; Wójcik, Marek J. [Faculty of Chemistry, Jagiellonian University, Ingardena 3, 30-060 Kraków (Poland)

    2015-11-28

    Interaction energies, molecular structure and vibrational frequencies of the binary complex formed between H(D)Cl and dimethyl ether have been obtained using quantum-chemical methods. Equilibrium and vibrationally averaged structures, harmonic and anharmonic wavenumbers of the complex and its deuterated isotopomer were calculated using harmonic and anharmonic second-order perturbation theory procedures with Density Functional Theory B3LYP and B2PLYP-D and ab initio Møller-Plesset second-order methods, and a 6-311++G(3d,3p) basis set. A phenomenological model describing anharmonic-type vibrational couplings within hydrogen bonds was developed to explain the unique broadening and fine structure, as well as the isotope effect of the Cl–H and Cl–D stretching IR absorption bands in the gaseous complexes with dimethyl ether, as an effect of hydrogen bond formation. Simulations of the rovibrational structure of the Cl–H and Cl–D stretching bands were performed and the results were compared with experimental spectra.

  12. Studies on the changes of biologically active complexes of sunflower oil, tard, and butter under gamma irradiation

    International Nuclear Information System (INIS)

    Ivanov, A.; Stamatov, D.

    1976-01-01

    Investigations of changes in the biologically active complex of sunflower oil, lard and butter under the influence of gamma rays: The points examined are the effect of small, medium and large doses (10 4 , 10 6 and 10 7 ) of gamma rays (Co 60 ) and the after-effect on the carotenes, tocopherols, sterols and linoleic acid in sunflower oil, lard and butter. Under these conditions, only the carotenes and tocopherols are subjected to changes to the point of destruction. What was found is a good correlative connection between the changes in the tocopherols and the degree of oxidation of the corresponding fats. (orig.) [de

  13. Protein dynamics revealed in the excitonic spectra of single LH2 complexes

    International Nuclear Information System (INIS)

    Valkunas, Leonas; Janusonis, Julius; Rutkauskas, Danielis; Grondelle, Rienk van

    2007-01-01

    The fluorescence emission spectrum of single peripheral light-harvesting (LH2) complexes of the photosynthetic purple bacterium Rhodopseudomonas acidophila exhibits remarkable dynamics on a time scale of several minutes. Often the spectral properties are quasi-stable; sometimes large spectral jumps to the blue or to the red are observed. To explain the dynamics, every pigment is proposed to be in two conformational substates with different excitation energies, which originate from the conformational state of the protein as a result of pigment-protein interaction. Due to the excitonic coupling in the ring of 18 pigments, the two-state assumption generates a substantial amount of distinct spectroscopic states, which reflect part of the inhomogeneous distributed spectral properties of LH2. To describe the observed dynamics, spontaneous and light-induced transitions are introduced between the two states. For each 'realization of the disorder', the spectral properties are calculated using a disordered exciton model combined with the modified Redfield theory to obtain realistic spectral line shapes. The single-molecule fluorescence peak (FLP) distribution, the distribution dependence on the excitation intensity, and the FLP time traces are well described within the framework of this model

  14. The Complex Exogenous RNA Spectra in Human Plasma: An Interface with Human Gut Biota?

    Science.gov (United States)

    Wang, Kai; Li, Hong; Yuan, Yue; Etheridge, Alton; Zhou, Yong; Huang, David; Wilmes, Paul; Galas, David

    2012-01-01

    Human plasma has long been a rich source for biomarker discovery. It has recently become clear that plasma RNA molecules, such as microRNA, in addition to proteins are common and can serve as biomarkers. Surveying human plasma for microRNA biomarkers using next generation sequencing technology, we observed that a significant fraction of the circulating RNA appear to originate from exogenous species. With careful analysis of sequence error statistics and other controls, we demonstrated that there is a wide range of RNA from many different organisms, including bacteria and fungi as well as from other species. These RNAs may be associated with protein, lipid or other molecules protecting them from RNase activity in plasma. Some of these RNAs are detected in intracellular complexes and may be able to influence cellular activities under in vitro conditions. These findings raise the possibility that plasma RNAs of exogenous origin may serve as signaling molecules mediating for example the human-microbiome interaction and may affect and/or indicate the state of human health. PMID:23251414

  15. Balancing Fact and Formula in the Science of Complex Systems: The example of 1/f spectra.

    Science.gov (United States)

    Watkins, N. W.

    2014-12-01

    More than 100 years ago, Thomson and Tait's classic "Treatise on Natural Philosophy" cautioned its readers against "considering the formula and not the fact as physical reality". Deciding what the facts actually *were*, then as now, was left as an exercise for the student! Complex systems, of which space plasmas are a very rich example, show many cases [1] of what Thomson & Tait were talking about. I will discuss one such case today-the "1/f" spectral shape seen in many areas of physics. As Mandelbrot pointed out in several papers in the mid 1960s [2] this could be explained by long range dependence (LRD) in a stationary model, or various forms of nonstationarity. He was at pains to urge us to use our eyes as well as formalism, and I will discuss several results inspired by this approach, including new Bayesian methods for choosing between LRD models [3], and work on a dynamical origin for the Hurst effect [4]. [1] Watkins, Bunched Black Swans, Invited GRL Frontiers Review, 2013 [2] Graves et al, A Brief History of Long Memory, Submitted 2014 [3] Graves et al, Efficient Bayesian inference for long memory processes, Submitted 2014 [4] Watkins and Franzke, Hurst Without Joseph, In prep.

  16. Study of fission product {gamma} spectra in the band 2-500 keV; Etude du spectre {gamma} des produits de fission dans la bande 0-500 keV

    Energy Technology Data Exchange (ETDEWEB)

    Rousseau, A. [Commissariat a l' Energie Atomique, Saclay (France).Centre d' Etudes Nucleaires

    1959-07-01

    In the study of the {gamma} spectrum of uranium fission products, particular attention has been given in this note to the part of the spectrum ranging between 0 and 500 keV after a given pile operating programme and the evolution of this spectrum with time after a pile shutdown has been followed. The study be related to the fission products which appear in the pile as a whole or on those produced in a uranium sample assumed to have been placed in the pile. The latter case has been envisaged here. The spectrum determination is based partly on theory and partly on experiment. The pile operating conditions are different in the two cases, which widens the range of validity of the spectra traced here. (author) [French] Dans l'etude du spectre {gamma} des produits de fission de l'uranium, on s'est plus particulierement interesse dans la presente note a determiner la partie du spectre qui s'etend entre 0 et 500 keV, au bout d'un fonctionnement donne de pile, et a suivre l'evolution de ce spectre dans le temps apres un arret de pile. L'etude peut porter sur les produits de fission apparus dans toute la pile ou sur ceux apparus dans un echantillon d'uranium suppose place en pile. C'est ce dernier cas que nous avons envisage. La determination du spectre s'appuie sur une partie theorique et sur une partie experimentale. Les fonctionnements de pile choisis sont differents dans les deux cas, ce qui permet d'etendre la gamme de validite des spectres traces ici. (auteur)

  17. Study of fission product {gamma} spectra in the band 2-500 keV; Etude du spectre {gamma} des produits de fission dans la bande 0-500 keV

    Energy Technology Data Exchange (ETDEWEB)

    Rousseau, A [Commissariat a l' Energie Atomique, Saclay (France).Centre d' Etudes Nucleaires

    1959-07-01

    In the study of the {gamma} spectrum of uranium fission products, particular attention has been given in this note to the part of the spectrum ranging between 0 and 500 keV after a given pile operating programme and the evolution of this spectrum with time after a pile shutdown has been followed. The study be related to the fission products which appear in the pile as a whole or on those produced in a uranium sample assumed to have been placed in the pile. The latter case has been envisaged here. The spectrum determination is based partly on theory and partly on experiment. The pile operating conditions are different in the two cases, which widens the range of validity of the spectra traced here. (author) [French] Dans l'etude du spectre {gamma} des produits de fission de l'uranium, on s'est plus particulierement interesse dans la presente note a determiner la partie du spectre qui s'etend entre 0 et 500 keV, au bout d'un fonctionnement donne de pile, et a suivre l'evolution de ce spectre dans le temps apres un arret de pile. L'etude peut porter sur les produits de fission apparus dans toute la pile ou sur ceux apparus dans un echantillon d'uranium suppose place en pile. C'est ce dernier cas que nous avons envisage. La determination du spectre s'appuie sur une partie theorique et sur une partie experimentale. Les fonctionnements de pile choisis sont differents dans les deux cas, ce qui permet d'etendre la gamme de validite des spectres traces ici. (auteur)

  18. Resonance Raman and surface-enhanced resonance Raman spectra of LH2 antenna complex from Rhodobacter sphaeroides and Ectothiorhodospira sp. excited in the Qx and Qy transitions.

    Science.gov (United States)

    Chumanov, G; Picorel, R; Ortiz de Zarate, I; Cotton, T M; Seibert, M

    2000-05-01

    Well-resolved vibrational spectra of LH2 complex isolated from two photosynthetic bacteria, Rhodobacter sphaeroides and Ectothiorhodospira sp., were obtained using surface-enhanced resonance Raman scattering (SERRS) exciting into the Qx and the Qy transitions of bacteriochlorophyll a. High-quality SERRS spectra in the Qy region were accessible because the strong fluorescence background was quenched near the roughened Ag surface. A comparison of the spectra obtained with 590 nm and 752 nm excitation in the mid- and low-frequency regions revealed spectral differences between the two LH2 complexes as well as between the LH2 complexes and isolated bacteriochlorophyll a. Because peripheral modes of pigments contribute mainly to the low-frequency spectral region, frequencies and intensities of many vibrational bands in this region are affected by interactions with the protein. The results demonstrate that the microenvironment surrounding the pigments within the two LH2 complexes is somewhat different, despite the fact that the complexes exhibit similar electronic absorption spectra. These differences are most probably due to specific pigment-pigment and pigment-protein interactions within the LH2 complexes, and the approach might be useful for addressing subtle static and dynamic structural variances between pigment-protein complexes from different sources or in complexes altered chemically or genetically.

  19. Stabilization of spectra provided by a gamma-ray spectrometer. Application to the construction of a stabilizer; Stabilisation des spectres fournis par un spectrometre a rayons gamma. Application a la realisation d'un stabilisateur

    Energy Technology Data Exchange (ETDEWEB)

    Detourne, G [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1967-06-15

    This research is concerned with the stabilization of spectra provided by a gamma-ray spectrometer. It is required to hold the calibration straight line of the spectrometer in a position which is fixed initially to better than 5x10{sup -5} channel. A prototype numerical stabilizer has been constructed : the SPECTROSTAB; it is made up of two independent control loops; one of these makes the spectrometer gain depend on the derivatives of a reference peak at high energies; the other makes the origin of the energy scale depend on the derivatives of a second reference peak at low energies A theoretical study of the behaviour of a control loop shows that a direct action stabilizer gives the most accurate stabilization; the loss in resolving power on the theoretical peaks of the spectra attains about 1 % with a scintillation detector, and 10 % with a semi-conductor detector. Various tests show that the expected results are obtained and that the displacement of the spectral peaks produced by the derivatives are hidden by errors in the calculation of the peak abscissae. (author) [French] Cette etude a pour objet la stabilisation des spectres fournis par un spectrometre a rayons gamma. On veut maintenir la droite d'etalonnage du spectrometre dans une position fixee initialement a mieux de 6.10{sup -5} canal pres. On realise un prototype de stabilisateur numerique, le SPECTROSTAB; il comprend deux boucles d'asservissement independantes; l'une d'elles asservit le gain du spectrometre aux derives d'un pic de reference aux hautes energies; l'autre asservit l'origine de l'echelle des energies aux derives d'un second pic de reference aux basses energies. Une etude theorique du comportement d'une boucle d'asservissement montre qu'un stabilisateur a action directe permet la stabilisation la plus precise; la perte en resolution sur les pics theoriques des spectres atteint environ 1 % avec un detecteur a scintillateur et 10 % avec un detecteur a semi-conducteur. Divers essais montrent

  20. Attenuation corrections through energy spectra analysis of whole body and partial body measurements applying gamma spectroscopy; Schwaechungskorrektur bei gammaspektroskopischen Ganz- und Teilkoerpermessungen durch Analyse der Energiespektren

    Energy Technology Data Exchange (ETDEWEB)

    Schelper, L.F.; Lassmann, M.; Haenscheid, H.; Reiners, C. [Wuerzburg Univ. (Germany). Klinik und Poliklinik fuer Nuklearmedizin

    1997-12-01

    The study was carried out within the framework of activities for testing means of direct determination of radioactivity levels in the human body due to incorporated, inhomogenously distributed radionuclides. A major task was to derive the average depth of activity distributions, particularly from photon radiation at energies below 500 keV, for the purpose of making suitable attenuation corrections. The paper presents two applicable methods which yield information on the mean depths of activity distributions, obtained through additional analyses of the energy spectra. The analyses are based on measuring the dependence of intensity of the Compton radiation on the length of pathways of the photons penetrating the soft tissue, or on measuring the energy-dependent absorption effects with photons. (orig./CB) [Deutsch] Im Rahmen der direkten Aktivitaetsbestimmung bei inhomogener Radionukliddeposition im menschlichen Koerper mittels Ganz- oder Teilkoerpermessanlagen im klinischen Bereich oder im Strahlenschutz sollte besonders bei Photonenstrahlung mit Energien von weniger als 500 keV eine Ermittlung der mittleren Tiefe der Aktivitaetsverteilung zur Schwaechungskorrektur erfolgen. Im klinischen Umfeld ist es haeufig moeglich, zur Tiefenkorrektur die mittlere Organtiefe und damit die schwaechende Gewebsschicht mittels Ultraschall zu bestimmen. Ergaenzend hierzu werden im Folgenden zwei Methoden vorgestellt, welche Aussagen ueber die mittlere Tiefe von Aktivitaetsverteilungen durch Gewinnung von Zusatzinformationen aus dem Energiespektrum im Rahmen von gamma-spektroskopischen Personenmessungen ermoeglichen. Dazu werden einerseits die Abhaengigkeit der Intensitaet der Comptonstrahlung von der Laenge der Wegstrecke von Photonen durch Weichgewebe und andererseits energieabhaengige Absorptionseffekte bei Photonen als Grundlage herangezogen. (orig.)

  1. Response change in winter-wheat types to the pathogen complex under chronic gamma-irradiation

    International Nuclear Information System (INIS)

    Budanov, V.E.; Lysenkov, V.I.; Shcherbakov, V.K.

    1975-01-01

    Disease reactions in plants that have been gamma-irradiated are discussed. Damage to different types of soft winter wheat, due to pathogenic fungi, is evaluated. The Mironovski Jubilee variety showed high resistance to the leaf form of powdery mildew, along with the opposite phenomenon of a high susceptibility to the stem form of this disease. Chronic gamma irradiation of plants of this variety increased the susceptibility to this disease

  2. Investigations of immunoglobulins, circulating immune complexes and plasma free hemoglobin in cancer patients on 60Co gamma-ray therapy

    International Nuclear Information System (INIS)

    Horvath, M.; Rode, I.L.; Fekete, B.; Kiss, B.; Ringwald, G.

    1981-01-01

    32 patients with different tumours were irradiated by 60 Co gamma-rays. During therapy lasting for several weeks, changes in the content of immunoglobulin and of some other serum proteins, circulating immune complexes and plasma free hemoglobin were determined. Immunosuppression according to immunoglobulin content in serum was not produced by this type of radiation. Decrease in immune complex levels was a good prognostic sign. Low values of plasma hemoglobin content during treatment indicated that no erythrocyte membrane damage had been effected. (orig.) [de

  3. SAM-CE, Time-Dependent 3-D Neutron Transport, Gamma Transport in Complex Geometry by Monte-Carlo

    International Nuclear Information System (INIS)

    2003-01-01

    1 - Nature of physical problem solved: The SAM-CE system comprises two Monte Carlo codes, SAM-F and SAM-A. SAM-F supersedes the forward Monte Carlo code, SAM-C. SAM-A is an adjoint Monte Carlo code designed to calculate the response due to fields of primary and secondary gamma radiation. The SAM-CE system is a FORTRAN Monte Carlo computer code designed to solve the time-dependent neutron and gamma-ray transport equations in complex three-dimensional geometries. SAM-CE is applicable for forward neutron calculations and for forward as well as adjoint primary gamma-ray calculations. In addition, SAM-CE is applicable for the gamma-ray stage of the coupled neutron-secondary gamma ray problem, which may be solved in either the forward or the adjoint mode. Time-dependent fluxes, and flux functionals such as dose, heating, count rates, etc., are calculated as functions of energy, time and position. Multiple scoring regions are permitted and these may be either finite volume regions or point detectors or both. Other scores of interest, e.g., collision and absorption densities, etc., are also made. 2 - Method of solution: A special feature of SAM-CE is its use of the 'combinatorial geometry' technique which affords the user geometric capabilities exceeding those available with other commonly used geometric packages. All nuclear interaction cross section data (derived from the ENDF for neutrons and from the UNC-format library for gamma-rays) are tabulated in point energy meshes. The energy meshes for neutrons are internally derived, based on built-in convergence criteria and user- supplied tolerances. Tabulated neutron data for each distinct nuclide are in unique and appropriate energy meshes. Both resolved and unresolved resonance parameters from ENDF data files are treated automatically, and extremely precise and detailed descriptions of cross section behaviour is permitted. Such treatment avoids the ambiguities usually associated with multi-group codes, which use flux

  4. p53-dependent control of cell death by nicastrin: lack of requirement for presenilin-dependent gamma-secretase complex.

    Science.gov (United States)

    Pardossi-Piquard, Raphaëlle; Dunys, Julie; Giaime, Emilie; Guillot-Sestier, Marie-Victoire; St George-Hyslop, Peter; Checler, Frédéric; Alves da Costa, Cristine

    2009-04-01

    Nicastrin (NCT) is a component of the presenilin (PS)-dependent gamma-secretase complexes that liberate amyloid beta-peptides from the beta-Amyloid Precursor Protein. Several lines of evidence indicate that the members of these complexes could also contribute to the control of cell death. Here we show that over-expression of NCT increases the viability of human embryonic kidney (HEK293) cells and decreases staurosporine (STS)- and thapsigargin (TPS)-induced caspase-3 activation in various cell lines from human and neuronal origins by Akt-dependent pathway. NCT lowers p53 expression, transcriptional activity and promoter transactivation and reduces p53 phosphorylation. NCT-associated protection against STS-stimulated cell death was completely abolished by p53 deficiency. Conversely, the depletion of NCT drastically enhances STS-induced caspase-3 activation and p53 pathway and favored p53 nuclear translocation. We examined whether NCT protective function depends on PS-dependent gamma-secretase activity. First, a 29-amino acid deletion known to reduce NCT-dependent amyloid beta-peptide production did not affect NCT-associated protective phenotype. Second, NCT still reduces STS-induced caspase-3 activation in fibroblasts lacking PS1 and PS2. Third, the gamma-secretase inhibitor DFK167 did not affect NCT-mediated reduction of p53 activity. Altogether, our study indicates that NCT controls cell death via phosphoinositide 3-kinase/Akt and p53-dependent pathways and that this function remains independent of the activity and molecular integrity of the gamma-secretase complexes.

  5. An investigation on the effect of gamma-irradiation on the optical absorption spectra in Cu(II) doped ammonium Tetrachlorozincate (ATZC) single crystals

    International Nuclear Information System (INIS)

    Abu El-Fadl, A.; Mohamad, G.A.; Abd El-Sttar, M.

    2003-01-01

    Optical transmittance measurements were carried out on Ammonium tetrachlorozincate (ATZC) crystals doped with small concentrations of Cu 2+ ions and irradiated with different doses of gamma-radiation. The absorption coefficient (alpha) and the extinction coefficient (K) of unirradiated and irradiated ATZC crystals were calculated. Valued of the allowed indirect optical energy gap (E g ) of ATZC were calculated as a function of gamma-dose. The effect of gamma irradiation is to increase in the absorption coefficient value and to decrease in E g value. The results could be explained in the fact that gamma irradiation produces defects of ionizing type because of internal irradiation with photon or Compton electrons

  6. Standardization of low energy beta and beta-gamma complex emitters by the tracer and the efficiency extrapolation methods

    International Nuclear Information System (INIS)

    Sahagia, M.

    1978-01-01

    The absolute standardization of radioactive solutions of low energy beta emitters and beta-gamma emitters with a high probability of disintegration to the ground state is described; the tracer and the efficiency extrapolation methods were used. Both types of radionuclides were mathematically and physically treated in an unified manner. The theoretical relations between different beta spectra were calculated according to Williams' model and experimentally verified for: 35 S + 60 Co, 35 S + 95 Nb, 147 Pm + 60 Co, 14 C + 95 Nb and two beta branches of 99 Mo. The optimum range of beta efficiency variation was indicated. The basic supposition that all beta efficieny tend to unity in the same time was experimentally verified, using two 192 Ir beta branches. Four computer programs, written in the FORTRAN IV language, were elaborated, for the adequate processing of the experimental data. Good precision coefficients according to international standards were obtained in the absolute standardization of 35 S, 147 Pm, 99 Mo solutions. (author)

  7. Standardization of electron-capture and complex beta-gamma radionuclides by the efficiency extrapolation method

    International Nuclear Information System (INIS)

    Grigorescu, L.

    1976-07-01

    The efficiency extrapolation method was improved by establishing ''linearity conditions'' for the discrimination on the gamma channel of the coincidence equipment. These conditions were proved to eliminate the systematic error of the method. A control procedure for the fulfilment of linearity conditions and estimation of residual systematic error was given. For law-energy gamma transitions an ''equivalent scheme principle'' was established, which allow for a correct application of the method. Solutions of Cs-134, Co-57, Ba-133 and Zn-65 were standardized with an ''effective standard deviation'' of 0.3-0.7 per cent. For Zn-65 ''special linearity conditions'' were applied. (author)

  8. Demonstration of the 3D PANTHERE software for the simulation of gamma dose rates for complex nuclear installations; Demonstration du logiciel 3D panthere pour la simulation des debits de doses gamma pour installations nucleaires complexes

    Energy Technology Data Exchange (ETDEWEB)

    Longeot, M.; Dupont, B. [EDFISEPTENITE, 12-14 avenue Dutrievoz, 69628 Villeurbanne Cedex (France); Schumm, A.; Zweers, M. [EDF/R and D/SINETICS, 1 avenue du General de Gaulle, 92141 Clamart Cedex (France); Malvagi, F.; Trama, J.C. [CEA Saclay, SERMA, 91 - Gif-sur-Yvette (France)

    2010-07-01

    The authors present the two successive versions of the PANTHERE simulation software developed by EDF-SEPTEN to determine gamma dose flow rate in complex industrial installations. This software predicts dose rates and thus enables interventions in irradiating environment to be optimized. The authors report the demonstration of the industrial version (PANTHEREv1) and of the currently under development version (PANTHEREv2). They outline the evolutions brought to the first version to develop the second one such as the direct importation of CAD models, ergonomic improvements, etc.

  9. Recent Re-Measurement of Neutron and Gamma-Ray Spectra 1080 Meters from the APRD (Army Pulse Radiation Division) Critical Facility,

    Science.gov (United States)

    1984-01-01

    TISSUE-EQUIVALENT ION CHAMBER GM - GEIGER-MUELLER COUNTER TE-GM - DIFFERENCE BETWEEN TE AND GM DATA MICRODOSE - MICRODOSIMETRY USING 0.5" ROSSI COUNTER...KERMA 4.26+8 1979 APRO NE-213+PR NEUTRON KERMA 4.26+8 1979 WWD NE-213 NEUTRON KERMA 3.10+8 > 550 KEV 1980 DREO MICRODOSE NEUTRON KERMA 4.32+8 1979...APRD GM GAMMA KERMA 3.86+7 1979 WWD NE-213 GAMMA KERMA 4.34+7 > 450 KEV 1980 DREO MICRODOSE GAMMA KERMA 3.90+7 76 1979 APRD TE TOTAL KERMA 4.50+8 50 c.c

  10. Demonstration of the 3D PANTHERE software for the simulation of gamma dose rates for complex nuclear installations

    International Nuclear Information System (INIS)

    Longeot, M.; Dupont, B.; Schumm, A.; Zweers, M.; Malvagi, F.; Trama, J.C.

    2010-01-01

    The authors present the two successive versions of the PANTHERE simulation software developed by EDF-SEPTEN to determine gamma dose flow rate in complex industrial installations. This software predicts dose rates and thus enables interventions in irradiating environment to be optimized. The authors report the demonstration of the industrial version (PANTHEREv1) and of the currently under development version (PANTHEREv2). They outline the evolutions brought to the first version to develop the second one such as the direct importation of CAD models, ergonomic improvements, etc.

  11. Non-coincidence of principal axis of g- and A-tensors of EPR spectra for certain Cr (5) and Mo (5) complexes with oxygen environment

    Energy Technology Data Exchange (ETDEWEB)

    Usmanov, Z I [Kazanskij Pedagogicheskij Inst. (USSR)

    1974-11-21

    As a result of this study, it has been revealed, for the first time, that the main axes of g- and A-tensors do not coincide in solutions of Cr (5) and Mo (5) complexes, which provides interesting information as to the structure of the examined paramagnetic compounds. The ESR spectra of liquid and frozen solutions of Cr (5) complexes with lactic, tartaric, glycolic, and amygdalic acids, as well as Cr (5) complexes with salicylic acid are presented. Analysis of these spectra has shown that the g-tensor has an axial symmetry, while the A-tensor has a rhombic symmetry. Comparison of ESR spectra of frozen solutions of Cr (5) and Mo (5) complexes with a natural content of odd isotopes and those of enriched Cr/sup 53/ and Mo/sup 95/ indicates that the maximum value of the g-tensor does not coincide with the maximum splitting of the A-tensor, forming, instead, an angle of about 90 deg.

  12. DSC Studies of Retrogradation and Amylose-Lipid Complex Transition Taking Place in Gamma Irradiated Wheat Starch

    International Nuclear Information System (INIS)

    Ciesla, K.

    2006-01-01

    Degradation resulting from gamma irradiation induces decrease in order of starch granules and influences the processes occurring in starch-water system. Differential scanning calorimetry (DSC) was applied at present for studying the effect of radiation with doses of 5 - 30 kGy on amylose-lipid complex transition and retrogradation occurring in wheat starch gels. Influence of the conditions applied during DSC measurements and intermediate storage was tested on the possibility to observe radiation effect. Wheat starch was irradiated with 60 C o gamma rays in a gamma cell Issledovatiel placed in the Department of Radiation Chemistry, INCT. DSC measurements were performed for ca. 50% and ca. 20% gels during heating - cooling - heating cycles (up to 3 cycles) in the temperature range 10 - 150 degree at heating and cooling rates of 10, 5 and 2.5 degree min - 1. The Seiko DSC 6200 calorimeter was used. Decrease in amylose-lipid complex transition temperature was found already after irradiation of wheat starch with a dose of 5 kGy showing modificatin of the complex structure. The differences between the irradiated and the non-irradiated samples became the easier seen in the every foregoing heating or cooling cycle as compared to the preceeding one. It is because that thermal treatment causes decrease of transition temperature in all the irradiated samples, with no effect or increase of that temperature observed in the non-irradiated ones. Irradiation hinders retrogradation taking place in ca. 50% gels but facilitates retrogradation occurring in ca. 20 % gels. Moreover, the expanded differences between the amylose-lipid complex formed in the irradiated and non-irradiated gels result due to their recrystallisation. Storage of the gels induces decrease in the temperature of the complex transition as compared to the last cycle of the first analysis. That decrease was, however, more significant in the case of all the irradiated samples than in the case of the initial sample. In

  13. Calculation of neutron and gamma-ray energy spectra in liquid air and liquid nitrogen due to 14-MeV neutron and californium-252 sources

    International Nuclear Information System (INIS)

    Straker, E.A.; Gritzner, M.L.; Harris, L. Jr.

    1978-01-01

    Calculations of neutron and gamma-ray fluences from 14-MeV neutron and 252 Cf sources in liquid air and liquid nitrogen have been performed. These calculations were made specifically for comparison with experimental data measured at Stohl, Federal Republic of Germany. The discrete-ordinates method was utilized with neutron and gamma-ray cross sections from ENDF/B-IV. One-dimensional calculational models were developed for the sources and tank. Limited comparisons are made with experimental data

  14. DFT calculations of the structures and vibrational spectra of the [Fe(bpy){sub 3}]{sup 2+} and [Ru(bpy){sub 3}]{sup 2+} complexes

    Energy Technology Data Exchange (ETDEWEB)

    Alexander, Bruce D. [School of Science, University of Greenwich at Medway, Central Avenue, Chatham Maritime, Kent ME4 4TB (United Kingdom); Dines, Trevor J. [Division of Electronic Engineering and Physics, University of Dundee, Dundee DD1 4HN (United Kingdom)], E-mail: t.j.dines@dundee.ac.uk; Longhurst, Rayne W. [Division of Electronic Engineering and Physics, University of Dundee, Dundee DD1 4HN (United Kingdom)

    2008-09-03

    Structures of the [M(bpy){sub 3}]{sup 2+} complexes (M = Fe and Ru) have been calculated at the B3-LYP/DZVP level. IR and Raman spectra were calculated using the optimised geometries, employing a scaled quantum chemical force field, and compared with an earlier normal coordinate analysis of [Ru(bpy){sub 3}]{sup 2+} which was based upon experimental data alone, and the use of a simplified model. The results of the calculations provide a highly satisfactory fit to the experimental data and the normal coordinate analyses, in terms of potential energy distributions, allow a detailed understanding of the vibrational spectra of both complexes. Evidence is presented for Jahn-Teller distortion in the {sup 1}E MLCT excited state.

  15. DFT calculations of the structures and vibrational spectra of the [Fe(bpy)3]2+ and [Ru(bpy)3]2+ complexes

    International Nuclear Information System (INIS)

    Alexander, Bruce D.; Dines, Trevor J.; Longhurst, Rayne W.

    2008-01-01

    Structures of the [M(bpy) 3 ] 2+ complexes (M = Fe and Ru) have been calculated at the B3-LYP/DZVP level. IR and Raman spectra were calculated using the optimised geometries, employing a scaled quantum chemical force field, and compared with an earlier normal coordinate analysis of [Ru(bpy) 3 ] 2+ which was based upon experimental data alone, and the use of a simplified model. The results of the calculations provide a highly satisfactory fit to the experimental data and the normal coordinate analyses, in terms of potential energy distributions, allow a detailed understanding of the vibrational spectra of both complexes. Evidence is presented for Jahn-Teller distortion in the 1 E MLCT excited state

  16. DFT calculations of the structures and vibrational spectra of the [Fe(bpy) 3] 2+ and [Ru(bpy) 3] 2+ complexes

    Science.gov (United States)

    Alexander, Bruce D.; Dines, Trevor J.; Longhurst, Rayne W.

    2008-09-01

    Structures of the [M(bpy) 3] 2+ complexes (M = Fe and Ru) have been calculated at the B3-LYP/DZVP level. IR and Raman spectra were calculated using the optimised geometries, employing a scaled quantum chemical force field, and compared with an earlier normal coordinate analysis of [Ru(bpy) 3] 2+ which was based upon experimental data alone, and the use of a simplified model. The results of the calculations provide a highly satisfactory fit to the experimental data and the normal coordinate analyses, in terms of potential energy distributions, allow a detailed understanding of the vibrational spectra of both complexes. Evidence is presented for Jahn-Teller distortion in the 1E MLCT excited state.

  17. Radiological Mapping of the Alkaline Intrusive Complex of Jombo, South Coastal Kenya by In-Situ Gamma-Ray Spectrometry

    Science.gov (United States)

    Kaniu, Ian; Darby, Iain G.; Kalambuka Angeyo, Hudson

    2016-04-01

    Carbonatites and alkaline intrusive complexes are rich in a variety of mineral deposits such as rare earth elements (REEs), including Nb, Zr and Mn. These are often associated with U and Th bearing minerals, including monazite, samarskite and pyrochlore. Mining waste resulting from mineral processing activities can be highly radioactive and therefore poses a risk to human health and environment. The Jombo complex located in Kenya's south coastal region is potentially one of the richest sources of Nb and REEs in the world. It consists of the main intrusion at Jombo hill, three associated satellite intrusions at Mrima, Kiruku and Nguluku hills, and several dykes. The complex is highly heterogeneous with regard to its geological formation as it is characterized by alkaline igneous rocks and carbonatites which also influence its radio-ecological dynamics. In-situ gamma spectrometry offers a low-cost, rapid and spatially representative radioactivity estimate across a range of landscapes compared to conventional radiometric techniques. In this work, a wide ranging radiological survey was conducted in the Jombo complex as follow up on previous studies[1,2], to determine radiation exposure levels and source distributions, and perform radiological risk assessments. The in-situ measurements were carried out using a 2.0 l NaI(Tl) PGIS-2 portable detector from Pico Envirotec Inc integrated with GPS, deployed for ground (back-pack) and vehicular gamma-ray spectrometry. Preliminary results of radiological distribution and mapping will be presented. [1] Patel, J. P. (1991). Discovery and Innovation, 3(3): 31-35. [2] Kebwaro, J. M. et. al. (2011). J. Phys. Sci., 6(13): 3105-3110.

  18. TPASS: a gamma-ray spectrum analysis and isotope identification computer code

    International Nuclear Information System (INIS)

    Dickens, J.K.

    1981-03-01

    The gamma-ray spectral data-reduction and analysis computer code TPASS is described. This computer code is used to analyze complex Ge(Li) gamma-ray spectra to obtain peak areas corrected for detector efficiencies, from which are determined gamma-ray yields. These yields are compared with an isotope gamma-ray data file to determine the contributions to the observed spectrum from decay of specific radionuclides. A complete FORTRAN listing of the code and a complex test case are given

  19. Application of artificial neural networks for the prediction of volume fraction using spectra of gamma rays backscattered by three-phase flows

    Science.gov (United States)

    Gholipour Peyvandi, R.; Islami Rad, S. Z.

    2017-12-01

    The determination of the volume fraction percentage of the different phases flowing in vessels using transmission gamma rays is a conventional method in petroleum and oil industries. In some cases, with access only to the one side of the vessels, attention was drawn toward backscattered gamma rays as a desirable choice. In this research, the volume fraction percentage was measured precisely in water-gasoil-air three-phase flows by using the backscatter gamma ray technique andthe multilayer perceptron (MLP) neural network. The volume fraction determination in three-phase flows requires two gamma radioactive sources or a dual-energy source (with different energies) while in this study, we used just a 137Cs source (with the single energy) and a NaI detector to analyze backscattered gamma rays. The experimental set-up provides the required data for training and testing the network. Using the presented method, the volume fraction was predicted with a mean relative error percentage less than 6.47%. Also, the root mean square error was calculated as 1.60. The presented set-up is applicable in some industries with limited access. Also, using this technique, the cost, radiation safety and shielding requirements are minimized toward the other proposed methods.

  20. Calculation of the detection limits for radionuclides identified in gamma-ray spectra based on post-processing peak analysis results.

    Science.gov (United States)

    Korun, M; Vodenik, B; Zorko, B

    2018-03-01

    A new method for calculating the detection limits of gamma-ray spectrometry measurements is presented. The method is applicable for gamma-ray emitters, irrespective of the influences of the peaked background, the origin of the background and the overlap with other peaks. It offers the opportunity for multi-gamma-ray emitters to calculate the common detection limit, corresponding to more peaks. The detection limit is calculated by approximating the dependence of the uncertainty in the indication on its value with a second-order polynomial. In this approach the relation between the input quantities and the detection limit are described by an explicit expression and can be easy investigated. The detection limit is calculated from the data usually provided by the reports of peak-analyzing programs: the peak areas and their uncertainties. As a result, the need to use individual channel contents for calculating the detection limit is bypassed. Copyright © 2017 Elsevier Ltd. All rights reserved.

  1. CD147 is a regulatory subunit of the gamma-secretase complex inAlzheimer's disease amyloid beta-peptide production

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Shuxia; Zhou, Hua; Walian, Peter J.; Jap, Bing K.

    2005-04-06

    {gamma}-secretase is a membrane protein complex that cleaves the {beta}-amyloid precursor protein (APP) within the transmembrane region, following prior processing by {beta}-secretase, producing amyloid {beta}-peptides (A{beta}{sub 40} and A{beta}{sub 42}). Errant production of A{beta}-peptides that substantially increases A{beta}{sub 42} production has been associated with the formation of amyloid plaques in Alzheimer's disease patients. Biophysical and genetic studies indicate that presenilin-1 (Psn-1), which contains the proteolytic active site, and three other membrane proteins, nicastrin (Nct), APH-1, and PEN-2 are required to form the core of the active {gamma}-secretase complex. Here, we report the purification of the native {gamma}-secretase complexes from HeLa cell membranes and the identification of an additional {gamma}-secretase complex subunit, CD147, a transmembrane glycoprotein with two immunoglobulin-like domains. The presence of this subunit as an integral part of the complex itself was confirmed through co-immunoprecipitation studies of the purified protein from HeLa cells and solubilized complexes from other cell lines such as neural cell HCN-1A and HEK293. Depletion of CD147 by RNA interference was found to increase the production of A{beta} peptides without changing the expression level of the other {gamma}-secretase components or APP substrates while CD147 overexpression had no statistically significant effect on amyloid {beta}-peptide production, other {gamma}-secretase components or APP substrates, indicating that the presence of the CD147 subunit within the {gamma}-secretase complex directly down-modulates the production of A{beta}-peptides. {gamma}-secretase was first recognized through its role in the production of the A{beta} peptides that are pathogenic in Alzheimer's disease (AD) (1). {gamma}-secretase is a membrane protein complex with unusual aspartyl protease activity that cleaves a variety of type I membrane proteins

  2. Determination by vibrational spectra of the strength and the bond length of atoms U and O in uranyl complexes

    International Nuclear Information System (INIS)

    Rodriguez S, A.; Martinez Q, E.

    1996-01-01

    The vibrational spectra of different uranyl compounds were studied. The wave number was related to the harmonic oscillator model and to the mathematical expression of Badger as modified by Jones, to determine the strength and the bond length of atoms U and O in UO 2 2+ . A mathematical simplification develop by us is proposed and its results compared with values obtained by other methods. (Author)

  3. Simplifying the complex 1H NMR spectra of fluorine-substituted benzamides by spin system filtering and spin-state selection: multiple-quantum-single-quantum correlation.

    Science.gov (United States)

    Baishya, Bikash; Reddy, G N Manjunatha; Prabhu, Uday Ramesh; Row, T N Guru; Suryaprakash, N

    2008-10-23

    The proton NMR spectra of fluorine-substituted benzamides are very complex (Figure 1) due to severe overlap of (1)H resonances from the two aromatic rings, in addition to several short and long-range scalar couplings experienced by each proton. With no detectable scalar couplings between the inter-ring spins, the (1)H NMR spectra can be construed as an overlap of spectra from two independent phenyl rings. In the present study we demonstrate that it is possible to separate the individual spectrum for each aromatic ring by spin system filtering employing the multiple-quantum-single-quantum correlation methodology. Furthermore, the two spin states of fluorine are utilized to simplify the spectrum corresponding to each phenyl ring by the spin-state selection. The demonstrated technique reduces spectral complexity by a factor of 4, in addition to permitting the determination of long-range couplings of less than 0.2 Hz and the relative signs of heteronuclear couplings. The technique also aids the judicious choice of the spin-selective double-quantum-single-quantum J-resolved experiment to determine the long-range homonuclear couplings of smaller magnitudes.

  4. DFT study of electron absorption and emission spectra of pyramidal LnPc(OAc) complexes of some lanthanide ions in the solid state

    Science.gov (United States)

    Hanuza, J.; Godlewska, P.; Lisiecki, R.; Ryba-Romanowski, W.; Kadłubański, P.; Lorenc, J.; Łukowiak, A.; Macalik, L.; Gerasymchuk, Yu.; Legendziewicz, J.

    2018-05-01

    The electron absorption and emission spectra were measured for the pyramidal LnPc(OAc) complexes in the solid state and co-doped in silica glass, where Ln = Er, Eu and Ho. The theoretical electron spectra were determined from the quantum chemical DFT calculation using four approximations CAM-B3LYP/LANL2DZ, CAM-B3LYP/CC-PVDZ, B3LYP/LANL2DZ and B3LYP/CC-PVDZ. It was shown that the best agreement between the calculated and experimental structural parameters and spectroscopic data was reached for the CAM-B3LYP/LANL2DZ model. The emission spectra were measured using the excitations both in the ligand and lanthanide absorption ranges. The possibility of energy transfer between the phthalocyanine ligand and excited states of lanthanide ions was discussed. It was shown that the back energy transfer from metal states to phthalocyanine state is responsible for the observed emission of the studied complexes both in the polycrystalline state and silica glass.

  5. Sublethal concentrations of the platinum(II) complex [Pt(O,O'-acac)(gamma-acac)(DMS)] alter the motility and induce anoikis in MCF-7 cells.

    Science.gov (United States)

    Muscella, Antonella; Calabriso, Nadia; Vetrugno, Carla; Urso, Loredana; Fanizzi, Francesco Paolo; De Pascali, Sandra Angelica; Marsigliante, Santo

    2010-07-01

    We showed previously that a new Pt(II) complex ([Pt(O,O'-acac)(gamma-acac)(DMS)]) exerted high and fast apoptotic processes in MCF-7 cells. The objective of this study was to investigate the hypothesis that [Pt(O,O'-acac)(gamma-acac)(DMS)] is also able to exert anoikis and alter the migration ability of MCF-7 cells, and to show some of the signalling events leading to these alterations. Cells were treated with sublethal doses of [Pt(O,O'-acac)(gamma-acac)(DMS)], and the efficiency of colony initiation and anchorage-independent growth was assayed; cell migration was examined by in vitro culture wounding assay. Gelatin zymography for MMP-2 and -9 activities, Western blottings of MMPs, MAPKs, Src, PKC-epsilon and FAK, after [Pt(O,O'-acac)(gamma-acac)(DMS)] treatment, were also performed. Sub-cytotoxic drug concentrations decreased the: (i) anchorage-dependent and -independent growth; (ii) migration ability; and (iii) expression and activity of MMP-2 and MMP-9. [Pt(O,O'-acac)(gamma-acac)(DMS)] provoked the generation of reactive oxygen species (ROS), and the activation of p38MAPK, Src and PKC-epsilon. p38MAPK phosphorylation, cell anoikis and migration due to [Pt(O,O'-acac)(gamma-acac)(DMS)] were blocked by PKC-epsilon inhibition. Furthermore, Src inhibition blocked the [Pt(O,O'-acac)(gamma-acac)(DMS)]-provoked activation of PKC-epsilon, while ROS generation blockage inhibited the activation of Src, and also the decrement of phosphorylated FAK observed in detached [Pt(O,O'-acac)(gamma-acac)(DMS)]-treated cells. Sublethal concentrations of [Pt(O,O'-acac)(gamma-acac)(DMS)] induced anoikis and prevented events leading to metastasis via alterations in cell migration, anchorage independency, stromal interactions and MMP activity. Hence, [Pt(O,O'-acac)(gamma-acac)(DMS)] may be a promising therapeutic agent for preventing growth and metastasis of breast cancer.

  6. Estimation of the Vertical Distribution of Radiocesium in Soil on the Basis of the Characteristics of Gamma-Ray Spectra Obtained via Aerial Radiation Monitoring Using an Unmanned Helicopter.

    Science.gov (United States)

    Ochi, Kotaro; Sasaki, Miyuki; Ishida, Mutsushi; Hamamoto, Shoichiro; Nishimura, Taku; Sanada, Yukihisa

    2017-08-17

    After the Fukushima Daiichi Nuclear Power Plant accident, the vertical distribution of radiocesium in soil has been investigated to better understand the behavior of radiocesium in the environment. The typical method used for measuring the vertical distribution of radiocesium is troublesome because it requires collection and measurement of the activity of soil samples. In this study, we established a method of estimating the vertical distribution of radiocesium by focusing on the characteristics of gamma-ray spectra obtained via aerial radiation monitoring using an unmanned helicopter. The estimates are based on actual measurement data collected at an extended farm. In this method, the change in the ratio of direct gamma rays to scattered gamma rays at various depths in the soil was utilized to quantify the vertical distribution of radiocesium. The results show a positive correlation between the abovementioned and the actual vertical distributions of radiocesium measured in the soil samples. A vertical distribution map was created on the basis of this ratio using a simple equation derived from the abovementioned correlation. This technique can provide a novel approach for effective selection of high-priority areas that require decontamination.

  7. Estimation of the Vertical Distribution of Radiocesium in Soil on the Basis of the Characteristics of Gamma-Ray Spectra Obtained via Aerial Radiation Monitoring Using an Unmanned Helicopter

    Science.gov (United States)

    Ochi, Kotaro; Sasaki, Miyuki; Ishida, Mutsushi; Sanada, Yukihisa

    2017-01-01

    After the Fukushima Daiichi Nuclear Power Plant accident, the vertical distribution of radiocesium in soil has been investigated to better understand the behavior of radiocesium in the environment. The typical method used for measuring the vertical distribution of radiocesium is troublesome because it requires collection and measurement of the activity of soil samples. In this study, we established a method of estimating the vertical distribution of radiocesium by focusing on the characteristics of gamma-ray spectra obtained via aerial radiation monitoring using an unmanned helicopter. The estimates are based on actual measurement data collected at an extended farm. In this method, the change in the ratio of direct gamma rays to scattered gamma rays at various depths in the soil was utilized to quantify the vertical distribution of radiocesium. The results show a positive correlation between the abovementioned and the actual vertical distributions of radiocesium measured in the soil samples. A vertical distribution map was created on the basis of this ratio using a simple equation derived from the abovementioned correlation. This technique can provide a novel approach for effective selection of high-priority areas that require decontamination. PMID:28817098

  8. EFFECT OF MICROWAVE POWER ON SHAPE OF EPR SPECTRA--APPLICATION TO EXAMINATION OF COMPLEX FREE RADICAL SYSTEM IN THERMALLY STERILIZED ACIDUM BORICUM.

    Science.gov (United States)

    Ramos, Paweł; Pieprzyca, Małgorzata; Pilawa, Barbara

    2016-01-01

    Complex free radical system in thermally sterilized acidum boricum (AB) was studied. Acidum boricum was sterilized at temperatures and times given by pharmaceutical norms: 160 degrees C and 120 min, 170 degrees C and 60 min and 180 degrees C and 30 min. The advanced spectroscopic tests were performed. The EPR spectra of free radicals were measured as the first derivatives with microwaves of 9.3 GHz frequency and magnetic modulation of 100 kHz. The Polish X-band electron paramagnetic resonance spectrometer of Radiopan (Poznań) was used. EPR lines were not observed for the nonheated AB. The broad EPR asymmetric lines were obtained for all the heated AB samples. The influence of microwave power in the range of 2.2-70 mW on the shape of EPR spectra of the heated drug samples was tested. The following asymmetry parameters: A1/A2, A1-A2, B1/B2, and B1-B2, were analyzed. The changes of these parameters with microwave power were observed. The strong dependence of shape and its parameters on microwave power proved the complex character of free radical system in thermally sterilized AB. Changes of microwave power during the detection of EPR spectra indicated complex character of free radicals in AB sterilized in hot air under all the tested conditions. Thermolysis, interactions between free radicals and interactions of free radicals with oxygen may be responsible for the complex free radicals system in thermally treated AB. Usefulness of continuous microwave saturation of EPR lines and shape analysis to examine free radicals in thermally sterilized drugs was confirmed.

  9. Computational study of the signature of hydrogen-bond strength on the infrared spectra of a hydrogen-bonded complex dissolved in a polar liquid

    International Nuclear Information System (INIS)

    Hanna, Gabriel; Geva, Eitan

    2010-01-01

    The signature of hydrogen-bond strength on the one- and two-dimensional infrared spectra of the hydrogen-stretch in a hydrogen-bonded complex dissolved in a polar liquid was investigated via mixed quantum-classical molecular dynamics simulations. Non-Condon effects were found to intensify with increasing hydrogen-bond strength and to shift oscillator strength from the stable configurations that correspond to the ionic and covalent tautomers into unstable configurations that correspond to the transition-state between them. The transition-state peak is observed to blue shift and increase in intensity with increasing hydrogen-bond strength, and to dominate the spectra in the case of a strong hydrogen-bond. It is argued that the application of multidimensional infrared spectroscopy in the region of the transition-state peak can provide a uniquely direct probe of the molecular events underlying breaking and forming of hydrogen-bonds in the condensed phase.

  10. Influence of weak vibrational-electronic couplings on 2D electronic spectra and inter-site coherence in weakly coupled photosynthetic complexes

    Energy Technology Data Exchange (ETDEWEB)

    Monahan, Daniele M.; Whaley-Mayda, Lukas; Fleming, Graham R., E-mail: grfleming@lbl.gov [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Kavli Energy NanoSciences Institute at Berkeley, Berkeley, California 94720 (United States); Ishizaki, Akihito [Institute for Molecular Science, National Institutes of Natural Sciences, Okazaki 444-8585 (Japan)

    2015-08-14

    Coherence oscillations measured in two-dimensional (2D) electronic spectra of pigment-protein complexes may have electronic, vibrational, or mixed-character vibronic origins, which depend on the degree of electronic-vibrational mixing. Oscillations from intrapigment vibrations can obscure the inter-site coherence lifetime of interest in elucidating the mechanisms of energy transfer in photosynthetic light-harvesting. Huang-Rhys factors (S) for low-frequency vibrations in Chlorophyll and Bacteriochlorophyll are quite small (S ≤ 0.05), so it is often assumed that these vibrations influence neither 2D spectra nor inter-site coherence dynamics. In this work, we explore the influence of S within this range on the oscillatory signatures in simulated 2D spectra of a pigment heterodimer. To visualize the inter-site coherence dynamics underlying the 2D spectra, we introduce a formalism which we call the “site-probe response.” By comparing the calculated 2D spectra with the site-probe response, we show that an on-resonance vibration with Huang-Rhys factor as small as S = 0.005 and the most strongly coupled off-resonance vibrations (S = 0.05) give rise to long-lived, purely vibrational coherences at 77 K. We moreover calculate the correlation between optical pump interactions and subsequent entanglement between sites, as measured by the concurrence. At 77 K, greater long-lived inter-site coherence and entanglement appear with increasing S. This dependence all but vanishes at physiological temperature, as environmentally induced fluctuations destroy the vibronic mixing.

  11. Fluorescence-excitation and emission spectra from LH2 antenna complexes of Rhodopseudomonas acidophila as a function of the sample preparation conditions.

    Science.gov (United States)

    Kunz, Ralf; Timpmann, Kõu; Southall, June; Cogdell, Richard J; Köhler, Jürgen; Freiberg, Arvi

    2013-10-10

    The high sensitivity of optical spectra of pigment-protein complexes to temperature and pressure is well known. In the present study, we have demonstrated the significant influence of the environments commonly used in bulk and single-molecule spectroscopic studies at low temperatures on the LH2 photosynthetic antenna complex from Rhodopseudomonas acidophila. A transfer of this LH2 complex from a bulk-buffer solution into a spin-coated polymer film results in a 189 cm(-1) blue shift of the B850 excitonic absorption band at 5 K. Within the molecular exciton model, the origin of this shift could be disentangled into three parts, namely to an increase of the local site energies, a contraction of the exciton band, and a decrease of the displacement energy.

  12. Peroxisome proliferator-activated receptor gamma recruits the positive transcription elongation factor b complex to activate transcription and promote adipogenesis

    DEFF Research Database (Denmark)

    Iankova, Irena; Petersen, Rasmus K; Annicotte, Jean-Sébastien

    2006-01-01

    Positive transcription elongation factor b (P-TEFb) phosphorylates the C-terminal domain of RNA polymerase II, facilitating transcriptional elongation. In addition to its participation in general transcription, P-TEFb is recruited to specific promoters by some transcription factors such as c......-Myc or MyoD. The P-TEFb complex is composed of a cyclin-dependent kinase (cdk9) subunit and a regulatory partner (cyclin T1, cyclin T2, or cyclin K). Because cdk9 has been shown to participate in differentiation processes, such as muscle cell differentiation, we studied a possible role of cdk9...... with and phosphorylation of peroxisome proliferator-activated receptor gamma (PPARgamma), which is the master regulator of this process, on the promoter of PPARgamma target genes. PPARgamma-cdk9 interaction results in increased transcriptional activity of PPARgamma and therefore increased adipogenesis....

  13. Improvement effect of gamma-irradiated complex leaf extract of date plum, persimmon and mulberry on UVB-induced skin damage

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Ji Won; Cho, Byoung Ok; Che, Denis Nchang; Shin, Jae Young; Fang, Chong Zhou; Jang, Seon Il [Jeonju University, Jeonju (Korea, Republic of)

    2016-11-15

    This study was conducted to evaluate the improvement effect of gamma-irradiated complex leaf extract of Date Plum, Persimmon and Mulberry (γ-DPME) on UVB induced skin damage. The samples were gamma irradiated at doses of 10 kGy. γ-DPME treatment tended to decrease UVB-induced immune cell infiltration and erthyderma index than the groups treated with non-gamma-irradiated DPME (n-DPME) and L-ascobic acid (AA). In addition, γ-DPME treatment significantly decreased skin thickness, melanin index and mast cell infiltration in UVB-irradiated skin. Moreover, γ-DPME treatment significantly decreased the compound 48/80-induced scratching behavior and immune cell infiltration than n-DPME group. These results show that gamma irradiation can be used to increase the physiological activities of DPME.

  14. Effects of gamma irradiation on the DNA-protein complex between the estrogen response element and the estrogen receptor

    Energy Technology Data Exchange (ETDEWEB)

    Stisova, Viktorie [Department of Radiation Dosimetry, Nuclear Physics Institute AS CR, Na Truhlarce 39/64, 18086 Praha 8 (Czech Republic); Goffinont, Stephane; Spotheim-Maurizot, Melanie [Centre de Biophysique Moleculaire CNRS, rue Charles Sadron, 45071 Orleans Cedex 2 (France); Davidkova, Marie, E-mail: davidkova@ujf.cas.c [Department of Radiation Dosimetry, Nuclear Physics Institute AS CR, Na Truhlarce 39/64, 18086 Praha 8 (Czech Republic)

    2010-08-15

    Signaling by estrogens, risk factors in breast cancer, is mediated through their binding to the estrogen receptor protein (ER), followed by the formation of a complex between ER and a DNA sequence, called estrogen response element (ERE). Anti-estrogens act as competitive inhibitors by blocking the signal transduction. We have studied in vitro the radiosensitivity of the complex between ERalpha, a subtype of this receptor, and a DNA fragment bearing ERE, as well as the influence of an estrogen (estradiol) or an anti-estrogen (tamoxifen) on this radiosensitivity. We observe that the complex is destabilized upon irradiation with gamma rays in aerated aqueous solution. The analysis of the decrease of binding abilities of the two partners shows that destabilization is mainly due to the damage to the protein. The destabilization is reduced when irradiating in presence of tamoxifen and is increased in presence of estradiol. These effects are due to opposite influences of the ligands on the loss of binding ability of ER. The mechanism that can account for our results is: binding of estradiol or tamoxifen induces distinct structural changes of the ER ligand-binding domain that can trigger (by allostery) distinct structural changes of the ER DNA-binding domains and thus, can differently affect ER-ERE interaction.

  15. EPR of gamma irradiated solid sucrose and UV spectra of its solution. An attempt for calibration of solid state/EPR dosimetry

    International Nuclear Information System (INIS)

    Yordanov, N.D.; Karakirova, Y.

    2007-01-01

    A simple new approach for independent calibration of solid state/EPR (SS/EPR) dosimetry system is reported. It is based on the fact that: (i) gamma-irradiation of solid sucrose (sugar) induces stable EPR detectable free radicals accompanied by UV detectable brown colour stable in the solid state and in solution; (ii) both the EPR intensity of gamma-irradiated solid sucrose and its solution UV absorbance linearly depend on the absorbed dose high energy radiation and may be independently used for dosimetric purpose; (iii) UV spectrometers are calibrated. The correlation between EPR response and absorbed dose radiation of solid sucrose and UV absorption of its solutions is used in the present communication for calibration purpose. The procedure of sucrose extraction from sucrose-paraffin dosimeters is described. The calibration procedure may be applied to any other (alanine, self-calibrated, etc.) SS/EPR dosimeters, simultaneously irradiated with sucrose

  16. Antimicrobial and thermal properties of metal complexes of grafted fabrics with acrylic acid by gamma irradiation

    International Nuclear Information System (INIS)

    Hassan, M.S.; Attia, R.M.; Zohdy, M.H.; Khalil, E.M.

    2009-01-01

    Cotton, cotton/ ET blend and PET fabrics were treated against microbial effect by radiation -induced grafting of acrylic acid followed by metal complexation with some divalent transition metal ions like Co (l l), Ni(l l) and Cu(l l).The microbial resistance was evaluated by testing the mechanical properties of the treated fabrics after burring for one and two weeks in a moist soil reach with microorganisms. Also, the structural damage of the fabrics caused by biodegradation was examined by scanning electron microscope (SEM). Moreover, the effect of this treatment on the thermal decomposition behaviour was investigated by thermogravimetric analysis (TGA). On the basis of microbial studies, it was found that the metal complexation of the grafted fabrics with acrylic acid enhanced the microbial resistance of the fabrics and the microbial resistance could be arranged according to the complexed metal ions as follows: copper> nickel> cobalt. Also, the thermal stability of different fabrics could be arranged as follow: grafted fabrics complexes with Cu (l l) grafted fabrics complexes with Co (l l)

  17. Antimicrobial and Thermal Properties of Metal Complexes of Grafted Fabrics with Acrylic Acid by Gamma Irradiation

    International Nuclear Information System (INIS)

    Hassan, M.S.; Attia, R.M.; Zohdy, M.H.

    2008-01-01

    Cotton, cotton/PET blend and PET fabrics were treated against microbial effect by radiation - induced grafting of acrylic acid followed by metal complexation with some divalent transition metal ions Co (II), Ni (II) and Cu (II). The microbial resistance was evaluated by testing the mechanical properties of the treated fabrics after burring for one and two weeks in a moist soil reach with microorganisms. Also, the growth of microorganisms was examined by scanning electron microscope (SEM). Moreover, the effect of this treatment on the thermal decomposition behavior was investigated by thermogravimetric analysis (TGA). On the basis of microbial studies, it was found that the metal complexation of the grafted fabrics with acrylic acid enhanced the antimicrobial resistance of the fabrics and the antimicrobial resistance could be arranged according to the metal ions as follows: copper> nickel> cobalt. Also, the thermal stability of different fabrics could be arranged as follow: grafted fabrics complexed with Cu (II) > grafted fabrics complexed with Ni (II) > grafted fabrics complexed with Co (II)

  18. Use of X-Ray Absorption Spectra as a ``Fingerprint'' of the Local Environment in Complex Chalcogenides

    Science.gov (United States)

    Branci, C.; Womes, M.; Lippens, P. E.; Olivier-Fourcade, J.; Jumas, J. C.

    2000-03-01

    The local environment of tin, titanium, iron, and sulfur in spinel compounds Cu2FeSn3S8 and Cu2FeTi3S8 was studied by X-ray absorption spectroscopy (XAS) at the titanium, iron, sulfur K edges, and the tin LI-edge. As detailed calculations of the electronic structure of these compounds are difficult to carry out due to the large number of atoms contained in the unit cell, the XAS spectra of the spinels are compared to those of relatively simple binary sulfides like SnS2, TiS2, and FeS. Indeed, the metal environments in these binary compounds are very similar to those in the spinels, and they can be considered good model compounds allowing the interpretation of electronic transitions observed in the spectra of quaternary phases. In the latter, the bottom of the conduction band is mainly formed by Sn 5s-S 3p, Sn 5p-S 3p antibonding states for the tin-based compounds and by Ti 3dt2g-S 3p, Ti 3deg-S 3p antibonding states for the titanium-based compounds. It it shown that the local environment of iron atoms remains unchanged when substituting tin with titanium atoms, according to a topotactic substitution.

  19. Vibrational spectra of 1-hydroxy- and 1,4-dihydroxyanthraquinones and their magnesium chelate complexes. I. Isotopic effects of OH/OD and 24Mg/26Mg substitutions

    International Nuclear Information System (INIS)

    Kirszenbaum, Marek

    1977-01-01

    The vibrational spectra of 1-hydroxy- and 1,4-dihydroxyanthraquinones, their deuterated derivatives and their 24 Mg/ 26 Mg chelate complexes are examined in the spectral region 1700-250cm -1 . The study of deuteroxyanthraquinones allow an assignment of the OH/OD group vibrations and show the multiple coupling of the delta OH vibrations with the vCC and delta CH quinonic vibrations. These results lead to a modification of some spectral assignments of magnesium chelate complexe of 1-OH-AQ. The isotopic 24 Mg/ 26 Mg substitution enables the chelate ring vibrations which depend on the motions of the magnesium atom to be observed. The vC=O and vC-O vibrations frequencies of magnesium chelate complexe [Mg(1,4-O 2 -AQ)]sub(n) show an important difference of the chelate ring electronic state in comparison of those of 1,4-(OH) 2 -AQ. The discussion of the infrared and Raman spectra in the Mg-O vibrations region lead to the conclusion that the configuration of oxygens arround the magnesium is tetrahedral [fr

  20. A new tridentate Schiff base Cu(II) complex: synthesis, experimental and theoretical studies on its crystal structure, FT-IR and UV-Visible spectra.

    Science.gov (United States)

    Saheb, Vahid; Sheikhshoaie, Iran; Setoodeh, Nasim; Rudbari, Hadi Amiri; Bruno, Giuseppe

    2013-06-01

    A new Cu(II) complex [Cu(L)(NCS)] has been synthesized, using 1-(N-salicylideneimino)-2-(N,N-methyl)-aminoethane as tridentate ONN donor Schiff base ligand (HL). The dark green crystals of the compound are used for single-crystal X-ray analysis and measuring Fourier Transform Infrared (FT-IR) and UV-Visible spectra. Electronic structure calculations at the B3LYP and MP2 levels of theory are performed to optimize the molecular geometry and to calculate the UV-Visible and FT-IR spectra of the compound. Vibrational assignments and analysis of the fundamental modes of the compound are performed. Time-dependent density functional theory (TD-DFT) method is used to calculate the electronic transitions of the complex. A scaling factor of 1.015 is obtained for vibrational frequencies computed at the B3LYP level using basis sets 6-311G(d,p). It is found that solvent has a profound effect on the electronic absorption spectrum. The UV-Visible spectrum of the complex recorded in DMSO and DMF solution can be correctly predicted by a model in which DMSO and DMF molecules are coordinated to the central Cu atom via their oxygen atoms. Copyright © 2013 Elsevier B.V. All rights reserved.

  1. EPR spectroscopy of MRI-related Gd(III) complexes: simultaneous analysis of multiple frequency and temperature spectra, including static and transient crystal field effects.

    Science.gov (United States)

    Rast, S; Borel, A; Helm, L; Belorizky, E; Fries, P H; Merbach, A E

    2001-03-21

    For the first time, a very general theoretical method is proposed to interpret the full electron paramagnetic resonance (EPR) spectra at multiple temperatures and frequencies in the important case of S-state metal ions complexed in liquid solution. This method is illustrated by a careful analysis of the measured spectra of two Gd3+ (S = 7/2) complexes. It is shown that the electronic relaxation mechanisms at the origin of the EPR line shape arise from the combined effects of the modulation of the static crystal field by the random Brownian rotation of the complex and of the transient zero-field splitting. A detailed study of the static crystal field mechanism shows that, contrarily to the usual global models involving only second-order terms, the fourth and sixth order terms can play a non-negligible role. The obtained parameters are well interpreted in the framework of the physics of the various underlying relaxation processes. A better understanding of these mechanisms is highly valuable since they partly control the efficiency of paramagnetic metal ions in contrast agents for medical magnetic resonance imaging (MRI).

  2. Gamma-irradiation and neutron effect on DNA-membrane complexes of mammalian cells

    International Nuclear Information System (INIS)

    Lapidus, I.L.; Nazarov, V.M.; Ehrtsgreber, G.

    1984-01-01

    The first results of radiobiological investigations in the biophysical channel of the JINR reactor IBR-2 are presented. Sedimentation behaviour of DNA-membrane complexes has been studied at irradiation of the Chinese hamster cells (VT9-4) in a wide dose range of 137 Cs γ-irradiation and neutrons. An earlier assumption of the authors on the role of DNA double-strand breaks in changing the relative sedimentation velocity of complexes at irradiation of cells with doses over 50 Gy has been confirmed

  3. About cosmic gamma ray lines

    Science.gov (United States)

    Diehl, Roland

    2017-06-01

    Gamma ray lines from cosmic sources convey the action of nuclear reactions in cosmic sites and their impacts on astrophysical objects. Gamma rays at characteristic energies result from nuclear transitions following radioactive decays or high-energy collisions with excitation of nuclei. The gamma-ray line from the annihilation of positrons at 511 keV falls into the same energy window, although of different origin. We present here the concepts of cosmic gamma ray spectrometry and the corresponding instruments and missions, followed by a discussion of recent results and the challenges and open issues for the future. Among the lessons learned are the diffuse radioactive afterglow of massive-star nucleosynthesis in 26Al and 60Fe gamma rays, which is now being exploited towards the cycle of matter driven by massive stars and their supernovae; large interstellar cavities and superbubbles have been recognised to be of key importance here. Also, constraints on the complex processes making stars explode as either thermonuclear or core-collapse supernovae are being illuminated by gamma-ray lines, in this case from shortlived radioactivities from 56Ni and 44Ti decays. In particular, the three-dimensionality and asphericities that have recently been recognised as important are enlightened in different ways through such gamma-ray line spectroscopy. Finally, the distribution of positron annihilation gamma ray emission with its puzzling bulge-dominated intensity disctribution is measured through spatially-resolved spectra, which indicate that annihilation conditions may differ in different parts of our Galaxy. But it is now understood that a variety of sources may feed positrons into the interstellar medium, and their characteristics largely get lost during slowing down and propagation of positrons before annihilation; a recent microquasar flare was caught as an opportunity to see positrons annihilate at a source.

  4. Molecular dynamics simulation and TDDFT study of the structures and UV-vis absorption spectra of MCT-β-CD and its inclusion complexes.

    Science.gov (United States)

    Lu, Huijuan; Wang, Yujiao; Xie, Xiaomei; Chen, Feifei; Li, Wei

    2015-01-01

    In this research, the inclusion ratios and inclusion constants of MCT-β-CD/PERM and MCT-β-CD/CYPERM inclusion complexes were measured by UV-vis and fluorescence spectroscopy. The inclusion ratios are both 1:1, and the inclusion constants are 60 and 342.5 for MCT-β-CD/PERM and MCT-β-CD/CYPERM, respectively. The stabilities of inclusion complexes were investigated by MD simulation. MD shows that VDW energy plays a vital role in the stability of inclusion complex, and the destruction of inclusion complex is due to the increasing temperature. The UV-vis absorption spectra of MCT-β-CD and its inclusion complexes were studied by time-dependent density functional theory (TDDFT) method employing BLYP-D3, B3LYP-D3 and M06-2X-D3 functionals. BLYP-D3 well reproduces the UV-vis absorption spectrum and reveals that the absorption bands of MCT-β-CD mainly arise from n→π(∗) and n→σ(∗) transition, and those of inclusion complexes mainly arise from intramolecular charge transfer (ICT). ICT results in the shift of main absorption bands of MCT-β-CD. Copyright © 2015 Elsevier B.V. All rights reserved.

  5. Experimental and Theoretical Investigations of Infrared Multiple Photon Dissociation Spectra of Aspartic Acid Complexes with Zn2+ and Cd2.

    Science.gov (United States)

    Boles, Georgia C; Hightower, Randy L; Coates, Rebecca A; McNary, Christopher P; Berden, Giel; Oomens, Jos; Armentrout, P B

    2018-04-12

    Complexes of aspartic acid (Asp) cationized with Zn 2+ : Zn(Asp-H) + , Zn(Asp-H) + (ACN) where ACN = acetonitrile, and Zn(Asp-H) + (Asp); as well as with Cd 2+ , CdCl + (Asp), were examined by infrared multiple photon dissociation (IRMPD) action spectroscopy using light generated from a free electron laser. A series of low-energy conformers for each complex was found using quantum chemical calculations to identify the structures formed experimentally. The main binding motif observed for the heavy-metal complex, CdCl + (Asp)[N,CO,CO s ], is a charge-solvated, tridentate structure, where the metal center binds to the backbone amino group and carbonyl oxygens of the backbone and side-chain carboxylic acids. Likewise, the deprotonated Zn(Asp-H) + (ACN) and Zn(Asp-H) + (Asp) complexes show comparable [N,CO - ,CO s ](ACN) and [N,CO - ,CO s ][N,CO,CO s ] coordinations, respectively. Interestingly, there was only minor spectral evidence for the analogous Zn(Asp-H) + [N,CO - ,CO s ] binding motif, even though this species is predicted to be the lowest-energy conformer. Instead, rearrangement and partial dissociation of the amino acid are observed, as spectral features most consistent with the experimental spectrum are exhibited by a four-coordinate Zn(Asp-NH 4 ) + [CO 2 - ,CO s ](NH 3 ) complex. Analysis of the mechanistic pathway leading from the predicted lowest-energy conformer to the isobaric deaminated complex is explored theoretically. Further, comparison of the current work to that of Zn 2+ and Cd 2+ complexes of asparagine (Asn) allows additional conclusions regarding populated conformers and effects of carboxamide versus carboxylic acid binding to be drawn.

  6. The application of iterative transformation factor analysis to resolve multi-component EXAFS spectra of uranium(6) complexes with acetic acid as a function of pH

    International Nuclear Information System (INIS)

    Robberg, A.; Reich, T.

    2002-01-01

    Synchrotron-based EXAFS spectroscopy is a powerful technique to obtain structural information on radionuclide complexes in solution. Depending on the chemical conditions of the samples several radionuclide species can coexist in the solution as is often the case for environmentally related samples. All radionuclide species, which may have different near-neighbour environments, contribute to the measured EXAFS signal. In order to isolate the EXAFS spectra of the individual species (pure spectral components), it is necessary, in a first step, to measure a series of samples where their composition is changed by variation of one physico-chemical parameter (e.g. pH, concentration, etc.). For the spectral decomposition it is necessary that the EXAFS signal change as a function of the chosen physico-chemical parameter. In a second step, the series of EXAFS spectra is analysed with Eigen analysis and Iterative Transformation Factor Analysis (ITFA). As a result of the ITFA one obtains: a) for each sample the relative concentration of the structural distinguishable species and b) their corresponding pure spectral components. From the information obtained in a), one can construct a speciation diagram. The pure spectral components contain the structural information of the individual species, which can be extracted by conventional EXAFS analysis. To evaluate our ITFA algorithm for EXAFS analysis of mixtures, we prepared a series of eight solution samples of 0.05 M uranium(VI) and 1 M acetate (Ac) in the pH range of 0.1 to 4.5. From thermodynamic constants it is known that under these conditions up to four species can occur: uranyl hydrate, and the 1:1, 1:2 and 1:3 complexes of uranyl acetate. The uranium L III -edge EXAFS spectra were measured at room temperature in transmission mode at the Rossendorf Beamline (ROBL) at the ESRF. The average bond length between uranium and the equatorial oxygen atoms (O eq ) increases from 2.40 to 2.46 angstrom with increasing pH. This increase

  7. Unquenched Complex Dirac Spectra at Nonzero Chemical Potential: Two-Color QCD Lattice Data versus Matrix Model

    International Nuclear Information System (INIS)

    Akemann, Gernot; Bittner, Elmar

    2006-01-01

    We compare analytic predictions of non-Hermitian chiral random matrix theory with the complex Dirac operator eigenvalue spectrum of two-color lattice gauge theory with dynamical fermions at nonzero chemical potential. The Dirac eigenvalues come in complex conjugate pairs, making the action of this theory real and positive for our choice of two staggered flavors. This enables us to use standard Monte Carlo simulations in testing the influence of the chemical potential and quark mass on complex eigenvalues close to the origin. We find excellent agreement between the analytic predictions and our data for two different volumes over a range of chemical potentials below the chiral phase transition. In particular, we detect the effect of unquenching when going to very small quark masses

  8. Dosimetric characterization of hypofractionated Gamma Knife radiosurgery of large or complex brain tumors versus linear accelerator-based treatments.

    Science.gov (United States)

    Dong, Peng; Pérez-Andújar, Angélica; Pinnaduwage, Dilini; Braunstein, Steve; Theodosopoulos, Philip; McDermott, Michael; Sneed, Penny; Ma, Lijun

    2016-12-01

    OBJECTIVE Noninvasive Gamma Knife (GK) platforms, such as the relocatable frame and on-board imaging, have enabled hypofractionated GK radiosurgery of large or complex brain lesions. This study aimed to characterize the dosimetric quality of such treatments against linear accelerator-based delivery systems that include the CyberKnife (CK) and volumetric modulated arc therapy (VMAT). METHODS Ten patients treated with VMAT at the authors' institution for large brain tumors (> 3 cm in maximum diameter) were selected for the study. The median prescription dose was 25 Gy (range 20-30 Gy) in 5 fractions. The median planning target volume (PTV) was 9.57 cm 3 (range 1.94-24.81 cm 3 ). Treatment planning was performed using Eclipse External Beam Planning V11 for VMAT on the Varian TrueBeam system, Multiplan V4.5 for the CyberKnife VSI System, and Leksell GammaPlan V10.2 for the Gamma Knife Perfexion system. The percentage of the PTV receiving at least the prescription dose was normalized to be identical across all platforms for individual cases. The prescription isodose value for the PTV, conformity index, Paddick gradient index, mean and maximum doses for organs at risk, and normal brain dose at variable isodose volumes ranging from the 5-Gy isodose volume (V5) to the 15-Gy isodose volume (V15) were compared for all of the cases. RESULTS The mean Paddick gradient index was 2.6 ± 0.2, 3.2 ± 0.5, and 4.3 ± 1.0 for GK, CK, and VMAT, respectively (p 0.06). The average prescription isodose values were 52% (range 47%-69%), 60% (range 46%-68%), and 88% (range 70%-94%) for GK, CK, and VMAT, respectively, thus producing significant variations in dose hot spots among the 3 platforms. Furthermore, the mean V5 values for GK and CK were similar (p > 0.79) at 71.9 ± 36.2 cm 3 and 73.3 ± 31.8 cm 3 , respectively, both of which were statistically lower (p linear accelerator-based treatments. Such a result supports the use of a large number of isocenters or confocal beams for the

  9. L-lysine-L-tartaric acid: New molecular complex with nonlinear optical properties. Structure, vibrational spectra and phase transitions

    International Nuclear Information System (INIS)

    Debrus, S.; Marchewka, M.K.; Baran, J.; Drozd, M.; Czopnik, R.; Pietraszko, A.; Ratajczak, H.

    2005-01-01

    The first X-ray diffraction and vibrational spectroscopic analysis of a novel complex between L-lysine and L-tartaric acid is reported. The structure was solved in two temperatures (320 and 260 K) showing incommensurate phase between them. Room-temperature powder infrared and Raman measurements for the L-lysine-L-tartaric acid molecular complex (1:1) were carried out. DSC measurements on powder samples indicate two phase transitions points at about 295, 300 and 293, 300 K, for heating and cooling, respectively, with noticeable temperature interval between them. Second harmonic generation efficiency d eff =0.35 d eff (KDP)

  10. Analysis of ({sup 7}F{sub 0}){gamma}{sub 1g}{yields}({sup 5}D{sub 2}){gamma}{sub 5g}, {gamma}{sub 3g} and ({sup 7}F{sub 0}){gamma}{sub 1g}{yields}({sup 5}L{sub 6}){gamma}{sub 1g}, a{gamma}{sub 5g} two-photon absorption spectra of Cs{sub 2}NaYF{sub 6}:Eu{sup 3+}

    Energy Technology Data Exchange (ETDEWEB)

    Ning Lixin; Wang Dianyuan; Xia Shangda [Structure Research Laboratory, Academica Sinica, Department of Physics, University of Science and Technology of China, Heifei, Anhui (China); Thorne, Jonathan R.G. [Inorganic Chemistry Laboratory, Department of Chemistry, University of Oxford (United Kingdom); Tanner, Peter A. [Department of Biology and Chemistry, City University of Hong Kong, Kowloon (China)

    2002-04-15

    The direct calculation of transition line strengths and relative intensities is presented for two intraconfigurational two-photon absorption (TPA) transitions of Eu{sup 3+} in the cubic Cs{sub 2}NaYF{sub 6} host. Crystal field wavefunctions were utilized for the initial and final f{sup N}-electron states and various approaches were used in constructing all the 4f{sup N-1} 5d{sup 1} intermediate-state wavefunctions. The calculated relative intensities of the ({sup 7}F{sub 0}) {gamma}{sub 1g}{yields}({sup 5}D{sub 2}){gamma}{sub 5g}, {gamma}{sub 3g} TPA transitions are in reasonable agreement with experiment. The neglect of J-mixing in the initial state has only a small effect upon the calculation, whereas the neglect of spin-orbit couplings within the initial and terminal states drastically reduces the calculated transition linestrengths, but does not markedly change the intensity ratios. In the case of the ({sup 7}F{sub 0}){gamma}{sub 1g}{yields}({sup 5}L{sub 6}){gamma}{sub 1g}, a{gamma}{sub 5g} transitions, serious discrepancies between experiment and theory are found if the intermediate states are constructed from a 4f{sup 5} core comprising free ion states and the 5d{sup 1} crystal field states. Satisfactory agreement is, however, found when the 4f{sup 5} crystal field states are utilized in constructing the intermediate states. The contributions to the transition moment have been evaluated for various Hamiltonian terms and the results are discussed. (author)

  11. Cloning, characterization and sub-cellular localization of gamma subunit of T-complex protein-1 (chaperonin) from Leishmania donovani

    International Nuclear Information System (INIS)

    Bhaskar,; Kumari, Neeti; Goyal, Neena

    2012-01-01

    Highlights: ► The study presents cloning and characterization of TCP1γ gene from L. donovani. ► TCP1γ is a subunit of T-complex protein-1 (TCP1), a chaperonin class of protein. ► LdTCPγ exhibited differential expression in different stages of promastigotes. ► LdTCPγ co-localized with actin, a cytoskeleton protein. ► The data suggests that this gene may have a role in differentiation/biogenesis. ► First report on this chapronin in Leishmania. -- Abstract: T-complex protein-1 (TCP1) complex, a chaperonin class of protein, ubiquitous in all genera of life, is involved in intracellular assembly and folding of various proteins. The gamma subunit of TCP1 complex (TCP1γ), plays a pivotal role in the folding and assembly of cytoskeleton protein(s) as an individual or complexed with other subunits. Here, we report for the first time cloning, characterization and expression of the TCP1γ of Leishmania donovani (LdTCP1γ), the causative agent of Indian Kala-azar. Primary sequence analysis of LdTCP1γ revealed the presence of all the characteristic features of TCP1γ. However, leishmanial TCP1γ represents a distinct kinetoplastid group, clustered in a separate branch of the phylogenic tree. LdTCP1γ exhibited differential expression in different stages of promastigotes. The non-dividing stationary phase promastigotes exhibited 2.5-fold less expression of LdTCP1γ as compared to rapidly dividing log phase parasites. The sub-cellular distribution of LdTCP1γ was studied in log phase promastigotes by employing indirect immunofluorescence microscopy. The protein was present not only in cytoplasm but it was also localized in nucleus, peri-nuclear region, flagella, flagellar pocket and apical region. Co-localization of LdTCP1γ with actin suggests that, this gene may have a role in maintaining the structural dynamics of cytoskeleton of parasite.

  12. The radiolysis of CMPO: effects of acid, metal complexation and alpha vs. gamma radiation

    International Nuclear Information System (INIS)

    Mincher, B.J.; Groenewold, G.S.; Mezyk, S.P.

    2016-01-01

    The organophosphorus amide octyl(phenyl)-N,N-diisobutyl-carbamoylmethyl phosphine oxide (CMPO) is proposed for use in fuel cycle separations as a group actinide/lanthanide extractant. Alternative compounds such as the mono-amides and diglycol amides (DGAs) proposed for actinide and/or actinide/lanthanide extraction also contain the amidic functional group, but do not contain the CMPO aromatic or phosphoryl groups. Their radiation stability is in the order mono-amides > CMPO > DGA for irradiation under similar conditions. Although they produce similar radiolysis products, the kinetics of degradation for CMPO are completely different than for the other amides. CMPO degradation occurs in a zero-order fashion, and the -G-value for the change in [CMPO] is much lower when in the presence of acid. The DGAs and mono-amides degrade with pseudo-first-order kinetics and are not protected by acidity. Possible mechanistic reasons for the differences between CMPO and the other amides are discussed, as are the effects of the diluent and metal complexation on CMPO free radical reaction rates. Finally, it is also shown that α-irradiation has much less adverse effects on CMPO degradation than β/γ irradiation, both with respect to -G-values, and radiolysis product generation. (authors)

  13. The radiolysis of CMPO: effects of acid, metal complexation and alpha vs. gamma radiation

    Energy Technology Data Exchange (ETDEWEB)

    Mincher, B.J.; Groenewold, G.S. [Idaho National Laboratory, PO Box 1625, Idaho Falls, ID 83415 (United States); Mezyk, S.P. [California State University at Long Beach, Long Beach, CA 90840 (United States)

    2016-07-01

    The organophosphorus amide octyl(phenyl)-N,N-diisobutyl-carbamoylmethyl phosphine oxide (CMPO) is proposed for use in fuel cycle separations as a group actinide/lanthanide extractant. Alternative compounds such as the mono-amides and diglycol amides (DGAs) proposed for actinide and/or actinide/lanthanide extraction also contain the amidic functional group, but do not contain the CMPO aromatic or phosphoryl groups. Their radiation stability is in the order mono-amides > CMPO > DGA for irradiation under similar conditions. Although they produce similar radiolysis products, the kinetics of degradation for CMPO are completely different than for the other amides. CMPO degradation occurs in a zero-order fashion, and the -G-value for the change in [CMPO] is much lower when in the presence of acid. The DGAs and mono-amides degrade with pseudo-first-order kinetics and are not protected by acidity. Possible mechanistic reasons for the differences between CMPO and the other amides are discussed, as are the effects of the diluent and metal complexation on CMPO free radical reaction rates. Finally, it is also shown that α-irradiation has much less adverse effects on CMPO degradation than β/γ irradiation, both with respect to -G-values, and radiolysis product generation. (authors)

  14. COSANI-2, Gamma Doses from SABINE Calculation, Activity from ANISN Flux Calculation

    International Nuclear Information System (INIS)

    Dupont, C.

    1975-01-01

    1 - Nature of physical problem solved: Retrieval of SABINE and/or ANISN results. Calculates in case of SABINE results the individual contributions of capture gamma rays in each region to the total gamma dose and to the total gamma heating may calculate in case of ANISN new activity rates starting from ANISN flux saved on tape and activity cross sections taken on an ANISN binary library tape. The program can draw on a BENSON plotter any of the following quantities: - group flux; - activity rates; - dose rates; - neutron spectra for SABINE; - neutron or gamma direct or adjoint spectra for ANISN; - gamma heating and dose rate for SABINE including individual contributions from each region. Several ANISN and/or SABINE cases can be drawn on the same graph for comparison purposes. 2 - Restrictions on the complexity of the problem: Maximum number of: - tapes containing ANISN and/or SABINE results: 5; - curves per graph: 3; - regions: 40; - points per curve: 500; - energy groups: 200

  15. Infrared Spectra of Novel NgBeSO2 Complexes (Ng = Ne, Ar, Kr, Xe) in Low Temperature Matrixes.

    Science.gov (United States)

    Yu, Wenjie; Liu, Xing; Xu, Bing; Xing, Xiaopeng; Wang, Xuefeng

    2016-11-03

    The novel noble-gas complexes NgBeSO 2 (Ng = Ne, Ar, Kr, Xe) have been prepared in the laser-evaporated beryllium atom reactions with SO 2 in low-temperature matrixes. Doped with heavier noble gas, the guest (Ar, Kr, Xe) atom can substitute neon to form more stable complex. Infrared spectroscopy and theoretical calculations are used to confirm the band assignment. The dissociation energies are calculated at 0.9, 4.0, 4.7, and 6.0 kcal/mol for NeBeSO 2 , ArBeSO 2 , KrBeSO 2 , and XeBeSO 2 , respectively, at the CCSD(T) level. Quantum chemical calculations demonstrate that the Ng-Be bonds in NgBeSO 2 could be formed by the combination of electron-donation and ion-induced dipole interactions. The Wiberg bond index (WBI) values of Ng-Be bonds and LOL (localized orbital locator) profile indicate that the Ng-Be bond exhibits a gradual increase in covalent character along Ne to Xe.

  16. Cyanide bridged hetero-metallic polymeric complexes: Syntheses, vibrational spectra, thermal analyses and crystal structures of complexes [M(1,2-dmi)2Ni(μ-CN)4]n (M = Zn(II) and Cd(II))

    Science.gov (United States)

    Kürkçüoğlu, Güneş Süheyla; Sayın, Elvan; Şahin, Onur

    2015-12-01

    Two cyanide bridged hetero-metallic complexes of general formula, [M(1,2-dmi)2Ni(μ-CN)4]n (1,2-dmi = 1,2-dimethylimidazole and M = Zn(II) or Cd(II)) have been synthesized and characterized by vibrational (FT-IR and Raman) spectroscopy, single crystal X-ray diffraction, thermal analyses and elemental analyses. The crystallographic analyses reveal that the complexes, [Zn(1,2-dmi)2Ni(μ-CN)4] (1) and [Cd(1,2-dmi)2Ni(μ-CN)4] (2), have polymeric 2D networks. In the complexes, four cyanide groups of [Ni(CN)4]2- coordinated to the adjacent M(II) ions and distorted octahedral geometries of complexes are completed by two nitrogen atoms of trans 1,2-dmi ligands. The structures of 1 and 2 are similar and linked via intermolecular hydrogen bonding, C-H⋯Ni interactions to give rise to 3D networks. Vibration assignments are given for all the observed bands and the spectral features also supported to the crystal structures of heteronuclear complexes. The FT-IR and Raman spectra of the complexes are very much consistent with the structural data presented.

  17. Ab initio molecular orbital studies of the vibrational spectra of the van der Waals complexes of boron trifluoride with the noble gases.

    Science.gov (United States)

    Ford, Thomas A

    2005-05-01

    The molecular structures, interaction energies, charge transfer properties and vibrational spectra of the van der Waals complexes formed between boron trifluoride and the noble gases neon, argon, krypton and xenon have been computed using second and fourth order Møller-Plesset perturbation theory and the Los Alamos National Laboratory LANL2DZ basis set. The complexes are all symmetric tops, with the noble gas atom acting as a sigma electron donor along the C3 axis of the BF3 molecule. The interaction energies are all vanishingly small, and the amount of charge transferred in each case is of the order of 0.01e. The directions of the wavenumber shifts of the symmetric bending (nu2) and antisymmetric stretching (nu3) modes of the BF3 fragment confirm those determined experimentally, and the shifts are shown to correlate well with the polarizability of the noble gas atom and the inverse sixth power of the intermonomer separation. The nu2 mode is substantially more sensitive to complexation than the nu3 vibration.

  18. Computer processing of {gamma} spectra. Application to the dosage of mixed natural or artificial radioelements; Traitement par ordinateur des spectres {gamma}. Application au dosage de melanges de radioelements naturels ou artificiels

    Energy Technology Data Exchange (ETDEWEB)

    Coulomb, R; Goldsztein, M; Schiltz, J C [Commissariat a l' Energie Atomique, Fontenay-aux-Roses (France). Centre d' Etudes Nucleaires

    1965-07-01

    A program, written in Fortran II for IBM 7034 II, permitting resolution by means of least squares of a mixture of natural or artificial radioelements, is described. The spectra are processed in measurement batches, making up a homogeneous study, which comprise standards and samples. This highly versatile program may either ensure the processing of a great number of daily analyses, or be used pending development of radiochemical methods. The feeding of data has been simplified as much as possible. On the contrary, at the outlet, the numerical or graphical controls, error computations, and the printing of results in clear and legible form have been multiplied. In spite of this, the calculation times are exceedingly short. Several independent studies which include about sixty spectra may be processed in less than five minutes. (authors) [French] On decrit un programme, redige en Fortran H, pour IBM 7094 H, permettant la resolution par les moindres carres d'un melange de radioelements naturels ou artificiels. Les spectres sont traites par groupe de mesures, constituant une etude homogene, comprenant etalons et echantillons. Ce programme, extremement souple, peut, soit repondre a une production journaliere importante d'analyses, soit etre utilise en periode de mise au point de methodes radiochimiques. L'introduction des donnees a ete simplifiee au maximum. Au contraire, a la 'sortie', on a multiplie les controles numeriques ou graphiques, les calculs d'erreur, les impressions de resultats sous une forme aussi claire et lisible que possible. Malgre cela, les temps de calculs sont extremement brefs, plusieurs etudes independantes comportant une soixantaine de spectres peuvent etre traitees en moins de 5 minutes. (auteurs)

  19. A new method for the reconstruction of very-high-energy gamma-ray spectra and application to galatic cosmic-ray accelerators

    Energy Technology Data Exchange (ETDEWEB)

    Fernandes, Milton Virgilio

    2014-09-15

    In this thesis, high-energy (HE; E>0.1 GeV) and very-high-energy (VHE; E>0.1 TeV) γ-ray data were investigated to probe Galactic stellar clusters (SCs) and star-forming regions (SFRs) as sites of hadronic Galactic cosmic-ray (GCR) acceleration. In principle, massive SCs and SFRs could accelerate GCRs at the shock front of the collective SC wind fed by the individual high-mass stars. The subsequently produced VHE γ rays would be measured with imaging air-Cherenkov telescopes (IACTs). A couple of the Galactic VHE γ-ray sources, including those potentially produced by SCs, fill a large fraction of the field-of-view (FoV) and require additional observations of source-free regions to determine the dominant background for a spectral reconstruction. A new method of reconstructing spectra for such extended sources without the need of further observations is developed: the Template Background Spectrum (TBS). This methods is based on a method to generate skymaps, which determines background in parameter space. The idea is the creation of a look-up of the background normalisation in energy, zenith angle, and angular separation and to account for possible systematics. The results obtained with TBS and state-of-the-art background-estimation methods on H.E.S.S. data are in good agreement. With TBS even those sources could be reconstructed that normally would need further observations. Therefore, TBS is the third method to reconstruct VHE γ-ray spectra, but the first one to not need additional observations in the analysis of extended sources. The discovery of the largest VHE γ-ray source HESSJ1646-458 (2.2 in size) towards the SC Westerlund 1 (Wd1) can be plausibly explained by the SC-wind scenario. But owing to its size, other alternative counterparts to the TeV emission (pulsar, binary system, magnetar) were found in the FoV. Therefore, an association of HESSJ1646-458 with the SC is favoured, but cannot be confirmed. The SC Pismis 22 is located in the centre of the

  20. A new method for the reconstruction of very-high-energy gamma-ray spectra and application to galatic cosmic-ray accelerators

    International Nuclear Information System (INIS)

    Fernandes, Milton Virgilio

    2014-09-01

    In this thesis, high-energy (HE; E>0.1 GeV) and very-high-energy (VHE; E>0.1 TeV) γ-ray data were investigated to probe Galactic stellar clusters (SCs) and star-forming regions (SFRs) as sites of hadronic Galactic cosmic-ray (GCR) acceleration. In principle, massive SCs and SFRs could accelerate GCRs at the shock front of the collective SC wind fed by the individual high-mass stars. The subsequently produced VHE γ rays would be measured with imaging air-Cherenkov telescopes (IACTs). A couple of the Galactic VHE γ-ray sources, including those potentially produced by SCs, fill a large fraction of the field-of-view (FoV) and require additional observations of source-free regions to determine the dominant background for a spectral reconstruction. A new method of reconstructing spectra for such extended sources without the need of further observations is developed: the Template Background Spectrum (TBS). This methods is based on a method to generate skymaps, which determines background in parameter space. The idea is the creation of a look-up of the background normalisation in energy, zenith angle, and angular separation and to account for possible systematics. The results obtained with TBS and state-of-the-art background-estimation methods on H.E.S.S. data are in good agreement. With TBS even those sources could be reconstructed that normally would need further observations. Therefore, TBS is the third method to reconstruct VHE γ-ray spectra, but the first one to not need additional observations in the analysis of extended sources. The discovery of the largest VHE γ-ray source HESSJ1646-458 (2.2 in size) towards the SC Westerlund 1 (Wd1) can be plausibly explained by the SC-wind scenario. But owing to its size, other alternative counterparts to the TeV emission (pulsar, binary system, magnetar) were found in the FoV. Therefore, an association of HESSJ1646-458 with the SC is favoured, but cannot be confirmed. The SC Pismis 22 is located in the centre of the

  1. EPR structure of the gamma irradiated alanine spectrum

    Energy Technology Data Exchange (ETDEWEB)

    Cabral P, A; Jimenez D, H; Urena N, F; Galindo, S; Bosch, P

    1992-03-15

    In this study is shown that the broadened five-line EPR pattern of the gamma irradiated alanine possibly decomposes into a more complex pattern when the recorded spectrum is subject to an operation of deconvolution. The EPR powder spectra of gamma irradiated DL- and L-alanine with and without binders are analysed. In all recorded spectra, each observed line is resolved into an asymmetrical triplet when a Gaussian distribution of 8.2 gauss width is removed, by deconvolution, from the observed spectrum. On the other hand, from a simple fitting analysis carried out on the original data, one encounters that some calculated relations between characteristic parameters, such as intensity ratios, deviate consistently from assumed height ratios. Both, from deconvolution and fitting results, a different structure is suggested for the observed broadened five-line EPR pattern of {gamma}-irradiated powder DL- and L-alanine. (Author)

  2. Evaluation of secondary and prompt fission neutron spectra

    Energy Technology Data Exchange (ETDEWEB)

    Porodzinskij, Yu.V.; Sukhovitskij, E.Sh. [Radiation Physics and Chemistry Problems Inst., Minsk-Sosny (Belarus)

    1997-03-01

    A simple model allowing to split neutron emission spectra into reaction partials is suggested. Predicted spectra of (n,n`{gamma}), (n,n`f), etc appear to be much harder than usually evaluated. (author)

  3. BETA SPECTRA. I. Negatrons spectra

    International Nuclear Information System (INIS)

    Grau Malonda, A.; Garcia-Torano, E.

    1978-01-01

    Using the Fermi theory of beta decay, the beta spectra for 62 negatrons emitters have been computed introducing a correction factor for unique forbidden transitions. These spectra are plotted vs. energy, once normal i sed, and tabulated with the related Fermi functions. The average and median energies are calculated. (Author)

  4. Copper(II) 12-metallacrown-4 complexes of alpha-, beta- and gamma-aminohydroxamic acids: a comparative thermodynamic study in aqueous solution.

    Science.gov (United States)

    Tegoni, Matteo; Remelli, Maurizio; Bacco, Dimitri; Marchiò, Luciano; Dallavalle, Francesco

    2008-05-28

    A complete thermodynamic study of the protonation and Cu(II) complex formation equilibria of a series of alpha- and beta-aminohydroxamic acids in aqueous solution was performed. The thermodynamic parameters obtained for the protonation of glycine-, (S)-alpha-alanine-, (R,S)-valine-, (S)-leucine-, beta-alanine- and (R)-aspartic-beta-hydroxamic acids were compared with those previously reported for gamma-amino- and (S)-glutamic-gamma-hydroxamic acids. The enthalpy/entropy parameters calculated for the protonation microequilibria of these three types of ligands are in very good agreement with the literature values for simple amines and hydroxamic acids. The pentanuclear complexes [Cu5L4H(-4)]2+ contain the ligands acting as (NH2,N-)-(O,O-) bridging bis-chelating and correspond to 12-metallacrown-4 (12-MC-4) which are formed by self-assembly between pH 4 and 6 with alpha-aminohydroxamates (HL), while those with beta- and gamma-derivatives exist in a wider pH range (4-11). The stability order of these metallomacrocycles is beta- > alpha- > gamma-aminohydroxamates. The formation of 12-MC-4 with alpha-aminohydroxamates is entropy-driven, and that with beta-derivatives is enthalpy-driven, while with gamma-GABAhydroxamate both effects occur. These results are interpreted on the basis of specific enthalpies or entropy contributions related to chelate ring dimensions, charge neutralization and solvation-desolvation effects. The enthalpy/entropy parameters of 12-MC-4 with alpha-aminohydroxamic acids considered are also dependent on the optical purity of the ligands. Actually, that with (R,S)-valinehydroxamic acid presents an higher entropy and a lower enthalpy value than those of enantiopure ligands, although the corresponding stabilities are almost equivalent. Moreover, DFT calculations are in agreement with a more exothermic enthalpy found for metallacrowns with enantiomerically pure ligands.

  5. Effect of metal nanoparticles on energy spectra and optical properties of peripheral light-harvesting LH2 complexes from photosynthetic bacteria

    International Nuclear Information System (INIS)

    Goliney, I.Yu.; Sugakov, V.I.; Valkunas, L.; Vertsimakha, G.V.

    2012-01-01

    Highlights: ► Excitons of light-harvesting complexes (LH2) hybridize with plasmon modes. ► Light absorption of LH2 is enhanced by a metal nanoparticle. ► Using nanoshells allows reaching resonance between molecular and plasmons. ► Metal nanoparticles introduce additional channel of excitation decay. ► Light-harvesting may gain from the proper positioning of nanoshells. -- Abstract: The paper explores the theoretical possibility of affecting optical spectra and the quantum yield of the energy transfer in the peripheral light-harvesting complexes (LH2) from photosynthetic bacteria by placing a metal nanoparticle or a nanoshell nearby. An increased probability of the excitonic transition in the LH2 arises due to the borrowing of the oscillator strength from surface plasmons of the metal particle or the nanoshell. While both absorption and quenching of the excitations increase in the vicinity to a metal nanoparticle, having opposite effects, the total yield of the excitation transfer to reaction centers is shown to grow in the certain range of parameters.

  6. Effect of metal nanoparticles on energy spectra and optical properties of peripheral light-harvesting LH2 complexes from photosynthetic bacteria

    Energy Technology Data Exchange (ETDEWEB)

    Goliney, I.Yu., E-mail: igoliney@kinr.kiev.ua [Institute for Nuclear Research, National Academy of Science of Ukraine, 47 Nauki pr., 03680 Kyiv (Ukraine); Sugakov, V.I. [Institute for Nuclear Research, National Academy of Science of Ukraine, 47 Nauki pr., 03680 Kyiv (Ukraine); Valkunas, L. [Center for Physical Sciences and Technology, Savanoriu Ave. 231, 02300 Vilnius (Lithuania); Department of Theoretical Physics, Vilnius University, Sauletekio 9, Build. 3, 10222 Vilnius (Lithuania); Vertsimakha, G.V. [Institute for Nuclear Research, National Academy of Science of Ukraine, 47 Nauki pr., 03680 Kyiv (Ukraine)

    2012-08-24

    Highlights: Black-Right-Pointing-Pointer Excitons of light-harvesting complexes (LH2) hybridize with plasmon modes. Black-Right-Pointing-Pointer Light absorption of LH2 is enhanced by a metal nanoparticle. Black-Right-Pointing-Pointer Using nanoshells allows reaching resonance between molecular and plasmons. Black-Right-Pointing-Pointer Metal nanoparticles introduce additional channel of excitation decay. Black-Right-Pointing-Pointer Light-harvesting may gain from the proper positioning of nanoshells. -- Abstract: The paper explores the theoretical possibility of affecting optical spectra and the quantum yield of the energy transfer in the peripheral light-harvesting complexes (LH2) from photosynthetic bacteria by placing a metal nanoparticle or a nanoshell nearby. An increased probability of the excitonic transition in the LH2 arises due to the borrowing of the oscillator strength from surface plasmons of the metal particle or the nanoshell. While both absorption and quenching of the excitations increase in the vicinity to a metal nanoparticle, having opposite effects, the total yield of the excitation transfer to reaction centers is shown to grow in the certain range of parameters.

  7. Chemometric and multivariate statistical analysis of time-of-flight secondary ion mass spectrometry spectra from complex Cu-Fe sulfides.

    Science.gov (United States)

    Kalegowda, Yogesh; Harmer, Sarah L

    2012-03-20

    Time-of-flight secondary ion mass spectrometry (TOF-SIMS) spectra of mineral samples are complex, comprised of large mass ranges and many peaks. Consequently, characterization and classification analysis of these systems is challenging. In this study, different chemometric and statistical data evaluation methods, based on monolayer sensitive TOF-SIMS data, have been tested for the characterization and classification of copper-iron sulfide minerals (chalcopyrite, chalcocite, bornite, and pyrite) at different flotation pulp conditions (feed, conditioned feed, and Eh modified). The complex mass spectral data sets were analyzed using the following chemometric and statistical techniques: principal component analysis (PCA); principal component-discriminant functional analysis (PC-DFA); soft independent modeling of class analogy (SIMCA); and k-Nearest Neighbor (k-NN) classification. PCA was found to be an important first step in multivariate analysis, providing insight into both the relative grouping of samples and the elemental/molecular basis for those groupings. For samples exposed to oxidative conditions (at Eh ~430 mV), each technique (PCA, PC-DFA, SIMCA, and k-NN) was found to produce excellent classification. For samples at reductive conditions (at Eh ~ -200 mV SHE), k-NN and SIMCA produced the most accurate classification. Phase identification of particles that contain the same elements but a different crystal structure in a mixed multimetal mineral system has been achieved.

  8. Simulating signatures of two-dimensional electronic spectra of the Fenna-Matthews-Olson complex: By using a numerical path integral

    International Nuclear Information System (INIS)

    Liang, Xian-Ting

    2014-01-01

    A framework for simulating electronic spectra from photon-echo experiments is constructed by using a numerical path integral technique. This method is non-Markovian and nonperturbative and, more importantly, is not limited by a fixed form of the spectral density functions of the environment. Next, a two-dimensional (2D) third-order electronic spectrum of a dimer system is simulated. The spectrum is in agreement with the experimental and theoretical results previously reported [for example, M. Khalil, N. Demirdöven, and A. Tokmakoff, Phys. Rev. Lett. 90, 047401 (2003)]. Finally, a 2D third-order electronic spectrum of the Fenna-Matthews-Olson (FMO) complex is simulated by using the Debye, Ohmic, and Adolphs and Renger spectral density functions. It is shown that this method can clearly produce the spectral signatures of the FMO complex by using only the Adolphs and Renger spectral density function. Plots of the evolution of the diagonal and cross-peaks show that they are oscillating with the population time

  9. Synthesis, analysis and radiolysis of the cobalt III 8 hydroxyquinolinate complex

    International Nuclear Information System (INIS)

    Mestnik, S.A.C.; Silva, C.P.G. da.

    1981-11-01

    The cobalt III 8-hidroxyquinolinate complex was syntetized from a solution of cobalt II. The compound was analysed by IR absorption spectroscopy, elemental analysis and by the determination of number of ligands. The radiolytic degradation was verified by spectrophotometry after submitting samples of 10 - 3 M complex in ethanolic solution to different doses of gamma radiation from a 60 Co source. The change of maximum absorbance of the complex with different doses of gamma radiation and its UV-VIS absorption spectra are presented. The complex in the solid state was also irradiated with 6,9 Mrad of gamma radiation but it didn't present degradation. (Author) [pt

  10. Coordinate expression of activating Fc gamma receptors I and III and inhibiting Fc gamma receptor type II in the determination of joint inflammation and cartilage destruction during immune complex-mediated arthritis.

    NARCIS (Netherlands)

    Nabbe, K.C.A.M.; Blom, A.B.; Holthuysen, A.E.M.; Boross, P.; Roth, J.; Verbeek, S.; Lent, P.L.E.M. van; Berg, W.B. van den

    2003-01-01

    OBJECTIVE: To study the role of the activating Fc gamma receptor types I and III (Fc gamma RI and Fc gamma RIII, respectively) and the inhibiting Fc gamma receptor II (Fc gamma RII) in inflammation and in various aspects of cartilage destruction during arthritis that is solely induced by immune

  11. Complexes prepared from protein A and human serum, IgG, or Fc gamma fragments: characterization by immunochemical analysis of ultracentrifugation fractions and studies on their interconversion.

    Science.gov (United States)

    Langone, J J; Das, C; Mainwaring, R; Shearer, W T

    1985-01-01

    Protein A of Staphylococcus aureus is an Fc receptor for IgG that has been used as a therapeutic reagent to treat cancer in humans and experimental animals. We used ultracentrifugation combined with analysis of isolated fractions by radioimmunoprecipitation and competitive radioimmunoassay with chicken antibodies that bind free protein A or protein A in complexes but do bind free immunoglobulin reagents to localize and characterize the types of complexes formed with different molar ratios of 125I-protein A and human 131I-IgG alone or in serum, and 131I-Fc gamma fragments. This approach offers a distinct advantage over direct counting of radioactivity in the fractions because resolution of complexes and free reagents is much improved. With excess 131I-IgG or 131I-Fc, all the 125I-protein A is present only in complexes that contained 4 molecules of immunoglobulin reagent and 2 molecules of protein A (4:2 complexes), whereas with excess 125I-protein A the stoichiometry of the complexes was 1:1. We have also shown the preformed 4:2 and 1:1 complexes will interconvert in the presence of added excess protein A or IgG, respectively, and that fresh IgG will exchange with IgG or Fc gamma in preformed complexes. Because protein A has been found to elute from an immobilized reagent used in serotherapy of human cancer and is present in a large excess of IgG, the 4:2 complexes may play an active role in the tumoricidal or toxic reactions observed.

  12. Antagonistic properties of a natural product-Bicuculline with the gamma-aminobutyric acid receptor: studied through electrostatic potential mapping, electronic and vibrational spectra using ab initio and density functional theory.

    Science.gov (United States)

    Srivastava, Anubha; Tandon, Poonam; Jain, Sudha; Asthana, B P

    2011-12-15

    (+)-Bicuculline (hereinafter referred to as bicuculline), a phthalide isoquinoline alkaloid is of current interest as an antagonist of gamma-aminobutyric acid (GABA). Its inhibitor properties have been studied through molecular electrostatic potential (MEP) mapping of this molecule and GABA receptor. The hot site on the potential surface of bicuculline, which is also isosteric with GABA receptor, has been used to interpret the inhibitor property. A systematic quantum chemical study of the possible conformations, their relative stabilities, FT-Raman, FT-IR and UV-vis spectroscopic analysis of bicuculline has been reported. The optimized geometries, wavenumber and intensity of the vibrational bands of all the conformers of bicuculline have been calculated using ab initio Hartree-Fock (HF) and density functional theory (DFT) employing B3LYP functional and 6-311G(d,p) basis set. Mulliken atomic charges, HOMO-LUMO gap ΔE, ionization potential, dipole moments and total energy have also been obtained for the optimized geometries of both the molecules. TD-DFT method is used to calculate the electronic absorption parameters in gas phase as well as in solvent environment using integral equation formalism-polarizable continuum model (IEF-PCM) employing 6-31G basis set and the results thus obtained are compared with the UV absorption spectra. The combination of experimental and calculated results provides an insight into the structural and vibrational spectroscopic properties of bicuculline. Copyright © 2011 Elsevier B.V. All rights reserved.

  13. Implication of the detection of very hard spectra from the TeV blazar Mrk 501

    Energy Technology Data Exchange (ETDEWEB)

    Shukla, Amit; Hughes, Gareth; Biland, Adrian [ETH Zurich, Institute for Particle Physics (Switzerland); Mannheim, Karl; Dorner, Daniela [Institute for Theoretical Physics and Astrophysics, Universitaet Wuerzburg (Germany); Chitnis, Varsha R. [Department of High Energy Physics, Tata Institute of Fundamental Research, Mumbai (India); Roy, Jayashree; Acharya, Bannanje Sripathi [Center for Excellence in Basic Sciences, UM-DAE Mumbai (India)

    2016-07-01

    The emission from active galactic nuclei ranges from radio to TeV energies and shows high variability. The origin of the high energy emission is highly debated. The observed emission could be due to a complex superposition of emission from multiple zones. New evidence of the detection of very hard intrinsic gamma-ray spectra obtained from Fermi-LAT observations have challenged the theories about origin of VHE gamma-rays. We have used the 7 years of Fermi-LAT data to search for time intervals with unusually hard spectra from the nearby TeV blazar Mrk 501. In the presentation, we discuss a few possible explanations for the origin of these hard spectra within a leptonic scenario.

  14. Comprehensive Metabolite Identification Strategy Using Multiple Two-Dimensional NMR Spectra of a Complex Mixture Implemented in the COLMARm Web Server

    Energy Technology Data Exchange (ETDEWEB)

    Bingol, Kerem [Environmental; Li, Da-Wei; Zhang, Bo; Brüschweiler, Rafael

    2016-12-06

    Identification of metabolites in complex mixtures represents a key step in metabolomics. A new strategy is introduced, which is implemented in a new public web server, COLMARm, that permits the co-analysis of up to three 2D NMR spectra, namely 13C-1H HSQC, 1H-1H TOCSY, and 13C-1H HSQC-TOCSY for the comprehensive, accurate, and efficient performance of this task. The highly versatile and interactive nature of COLMARm permits its application to a wide range of metabolomics samples independent of the magnetic field. Database query is performed using the HSQC spectrum and the top metabolite hits are then validated against the TOCSY-type experiment(s) by superimposing the expected cross-peaks on the mixture spectrum. In this way the user can directly accept or reject candidate metabolites by taking advantage of the complementary spectral information offered by these experiments and their different sensitivities. The power of COLMARm is demonstrated for a human serum sample uncovering the existence of 14 metabolites that hitherto were not identified by NMR.

  15. DNA damage response and role of shelterin complex in human peripheral blood mononuclear cells exposed to gamma radiation

    International Nuclear Information System (INIS)

    Saini, Divyalakshmi; Das, Birajalaxmi

    2013-01-01

    Telomeres are the DNA protein structures that cap the ends of linear DNA. It consists of short repetitive DNA sequences (TTAGGG)n and specialized telomere binding proteins. There are six telomeric proteins (TRF1, TRF2, TIN2, TERF2, PTOP and POT1) called as shelterin complex/telosome which maintains telomere integrity. The function of this 'telosome' is to protect the natural ends of the chromosomes from being recognized as artificial DNA breaks, thereby preventing chromosome end-to-end fusions. DNA Damage Response (DDR) induced by radiation and its interaction with telomeric protein complex is poorly understood in human PBMCs at G 0 stage. Alterations in either telomeric DNA or telomere binding proteins can impair the function of the telosome, which may lead to senescence or apoptosis. Ionizing radiation which induces a plethora of DNA lesions in human cell may also alter the expression of telomere associated proteins. In the present study, we have made an attempt to study the DNA damage response of telomere proteins in human peripheral blood mononuclear cells exposed to gamma radiation. Venous blood samples were collected from eight random healthy volunteers and PBMCs were separated. Dose response as well as time point kinetics study was carried out at transcription as well as protein level. PBMCs were irradiated at various doses between 10 cGy to 2.0 Gy at a dose rate of 1.0 Gy/min. Total RNA was isolated for gene expression analysis at 0 hour and 4 hours respectively. cDNA was prepared and transcriptional pattern as studied using real time q-PCR where Taqman probes were used. Time point kinetics of transcriptional pattern of TRF1, TRF2, TIN2, TERF2, PTOP and POT1 was carried out at 0 min, 15 min, 30 min, 60 min, and 120 min for two different doses (1.0 Gy and 2.0 Gy). Dose response and time point kinetics of TRF2 was studied at similar doses using confocal microscopy. Our results revealed that at 2.0 Gy there was a two fold increase at the level of transcription

  16. Statistical analysis of uncertainties of gamma-peak identification and area calculation in particulate air-filter environment radionuclide measurements using the results of a Comprehensive Nuclear-Test-Ban Treaty Organization (CTBTO) organized intercomparison, Part I: Assessment of reliability and uncertainties of isotope detection and energy precision using artificial spiked test spectra, Part II: Assessment of the true type I error rate and the quality of peak area estimators in relation to type II errors using large numbers of natural spectra

    International Nuclear Information System (INIS)

    Zhang, W.; Zaehringer, M.; Ungar, K.; Hoffman, I.

    2008-01-01

    In this paper, the uncertainties of gamma-ray small peak analysis have been examined. As the intensity of a gamma-ray peak approaches its detection decision limit, derived parameters such as centroid channel energy, peak area, peak area uncertainty, baseline determination, and peak significance are statistically sensitive. The intercomparison exercise organized by the CTBTO provided an excellent opportunity for this to be studied. Near background levels, the false-positive and false-negative peak identification frequencies in artificial test spectra have been compared to statistically predictable limiting values. In addition, naturally occurring radon progeny were used to compare observed variance against nominal uncertainties. The results infer that the applied fit algorithms do not always represent the best estimator. Understanding the statistically predicted peak-finding limit is important for data evaluation and analysis assessment. Furthermore, these results are useful to optimize analytical procedures to achieve the best results

  17. Preparation and infrared spectra of the Schiff base solid complexes [UO2(sal-O-phdn)(H2O)] and [UO2(sal-O-phdn) (Et3N)] (sal-O-phdn=n, n'-o-phenylenebissalicylideniminato)

    International Nuclear Information System (INIS)

    Sadeek, S.A.; Teleb, S.M.; Al-Kority, A.M.

    1993-01-01

    In the present communication, we report the preparation of the related two new complexes, [UO 2 (sal-o-phdn)(H 2 O)] and LUO 2 (sal-o-phdn)(Et 3 N)], where sal-o-phdn=N, N'-o-phenylenebis (salicylideneiminato); here U VI is seven-coordinate. The infrared spectra of these two complexes are recorded and assigned. (author). 10 refs., 1 tab

  18. Cosmical sources of gamma radiation

    Energy Technology Data Exchange (ETDEWEB)

    Kuchowicz, B [Warsaw Univ. (Poland)

    1974-01-01

    A brief historical outline of the X-ray and ..gamma..-ray astronomies is given first, then a summary of the recent status of X-ray astronomy follows. Further chapters include information on ..gamma..-ray sources in the solar system, in our Galaxy, and beyond it. In discussing linear gamma spectra attention is paid to the possibility of studying explosive nucleo-synthesis by observation of gamma lines from supernova remnants, etc. Questions of the isotropic gamma background are discussed at the end of the survey.

  19. Determining initial enrichment, burnup, and cooling time of pressurized-water-reactor spent fuel assemblies by analyzing passive gamma spectra measured at the Clab interim-fuel storage facility in Sweden

    Energy Technology Data Exchange (ETDEWEB)

    Favalli, A., E-mail: afavalli@lanl.gov [Los Alamos National Laboratory, Los Alamos, NM (United States); Vo, D. [Los Alamos National Laboratory, Los Alamos, NM (United States); Grogan, B. [Oak Ridge National Laboratory, Oak Ridge, TN (United States); Jansson, P. [Uppsala University, Uppsala (Sweden); Liljenfeldt, H. [Oak Ridge National Laboratory, Oak Ridge, TN (United States); Mozin, V. [Lawrence Livermore National Laboratory, Livermore, CA (United States); Schwalbach, P. [European Commission, DG Energy, Euratom Safeguards Luxemburg, Luxemburg (Luxembourg); Sjöland, A. [Swedish Nuclear Fuel and Waste Management Company, Stockholm (Sweden); Tobin, S.J.; Trellue, H. [Los Alamos National Laboratory, Los Alamos, NM (United States); Vaccaro, S. [European Commission, DG Energy, Euratom Safeguards Luxemburg, Luxemburg (Luxembourg)

    2016-06-01

    The purpose of the Next Generation Safeguards Initiative (NGSI)–Spent Fuel (SF) project is to strengthen the technical toolkit of safeguards inspectors and/or other interested parties. The NGSI–SF team is working to achieve the following technical goals more easily and efficiently than in the past using nondestructive assay measurements of spent fuel assemblies: (1) verify the initial enrichment, burnup, and cooling time of facility declaration; (2) detect the diversion or replacement of pins; (3) estimate the plutonium mass [which is also a function of the variables in (1)]; (4) estimate the decay heat; and (5) determine the reactivity of spent fuel assemblies. Since August 2013, a set of measurement campaigns has been conducted at the Central Interim Storage Facility for Spent Nuclear Fuel (Clab), in collaboration with Swedish Nuclear Fuel and Waste Management Company (SKB). One purpose of the measurement campaigns was to acquire passive gamma spectra with high-purity germanium and lanthanum bromide scintillation detectors from Pressurized Water Reactor and Boiling Water Reactor spent fuel assemblies. The absolute {sup 137}Cs count rate and the {sup 154}Eu/{sup 137}Cs, {sup 134}Cs/{sup 137}Cs, {sup 106}Ru/{sup 137}Cs, and {sup 144}Ce/{sup 137}Cs isotopic ratios were extracted; these values were used to construct corresponding model functions (which describe each measured quantity’s behavior over various combinations of burnup, cooling time, and initial enrichment) and then were used to determine those same quantities in each measured spent fuel assembly. The results obtained in comparison with the operator declared values, as well as the methodology developed, are discussed in detail in the paper.

  20. Determining initial enrichment, burnup, and cooling time of pressurized-water-reactor spent fuel assemblies by analyzing passive gamma spectra measured at the Clab interim-fuel storage facility in Sweden

    Science.gov (United States)

    Favalli, A.; Vo, D.; Grogan, B.; Jansson, P.; Liljenfeldt, H.; Mozin, V.; Schwalbach, P.; Sjöland, A.; Tobin, S. J.; Trellue, H.; Vaccaro, S.

    2016-06-01

    The purpose of the Next Generation Safeguards Initiative (NGSI)-Spent Fuel (SF) project is to strengthen the technical toolkit of safeguards inspectors and/or other interested parties. The NGSI-SF team is working to achieve the following technical goals more easily and efficiently than in the past using nondestructive assay measurements of spent fuel assemblies: (1) verify the initial enrichment, burnup, and cooling time of facility declaration; (2) detect the diversion or replacement of pins; (3) estimate the plutonium mass [which is also a function of the variables in (1)]; (4) estimate the decay heat; and (5) determine the reactivity of spent fuel assemblies. Since August 2013, a set of measurement campaigns has been conducted at the Central Interim Storage Facility for Spent Nuclear Fuel (Clab), in collaboration with Swedish Nuclear Fuel and Waste Management Company (SKB). One purpose of the measurement campaigns was to acquire passive gamma spectra with high-purity germanium and lanthanum bromide scintillation detectors from Pressurized Water Reactor and Boiling Water Reactor spent fuel assemblies. The absolute 137Cs count rate and the 154Eu/137Cs, 134Cs/137Cs, 106Ru/137Cs, and 144Ce/137Cs isotopic ratios were extracted; these values were used to construct corresponding model functions (which describe each measured quantity's behavior over various combinations of burnup, cooling time, and initial enrichment) and then were used to determine those same quantities in each measured spent fuel assembly. The results obtained in comparison with the operator declared values, as well as the methodology developed, are discussed in detail in the paper.

  1. Influence of protonation or alkylation of the phosphate group on the e. s. r. spectra and on the rate of phosphate elimination from 2-methoxyethyl phosphate 2-yl radicals. [. gamma. rays

    Energy Technology Data Exchange (ETDEWEB)

    Behrens, G; Koltzenburg, G; Ritter, A; Schulte-Frohlinde, D [Max-Planck-Institut fuer Kohlenforschung, Muelheim an der Ruhr (Germany, F.R.). Inst. fuer Strahlenchemie

    1978-02-01

    The e.s.r. spectra of l-yl, 2-yl and 3'-yl methoxethyl phosphate radicals derived from CH/sub 3/OCH/sub 2/CH/sub 2/-OPO/sub 3/H/sub 2/ by hydrogen abstraction have been measured in aqueous solutions and the hyperfine constants determined. The coupling constants vary strongly with protonation or alkylation of the phosphate group. The 2-yl radicals eliminate phosphate. The rate-constants for the elimination (ksub(e)) have been estimated by e.s.r. measurements and by product studies as a function of pH using /sup 60/Co ..gamma..-radiolysis. The ksub(e) values vary from approximately 0.3 s/sup -1/ for the CH/sub 3/OCHCH/sub 2/OPO/sub 3//sup - -/ radical and approximately 10/sup 3/s/sup -1/ for CH/sub 3/OCHCH/sub 2/OPO/sub 3/H/sup -/, to approximately 3 x 10/sup 6/s/sup -1/ for CH/sub 3/OCHCH/sub 2/OPO/sub 3/H/sub 2/. Alkylation of the phosphate group increased the elimination rate-constant to a similar extent as protonation. The results support a recent mechanism which described the OH-radical-induced single-strand breaks of DNA in aqueous solution starting from the C-4' radical of the sugar moiety. It is further concluded the C-4' radical of DNA eliminates the 3'-phosphate group faster than the 5'-phosphate group.

  2. Cyclodextrin--piroxicam inclusion complexes: analyses by mass spectrometry and molecular modelling

    Science.gov (United States)

    Gallagher, Richard T.; Ball, Christopher P.; Gatehouse, Deborah R.; Gates, Paul J.; Lobell, Mario; Derrick, Peter J.

    1997-11-01

    Mass spectrometry has been used to investigate the natures of non-covalent complexes formed between the anti-inflammatory drug piroxicam and [alpha]-, [beta]- and [gamma]-cyclodextrins. Energies of these complexes have been calculated by means of molecular modelling. There is a correlation between peak intensities in the mass spectra and the calculated energies.

  3. Intercomparison of gamma ray analysis software packages

    International Nuclear Information System (INIS)

    1998-04-01

    The IAEA undertook an intercomparison exercise to review available software for gamma ray spectra analysis. This document describes the methods used in the intercomparison exercise, characterizes the software packages reviewed and presents the results obtained. Only direct results are given without any recommendation for a particular software or method for gamma ray spectra analysis

  4. Complexes of gamma-tubulin with nonreceptor protein tyrosine kinases Src and Fyn in differentiating P19 embryonal carcinoma cells

    Czech Academy of Sciences Publication Activity Database

    Kukharskyy, Vitaliy; Sulimenko, Vadym; Macůrek, Libor; Sulimenko, Tetyana; Dráberová, Eduarda; Dráber, Pavel

    2004-01-01

    Roč. 298, - (2004), s. 218-228 ISSN 0014-4827 R&D Projects: GA AV ČR IAA5052004; GA ČR GA304/00/0553; GA ČR GA304/04/1273; GA MŠk LN00A026 Keywords : gamma-tubulin * P19 cells * Fyn and Src kinase Subject RIV: EB - Genetics ; Molecular Biology Impact factor: 4.007, year: 2004

  5. Atomistic absorption spectra and non-adiabatic dynamics of the LH2 complex with a GPU-accelerated ab initio exciton model

    Science.gov (United States)

    Glowacki, David

    Recently, we outlined an efficient multi-tiered parallel excitonic framework that utilizes time dependent density functional theory (TDDFT) to calculate ground/excited state energies and gradients of large supramolecular complexes in atomistic detail. In this paper, we apply our ab initioexciton framework to the 27 coupled bacteriocholorophyll-a chromophores which make up the LH2 complex, using it to compute linear absorption spectra and short-time, on-the-fly nonadiabatic surface-hopping (SH) dynamics of electronically excited LH2. Our ab initio exciton model includes two key parameters whose values are determined by fitting to experiment: d, which is added to the diagonal elements, corrects for the error in TDDFT vertical excitation energies on a single chromophore; and e, which occurs on the off-diagonal matrix elements, describes the average dielectric screening of the inter-chromophore transition-dipole coupling. Using snapshots obtained from equilibrium molecular dynamics simulations (MD) of LH2, best-fit values of both d and e were obtained by fitting to the thermally broadened experimental absorption spectrum within the Frank-Condon approximation, providing a linear absorption spectrum that agrees reasonably well with the experimental observations. We follow the nonadiabatic dynamics using surface hopping to construct time-resolved visualizations of the EET dynamics in the sub-picosecond regime following photoexcitation. This provides some qualitative insight into the excitonic energy transfer (EET) that results from atomically resolved vibrational fluctuations of the chromophores. The dynamical picture that emerges is one of rapidly fluctuating eigenstates that are delocalized over multiple chromophores and undergo frequent crossing on a femtosecond timescale as a result of the underlying chromophore vibrational dynamics. The eigenstate fluctuations arise from disorder in both the diagonal chromophore site energies and the off-diagonal inter

  6. Gamma-rays from deep inelastic collisions

    International Nuclear Information System (INIS)

    Stephens, F.S.

    1981-01-01

    My objective in this talk is to consider the question: 'What can be learned about deep inelastic collisions (DIC) from studying the associated gamma-rays'. First, I discuss the origin and nature of the gamma-rays from DIC, then the kinds of information gamma-ray spectra contain, and finally come to the combination of these two subjects. (orig./HSI)

  7. Electronic Absorption and MCD Spectra for Pd(AuPPh(3))(8)(2+), Pt(AuPPh(3))(8)(2+), and Related Platinum-Centered Gold Cluster Complexes.

    Science.gov (United States)

    Adrowski, Michael J.; Mason, W. Roy

    1997-03-26

    Electronic absorption and 7.0 T magnetic circular dichroism (MCD) spectra in the UV-vis region, 1.6 to approximately 4.0 &mgr;m(-)(1) (1 &mgr;m(-)(1) = 10(4) cm(-)(1)) are reported for [Pd(AuPPh(3))(8)](NO(3))(2) and [Pt(AuPPh(3))(8)](NO(3))(2) in acetonitrile solutions at room temperature. The MCD spectra are better resolved than the absorption spectra and consist of both A and B terms. The spectra are interpreted in terms of D(4)(d)() skeletal geometry and MO's that are approximated by 5s and 6s orbitals for Pd and Pt/Au atoms, respectively. The lowest energy excited configurations and states are attributed to intraframework (IF) Au(8)(2+) transitions. Evidence is also presented for Pt 5d --> Au 6s transitions in the MCD spectra for Pt(AuPPh(3))(8)(2+). Acetonitrile solution absorption and MCD spectra for the related Pt-centered cluster complexes [Pt(CO)(AuPPh(3))(8)](NO(3))(2), [Pt(AuP(p-tolyl)(3))(8)](NO(3))(2), [Pt(CuCl)(AuPPh(3))(8)](NO(3))(2), [Pt(AgNO(3))(AuPPh(3))(8)](NO(3))(2), [Pt(Hg)(2)(AuPPh(3))(8)](NO(3))(2), [Pt(HgCl)(2)(AuPPh(3))(8)](BF(4))(2), and [Pt(HgNO(3))(2)(AuPPh(3))(8)](BF(4))(2) are also reported and interpreted within the context of the model developed for the M(AuPPh(3))(8)(2+) complexes.

  8. Study on Public Exposure and External Radiation Level at Gamma Green House and around MINT Dengkil Complex Boarder

    International Nuclear Information System (INIS)

    Faizal Azrin Abdul Razalim; Ismail Sulaiman; Khairuddin Mohamad Kontol; Ahmad Bazlie Abdul Kadir; Noor Fadilla Ismail; Hassan Sham; Ahmad Zainuri Mohd Dzomir

    2014-01-01

    This paper will discussing on the measurement of external radiation and the dose level which is acceptable to the public around the Gamma Green House and the border between Malaysian Nuclear Agency and housing project developed by Mah Sing Group. This research is made to verify the level of safety, especially for civilians residing in this area and to ensure compliance with the limit that has been set by the authorities, AELB (BSS/2010). Measurement method used in this research by using survey meter, TLD and OSL. (author)

  9. Complexes of membrane-associated gamma-tubulin with Fyn kinase and phosphoinositide 3-kinase in differentiating cells

    Czech Academy of Sciences Publication Activity Database

    Sulimenko, Vadym; Macůrek, Libor; Dráberová, Eduarda; Richterová, Věra; Sulimenko, Tetyana; Dráberová, Lubica; Marková, Vladimíra; Dráber, Pavel

    2009-01-01

    Roč. 276, č. 1 (2009), s. 253-253 ISSN 1742-464X. [FEBS Congress /34/. 04.07.2009-09.07.2009, Praha] R&D Projects: GA MŠk 1M0506; GA MŠk LC545; GA ČR GA204/05/2375; GA ČR GA304/04/1273 Institutional research plan: CEZ:AV0Z50520514 Keywords : detergent -resistant membrane * Fyn * PI3K gamma-tubulin Subject RIV: EB - Genetics ; Molecular Biology

  10. Deposited power in a complex device by gamma radiation of test reactors; experiments and calculations carried out at SILOE

    International Nuclear Information System (INIS)

    Petitcolas, H.; Besson, A.; Bevilacqua, A.; Cosoli, G.

    1984-09-01

    Eight samples, which represent different materials used in testing reactors, were irradiated in the device ''CYRANO'' placed in the water reflector at different distances from the reactor core. The power dissipated in the device was measured by the ''CYRANO'' equipment itself, whereas the calorimeter juxtaposed served to monitor the gamma flux. Parallel to each experiment, the power deposited in the samples, the device materials and the calorimeter was calculated by the code MERCURE 4. The measured values were compared with the calculated ones, both in relative and in absolute values, for each sample and for each distance in the reflector. The comparison shows very good agreement [fr

  11. A new processing technique for airborne gamma-ray data

    DEFF Research Database (Denmark)

    Hovgaard, Jens

    1997-01-01

    The mathematical-statistical background for at new technique for processing gamma-ray spectra is presented. The technique - Noise Adjusted Singular Value Decomposition - decomposes at set of gamma-ray spectra into a few basic spectra - the spectral components. The spectral components can be proce...

  12. Influence of oxygen, partial vacuum, temperature and relative humidity combined with gamma radiation on the mosquito, culex pipiens complex L

    International Nuclear Information System (INIS)

    Abdel-rahman, A.M.; Wakid, A.M.; Hafez, M.; Hafez, M.K.

    1992-01-01

    Treatment of pupae of culex pipiens L. With gamma radiation only (60 Gy) caused 47-57.83% decrease in adult emergence. Treatment with oxygen or partial vacuum (0.1 torr) for one hour caused insignificant decrease in adult emergence. This decrease became significant when the exposure time was prolonged to two hours. Exposure of pupae to 10 degree C for one or two hours or to 31% R.H. for 3 hours caused highly significant decrease in adult emergence. When radiation was combined with any of the factors applied, a pronounced decrease in adult emergence was recorded, especially when combined with 31% R.H. for 3 hours. In all treatments, females lived longer than males. Exposure of pupae to oxygen gas or 31% R.H. Only, prolonged the life span of the produced adults, while exposure to radiation, partial vacuum or low temperature only shortened it. This effect was also observed when gamma radiation was combined with these two factors. 4 fig.,1 tab

  13. An Overview of the XGAM Code and Related Software for Gamma-ray Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Younes, W. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2014-11-13

    The XGAM spectrum-fitting code and associated software were developed specifically to analyze the complex gamma-ray spectra that can result from neutron-induced reactions. The XGAM code is designed to fit a spectrum over the entire available gamma-ray energy range as a single entity, in contrast to the more traditional piecewise approaches. This global-fit philosophy enforces background continuity as well as consistency between local and global behavior throughout the spectrum, and in a natural way. This report presents XGAM and the suite of programs built around it with an emphasis on how they fit into an overall analysis methodology for complex gamma-ray data. An application to the analysis of time-dependent delayed gamma-ray yields from 235U fission is shown in order to showcase the codes and how they interact.

  14. EPR structure of the gamma irradiated alanine spectrum

    International Nuclear Information System (INIS)

    Cabral P, A.; Jimenez D, H.; Urena N, F.; Galindo, S.; Bosch, P.

    1992-03-01

    In this study is shown that the broadened five-line EPR pattern of the gamma irradiated alanine possibly decomposes into a more complex pattern when the recorded spectrum is subject to an operation of deconvolution. The EPR powder spectra of gamma irradiated DL- and L-alanine with and without binders are analysed. In all recorded spectra, each observed line is resolved into an asymmetrical triplet when a Gaussian distribution of 8.2 gauss width is removed, by deconvolution, from the observed spectrum. On the other hand, from a simple fitting analysis carried out on the original data, one encounters that some calculated relations between characteristic parameters, such as intensity ratios, deviate consistently from assumed height ratios. Both, from deconvolution and fitting results, a different structure is suggested for the observed broadened five-line EPR pattern of γ-irradiated powder DL- and L-alanine. (Author)

  15. High Resolution X-ray Diffraction Dataset for Bacillus licheniformis Gamma Glutamyl Transpeptidase-acivicin complex: SUMO-Tag Renders High Expression and Solubility.

    Science.gov (United States)

    Kumari, Shobha; Pal, Ravi Kant; Gupta, Rani; Goel, Manisha

    2017-02-01

    Gamma glutamyl transpeptidase, (GGT) is a ubiquitous protein which plays a central role in glutathione metabolism and has myriad clinical implications. It has been shown to be a virulence factor for pathogenic bacteria, inhibition of which results in reduced colonization potential. However, existing inhibitors are effective but toxic and therefore search is on for novel inhibitors, which makes it imperative to understand the interactions of various inhibitors with the protein in substantial detail. High resolution structures of protein bound to different inhibitors can serve this purpose. Gamma glutamyl transpeptidase from Bacillus licheniformis is one of the model systems that have been used to understand the structure-function correlation of the protein. The structures of the native protein (PDB code 4OTT), of its complex with glutamate (PDB code 4OTU) and that of its precursor mimic (PDB code 4Y23) are available, although at moderate/low resolution. In the present study, we are reporting the preliminary analysis of, high resolution X-ray diffraction data collected for the co-crystals of B. licheniformis, Gamma glutamyl transpeptidase, with its inhibitor, Acivicin. Crystals belong to the orthorhombic space group P2 1 2 1 2 1 and diffract X-ray to 1.45 Å resolution. This is the highest resolution data reported for all GGT structures available till now. The use of SUMO fused expression system enhanced yield of the target protein in the soluble fraction, facilitating recovery of protein with high purity. The preliminary analysis of this data set shows clear density for the inhibitor, acivicin, in the protein active site.

  16. Applied gamma-ray spectrometry

    CERN Document Server

    Dams, R; Crouthamel, Carl E

    1970-01-01

    Applied Gamma-Ray Spectrometry covers real life application of the gamma-ray and the devices used in their experimental studies. This book is organized into 9 chapters, and starts with discussions of the various decay processes, the possible interaction mechanisms of gamma radiation with matter, and the intrinsic and extrinsic variables, which affect the observed gamma-ray and X-ray spectra. The subsequent chapters deal with the properties and fabrication of scintillation detectors, semiconductor detectors, and proportional gas counters. These chapters present some of the most widely utilized

  17. Beta-energy averaging and beta spectra

    International Nuclear Information System (INIS)

    Stamatelatos, M.G.; England, T.R.

    1976-07-01

    A simple yet highly accurate method for approximately calculating spectrum-averaged beta energies and beta spectra for radioactive nuclei is presented. This method should prove useful for users who wish to obtain accurate answers without complicated calculations of Fermi functions, complex gamma functions, and time-consuming numerical integrations as required by the more exact theoretical expressions. Therefore, this method should be a good time-saving alternative for investigators who need to make calculations involving large numbers of nuclei (e.g., fission products) as well as for occasional users interested in restricted number of nuclides. The average beta-energy values calculated by this method differ from those calculated by ''exact'' methods by no more than 1 percent for nuclides with atomic numbers in the 20 to 100 range and which emit betas of energies up to approximately 8 MeV. These include all fission products and the actinides. The beta-energy spectra calculated by the present method are also of the same quality

  18. Influence of chitosan and melanin-glucan complex onto gamma-exposure with low doses and acute stressful reaction

    International Nuclear Information System (INIS)

    Senyuk, O.F.; Tarasenko, P.D.; Pazukhin, Eh.M.; Gorovoj, L.F.; Varlamov, V.P.

    2004-01-01

    Possibilities of prevention and reduction of consequences of acute exposure on the background of immobilization stress with the help of chitosan preparations and of melanin - glucan complex of highest bazidiomicetes (fungi) were studied. Tested preparations were capable to protect hematological and immunological homeostasis of line BALB/c mice from stressful reaction provoked by acute exposure and two-hour immobilization. The most expressed normalizing and adapting effect had the mixture composed of chitosan and melanin-glucan complex

  19. Design and Performance of the GAMMA-400 Gamma-Ray Telescope for Dark Matter Searches

    Science.gov (United States)

    Galper, A. M.; Adriani, O.; Aptekar, R. L.; Arkhangelskaja, I. V.; Arkhangelskiy, A. I.; Boezio, M.; Bonvicini, V.; Boyarchuk, K. A.; Fradkin, M. I.; Gusakov, Yu V.; hide

    2012-01-01

    The GAMMA-400 gamma-ray telescope is designed to measure the fluxes of gamma-rays and cosmic-ray electrons (+) positrons, which can be produced by annihilation or decay of the dark matter particles, as well as to survey the celestial sphere in order to study point and extended sources of gamma-rays, measure energy spectra of Galactic and extragalactic diffuse gamma-ray emission, gamma-ray bursts, and gamma-ray emission from the Sun. GAMMA-400 covers the energy range from 100 MeV to 3000 GeV. Its angular resolution is approximately 0.01deg (E(sub gamma) greater than 100 GeV), the energy resolution approximately 1% (E(sub gamma) greater than 10 GeV), and the proton rejection factor approximately 10(exp 6). GAMMA-400 will be installed on the Russian space platform Navigator. The beginning of observations is planned for 2018.

  20. Analysis of subcomponents of the gamma-aminobutyric acid/benzodiazepine receptor macromolecular complex in mammalian central nervous system

    International Nuclear Information System (INIS)

    McCabe, R.T.

    1987-01-01

    Since the presence of endogenous gamma-aminobutyric acid (GABA) may affect benzodiazepine binding to tissue sections in autoradiographic studies, a protocol designed to check for this influence has been investigated. [ 3 H]Flunitrazepam (1 nM) was used to label benzodiazepine receptors for autoradiographic localization. Bicuculline was added to the incubation medium of an additional set of tissue sections to antagonize any potential effect of endogenous GABA. Binding in these sections was compared to that occurring in another set in which excess GABA was added to create further GABA enhancement. Binding was also compared to adjacent sections which were treated similarly but also preincubated in distilled-deionized water to burst the cells by osmotic shock and eliminate endogenous GABA, thereby preventing any effect on benzodiazepine binding. The results indicated that endogenous GABA is indeed present in the slide-mounted tissue sections and is affecting benzodiazepine receptor binding differentially in various regions of the brain depending on the density of GABAergic innervation. Scatchard analysis of saturation data demonstrated that the alteration in BZ binding due to GABA was a result of a change in the affinity rather than number of receptors present

  1. A novel tridentate Schiff base dioxo-molybdenum(VI) complex: synthesis, experimental and theoretical studies on its crystal structure, FTIR, UV-visible, ¹H NMR and ¹³C NMR spectra.

    Science.gov (United States)

    Saheb, Vahid; Sheikhshoaie, Iran; Stoeckli-Evans, Helen

    2012-09-01

    A new dioxo-molybdenum(VI) complex [MoO(2)(L)(H(2)O)] has been synthesized, using 5-methoxy 2-[(2-hydroxypropylimino)methyl]phenol as tridentate ONO donor Schiff base ligand (H(2)L) and MoO(2)(acac)(2). The yellow crystals of the compound are used for single-crystal X-ray analysis and measuring Fourier Transform Infrared (FTIR), UV-visible, (1)H NMR and (13)C NMR spectra. Electronic structure calculations at the B3LYP and PW91PW91 levels of theory are performed to optimize the molecular geometry and to calculate the UV-visible, FTIR, (1)H NMR and (13)C NMR spectra of the compound. Vibrational assignments and analysis of the fundamental modes of the compound are performed. Time-dependent density functional theory (TDDFT) method is used to calculate the electronic transitions of the complex. All theoretical methods can well reproduce the structure of the compound. The (1)H NMR shielding tensors computed at the B3LYP/DGDZVP level of theory is in agreement with experimental (1)H NMR spectra. However, the (13)C NMR shielding tensors computed at the B3LYP level, employing a combined basis set of DGDZVP for Mo and 6-31+G(2df,p) for other atoms, are in better agreement with experimental (13)C NMR spectra. The electronic transitions calculated at the B3LYP/DGDZVP level by using TD-DFT method is in accordance with the observed UV-visible spectrum of the compound. Copyright © 2012 Elsevier B.V. All rights reserved.

  2. Effects of gamma irradiation on the DNA-protein complex between the estrogen response element and the estrogen receptor

    Czech Academy of Sciences Publication Activity Database

    Štísová, Viktorie; Goffinont, S.; Maurizot, M. S.; Davídková, Marie

    2010-01-01

    Roč. 79, č. 8 (2010), s. 880-889 ISSN 0969-806X R&D Projects: GA MŠk 1P05OC085; GA MŠk OC09012 Institutional research plan: CEZ:AV0Z10480505 Keywords : DNA-protein complex * estrogen response element * estrogen receptor * ionizing radiation Subject RIV: BO - Biophysics Impact factor: 1.132, year: 2010

  3. Radar, geologic, airborne gamma ray and Landsat TM digital data integration for geological mapping of the Estrela granite complex (Para State)

    International Nuclear Information System (INIS)

    Cunha, Edson Ricardo Soares Pereira da

    2002-01-01

    This work is focused on the geotectonic context of the Carajas Mineral Province, Amazon Craton, which represents the most important Brazilian Mineral Province and hosts iron, cooper, gold, manganese and nickel deposits. At the end of Archean age, during the techno-metamorphic evolution, moderated alkaline granitoids were generated, such as, Estrela Granite Complex (EGC). This work has used digital integration products with the purpose of study the granite suite, its host rock, and the surrounded area. The digital integrated data were gamma-ray and geological data with satellite images (SAR-SAREX e TM-Landsat). The geophysics data, originally in 32 bits and grid format, were interpolated and converted to 8 bits images. The geological data (facies map) was digitalized and converted to a raster format. The remote sensing images were geometrically corrected to guarantee an accuracy on the geological mapping. On the data processing phase, SAR images were digital integrated with gamma-ray data, TM-Landsat image and the raster facies map. The IHS transformation was used as the technique to integrate the multi-source data. On the photogeological interpretation, SAR data were extremely important to permit the extraction of the main tectonic lineaments which occur on the following directions: +/- N45W, +/- N70W, +/- NS, +/- N20E, +/- N45E e +/- N75E. This procedure was done both in analogic and automatic form, being the automatic process more useful to complement information in the extracting process. Among the digital products generated, SAR/GAMA products (uranium, thorium and total count) were the ones that give the most important contribution. The interpretation of the SAR/GAMA's products added to the field campaign have allowed to map the limits of units that occur in the region and four facies of the Estrela Granite Complex were detected. The origin of the granite suite might be related to a magmatic differentiation or to distinct intrusion pulses. The use of the

  4. Prototype of an expert system to help nuclide identification in gamma spectrum analysis

    International Nuclear Information System (INIS)

    Jayanthi, Kasi Annapurna; Corcuera, Raquel Paviotti; Oliveira, Gina Maira B.

    1995-01-01

    This report describes the development and use of IDENT, prototype of an expert system that helps the researcher to identify radionuclides in gamma-ray spectroscopy. Normally the method adopted by the researcher is iterative, time consuming and becomes complicated in the analysis of large and complex gamma-ray spectra. The present expert system is based on the knowledge transmitted by expert and specialists in this area and the results show that it is helpful for researches who perform nuclide identification through gamma-ray spectroscopy. The gamma-ray spectrum of a material sample with about 140 peaks would take about a week or two be analysed by a specialist. The same task can be done in a few minutes using this expert system. (author). 14 refs., 2 figs

  5. Report of the Department of Energy, Office of Environmental Management, Gamma Spectrometry Data Validation Program

    International Nuclear Information System (INIS)

    Decker, K.; Sanderson, C.G.; Greenlaw, P.

    1996-11-01

    This report represents the results of analyses received on or before August 15, 1996 for the first annual Gamma Spectrometry Data Validation Program (May 1996) designed to assess the capability of DOE laboratories and DOE contractors in performing routine gamma spectra analyses. Data reduction of gamma spectra are normally performed with computer codes supplied by commercial manufacturers or are developed in house. Earlier evaluations of commercial codes gave spurious results for complex spectrum. A calibration spectrum, a background spectrum and three sample spectra of increasing complexity were included for each format. The calibration spectrum contained nuclides covering the energy range from 59.5 keV to 1836 keV. The first two samples contained fallout nuclides with halflives of over 30 days. Naturally occurring nuclides were also present. The third sample contained both short and long lived fission product nuclides. The participants were asked to report values and uncertainties as Becquerel per sample with no decay correction. Sixteen software packages were evaluated. In general, the results do not appear to be dependent on the software used. Based on the control limits established for the Program for the three sample spectra, 62%, 63% and 53%, respectively, of the reported results were evaluated as acceptable

  6. Application of Monte Carlo method in study of the padronization for radionuclides with complex disintegration scheme in 4{pi}{beta}-{gamma} coincidence System; Aplicacao do metodo de Monte Carlo no estudo da padronizacao de radionuclideos com esquema de desintegracao complexos em sistema de coincidencias 4{pi}{beta}-{gamma}

    Energy Technology Data Exchange (ETDEWEB)

    Takeda, Mauro Noriaki

    2006-07-01

    The present work described a new methodology for modelling the behaviour of the activity in a 4{pi}{beta}-{gamma} coincidence system. The detection efficiency for electrons in the proportional counter and gamma radiation in the NaI(Tl) detector was calculated using the Monte Carlo program MCNP4C. Another Monte Carlo code was developed which follows the path in the disintegration scheme from the initial state of the precursor radionuclide, until the ground state of the daughter nucleus. Every step of the disintegration scheme is sorted by random numbers taking into account the probabilities of all {beta}{sup -} branches, electronic capture branches, transitions probabilities and internal conversion coefficients. Once the final state was reached beta, electronic capture events and gamma transitions are accounted for the three spectra: beta, gamma and coincidence variation in the beta efficiency was performed simulating energy cut off or use of absorbers (Collodion). The selected radionuclides for simulation were: {sup 134}Cs, {sup 72}Ga which disintegrate by {beta}{sup -} transition, {sup 133}Ba which disintegrates by electronic capture and {sup 35}S which is a beta pure emitter. For the latter, the Efficiency Tracing technique was simulated. The extrapolation curves obtained by Monte Carlo were filled by the Least Square Method with the experimental points and the results were compared to the Linear Extrapolation method. (author)

  7. Preparation, infrared, raman and nmr spectra of N,N'-diethylthiourea complexes with zinc(II), cadmium(II) and mercury(II) halides

    Energy Technology Data Exchange (ETDEWEB)

    Marcotrigiano, G [Bari Univ. (Italy). Cattedra di Chimica, Facolta di Medicina-Veterinaria

    1976-05-01

    Several complexes of N,N'-diethylthiourea (Dietu) with zinc(II), cadmium(II) and mercury(II) halides were prepared and characterized by i.r. (4000-60 cm/sup -1/), raman (400-60 cm/sup -1/), in the solid state and n.m.r. and conductometric methods in solution. The complexes Zn(Dietu)/sub 2/X/sub 2/, Cd(Dietu)/sub 2/X/sub 2/ (X=Cl, Br, I) and Hg(Dietu)/sub 2/X/sub 2/ (X=Br, I) are tetrahedral species in which intramolecular -NH...X interactions have been observed. The 1:1 mercury(II) complexes, Hg(Dietu)X/sub 2/ (X=Cl, Br), appear to have a dimeric tetrahedral halide-bridged structure in the solid state. In all these complexes N,N'-diethylthiourea is sulphur-bonded to the metal.

  8. Metal complexes with 1,5- and 1,8-dihydroxy-9,10-anthraquinones: electronic absorption spectra and structure of ligands

    International Nuclear Information System (INIS)

    Fajn, V.Ya.; Zajtsev, B.E.; Ryabov, M.A.

    2004-01-01

    By spectrophotometric, quantum-chemical, and correlation methods it is determined that in complexes of metals (Nd, Pr, Sm, Th, UO 2 2+ , V) with 1,5-dihydroxy-9,10-anthraquinone ligand could be in 7 excited states differing not only by ionization degree but primary contribution of tautomeric 9,10-, 1,10-, and 1,5-anthraquinoid structures. On all known complexes with 1,8-dihydroxy-9,10-anthraquinone containing once ionized ligand the last has 1,10-anthraquinoid structure; for complexes containing twofold ionized ligand 9,10-anthraquinoid structure of ligand is the most characteristic. Known complexes are classified in accordance with structure of ligands [ru

  9. The GIP gamma-tubulin complex-associated proteins are involved in nuclear architecture in Arabidopsis thaliana.

    Directory of Open Access Journals (Sweden)

    Morgane eBatzenschlager

    2013-11-01

    Full Text Available During interphase, the microtubular cytoskeleton of cycling plant cells is organized in both cortical and perinuclear arrays. Perinuclear microtubules (MTs are nucleated from γ-Tubulin Complexes (γ-TuCs located at the surface of the nucleus. The molecular mechanisms of γ-TuC association to the nuclear envelope are currently unknown. The γ-TuC Protein 3 (GCP3-Interacting Protein 1 (GIP1 is the smallest γ-TuC component identified so far. AtGIP1 and its homologous protein AtGIP2 participate in the localization of active γ-TuCs at interphasic and mitotic MT nucleation sites. Arabidopsis gip1gip2 mutants are impaired in establishing a fully functional mitotic spindle and exhibit severe developmental defects.In this study, gip1gip2 knock down mutants were further characterized at the cellular level. In addition to defects in both the localization of γ-TuC core proteins and MT fibre robustness, gip1gip2 mutants exhibited a severe alteration of the nuclear shape associated with an abnormal distribution of the nuclear pore complexes. Simultaneously, they showed a misorganization of the inner nuclear membrane protein AtSUN1. Furthermore, AtGIP1 was identified as an interacting partner of AtTSA1 which was detected, like the AtGIP proteins, at the nuclear envelope.These results provide the first evidence for the involvement of a γ-TuC component in both nuclear shaping and nuclear envelope organization. Functional hypotheses are discussed in order to propose a model for a GIP-dependent nucleo-cytoplasmic continuum.

  10. Einstein Observatory SSS and MPC observations of the complex X-ray spectra of Seyfert galaxies. [Solid State Spectrometer and Monitor Proportional Counter

    Science.gov (United States)

    Turner, T. J.; Weaver, K. A.; Mushotzky, R. F.; Holt, S. S.; Madejski, G. M.

    1991-01-01

    The X-ray spectra of 25 Seyfert galaxies measured with the Solid State Spectrometer on the Einstein Observatory have been investigated. This new investigation utilizes simultaneous data from the Monitor Proportional Counter, and automatic correction for systematic effects in the Solid State Spectrometer which were previously handled subjectively. It is found that the best-fit single-power-law indices generally agree with those previously reported, but that soft excesses of some form are inferred for about 48 percent of the sources. One possible explanation of the soft excess emission is a blend of soft X-ray lines, centered around 0.8 keV. The implications of these results for accretion disk models are discussed.

  11. Airborne gamma-ray spectrometry

    DEFF Research Database (Denmark)

    Hovgaard, Jens

    A new method - Noise Adjusted Singular Value Decomposition, NASVD - for processing gamma-ray spectra has been developed as part of a Ph.D. project. By using this technique one is able to decompose a large set of data - for example from airborne gamma-ray surveys - into a few spectral components....... By knowing the spectral components and their amplitudes in each of the measured spectra one is able to extract more information from the data than possible with the methods used otherwise....

  12. Genomewide effects of peroxisome proliferator-activated receptor gamma in macrophages and dendritic cells--revealing complexity through systems biology.

    Science.gov (United States)

    Cuaranta-Monroy, Ixchelt; Kiss, Mate; Simandi, Zoltan; Nagy, Laszlo

    2015-09-01

    Systems biology approaches have become indispensable tools in biomedical and basic research. These data integrating bioinformatic methods gained prominence after high-throughput technologies became available to investigate complex cellular processes, such as transcriptional regulation and protein-protein interactions, on a scale that had not been studied before. Immunology is one of the medical fields that systems biology impacted profoundly due to the plasticity of cell types involved and the accessibility of a wide range of experimental models. In this review, we summarize the most important recent genomewide studies exploring the function of peroxisome proliferator-activated receptor γ in macrophages and dendritic cells. PPARγ ChIP-seq experiments were performed in adipocytes derived from embryonic stem cells to complement the existing data sets and to provide comparators to macrophage data. Finally, lists of regulated genes generated from such experiments were analysed with bioinformatics and system biology approaches. We show that genomewide studies utilizing high-throughput data acquisition methods made it possible to gain deeper insights into the role of PPARγ in these immune cell types. We also demonstrate that analysis and visualization of data using network-based approaches can be used to identify novel genes and functions regulated by the receptor. The example of PPARγ in macrophages and dendritic cells highlights the crucial importance of systems biology approaches in establishing novel cellular functions for long-known signaling pathways. © 2015 Stichting European Society for Clinical Investigation Journal Foundation.

  13. Effect of solvents on relation of intensities of bands of luminescence spectra of terbium and dysprosium ions in solutions of their complexes with acetoacetic ester

    International Nuclear Information System (INIS)

    Kononenko, L.I.; Bel'tyukova, S.V.; Meshkova, S.B.; Kravchenko, T.B.; Poluehktov, N.S.

    1978-01-01

    An investigation is made of the effect of different solvents on the ratio of the intensity of luminescence spectrum bands of terbium and dysprosium ions, corresponding and not corresponding to ''supersensitive'' transitions in complex compounds with acetoacetic ether. A dependence is established between these values and the dielectric constant of the solvent, and also parallels in their changes, which indicate the similar manifestation of the effect of solvents in both elements. A correlation is observed between ratios of the intensity of luminescence spectrum bands and values of forces of neodymium complex absorption band oscillators in different solvents

  14. Gamma Knife

    Science.gov (United States)

    ... News Physician Resources Professions Site Index A-Z Gamma Knife Gamma Knife® is a radiation therapy that uses computerized ... If you're scheduled for radiation therapy using Gamma Knife®, a treatment team consisting of a radiation ...

  15. An RGB approach to extraordinary spectra

    Science.gov (United States)

    Grusche, Sascha; Theilmann, Florian

    2015-09-01

    After Newton had explained a series of ordinary spectra and Goethe had pointed out its complementary counterpart, Nussbaumer discovered a series of extraordinary spectra which are geometrically identical and colourwise analogous to Newton’s and Goethe’s spectra. To understand the geometry and colours of extraordinary spectra, the wavelength composition is explored with filters and spectroscopic setups. Visualized in a dispersion diagram, the wavelength composition is interpreted in terms of additive colour mixing. Finally, all spectra are simulated as the superposition of red, green, and blue images that are shifted apart. This RGB approach makes it easy to understand the complex relationship between wavelengths and colours.

  16. Spectra and relaxation dynamics of the pseudohalide (PS) vibrational bands for Ru(bpy)2(PS)2 complexes, PS = CN, NCS and N3

    International Nuclear Information System (INIS)

    Compton, Ryan; Gerardi, Helen K.; Weidinger, Daniel; Brown, Douglas J.; Dressick, Walter J.; Heilweil, Edwin J.; Owrutsky, Jeffrey C.

    2013-01-01

    Highlights: ► Static and transient infrared spectroscopy of pseudohalide bipyridine ruthenium complexes. ► Vibrational energy relaxes faster for the azide than the thiocyanate and cyanide analogs. ► Intramolecular vibrational relaxation is prevalent in cis-Ru(bpy) 2 (N 3 ) 2 . - Abstract: Static and transient infrared spectroscopy were used to investigate cis-Ru(bpy) 2 (N 3 ) 2 (bpy = 2,2′-bipyridine), cis-Ru(bpy) 2 (NCS) 2 , and cis-Ru(bpy) 2 (CN) 2 in solution. The NC stretching IR band for cis-Ru(bpy) 2 (NCS) 2 appears at higher frequency (∼2106 cm −1 in DMSO) than for the free NCS − anion while the IR bands for the azide and cyanide complexes are closer to those of the respective free anions. The vibrational energy relaxation (VER) lifetime for the azide complex is found to be much shorter (∼5 ps) than for either the NCS or CN species (both ∼70 ps in DMSO) and the lifetimes resemble those for each corresponding free anion in solution. However, for cis-Ru(bpy) 2 (N 3 ) 2 , it is determined that the transition frequency depends more on the solvent than the VER lifetime implying that intramolecular vibrational relaxation is predominant over solvent energy-extracting interactions. These results are compared to the behavior of other related metal complexes in solution

  17. Sodiation as a tool for enhancing the diagnostic value of MALDI-TOF/TOF-MS spectra of complex astaxanthin ester mixtures from Haematococcus pluvialis

    NARCIS (Netherlands)

    Weesepoel, Y.J.A.; Vincken, J.P.; Pop, R.M.; Liu, K.; Gruppen, H.

    2013-01-01

    The microalga Haematococcus pluvialis produces the pigment astaxanthin mainly in esterified form with a multitude of fatty acids, which results in a complex mixture of carotenol mono- and diesters. For rapid fingerprinting of these esters, matrix-assisted laser desorption ionization time of flight

  18. Electronic structure optical spectra and contact hyperfine parameters of CoF64- complex in LiF and KMgF3

    International Nuclear Information System (INIS)

    Albuquerque, E.L. de.

    1975-12-01

    The electronic structure, the optical absorption bands and the magnetic hyperfine contact terms have been calculated for CoF 6 4- cluster in LiF and KMgF 3 using the Self-Consistent-Field Multiple-Scattering Xα Method. The results obtained are compared with experiment and indicate that this scheme is convenient to treat such complex problems. (Author) [pt

  19. Assignment of solid-state 13C and 1H NMR spectra of paramagnetic Ni(II) acetylacetonate complexes aided by first-principles computations

    DEFF Research Database (Denmark)

    Rouf, Syed Awais; Jakobsen, Vibe Boel; Mareš, Jiří

    2017-01-01

    Recent advances in computational methodology allowed for first-principles calculations of the nuclear shielding tensor for a series of paramagnetic nickel(II) acetylacetonate complexes, [Ni(acac)2L2] with L = H2O, D2O, NH3, ND3, and PMe2Ph have provided detailed insight into the origin of the par......Recent advances in computational methodology allowed for first-principles calculations of the nuclear shielding tensor for a series of paramagnetic nickel(II) acetylacetonate complexes, [Ni(acac)2L2] with L = H2O, D2O, NH3, ND3, and PMe2Ph have provided detailed insight into the origin...

  20. A randomized, double-blind, phase I/II trial of tumor necrosis factor and interferon-gamma for treatment of AIDS-related complex (Protocol 025 from the AIDS Clinical Trials Group).

    Science.gov (United States)

    Agosti, J M; Coombs, R W; Collier, A C; Paradise, M A; Benedetti, J K; Jaffe, H S; Corey, L

    1992-05-01

    To determine safety and efficacy of tumor necrosis factor (TNF) and interferon-gamma (IFN gamma) in the treatment of patients with acquired immunodeficiency syndrome (AIDS)-related complex, a randomized, double-blind study was conducted. Twenty-five patients with AIDS-related complex and CD4 lymphocytes less than or equal to 500 x 10(6)/L attended an AIDS Clinical Trials Unit of a tertiary referral center. Patients were administered tumor necrosis factor (TNF) (10 micrograms/m2) or IFN gamma (10 micrograms/m2), or both intramuscularly three times weekly for 16 weeks. Side effects from all three preparations included fever, constitutional symptoms, and local reactions. No significant hematologic, hepatic, renal, or coagulation abnormalities were observed. CD4 lymphocyte counts, beta 2-microglobulin, p24 antigen levels, and anti-p24 antibody did not change significantly during therapy. Similarly, no significant change was noted in rates of HIV isolation from peripheral blood mononuclear cells or plasma. TNF and IFN gamma were tolerable after premedication with acetaminophen; however, no significant change in markers of human immunodeficiency virus infection was demonstrated. These cytokines alone do not appear to be of benefit, nor do they appear to hasten the progression of HIV infection.

  1. Three inorganic-organic hybrids of bismuth(III) iodide complexes containing substituted 1,2,4-triazole organic components with charaterizations of diffuse reflectance spectra

    International Nuclear Information System (INIS)

    Liu Bing; Xu Ling; Guo Guocong; Huang Jinshun

    2006-01-01

    The reactions of two kinds of substituted 1,2,4-triazoles with BiI 3 yielded three inorganic-organic hybrids: [HL1] 4 [Bi 6 I 22 ].[L1] 4 .4H 2 O (1) (L1=3-(1,2,4-triazole-4-yl)-1H-1,2,4-triazole); [HL2] 4 [Bi 6 I 22 ].6H 2 O (2); [HL2] 2 [Bi 2 I 8 ].[L2] 2 (3) (L2=(m-phenol)-1,2,4-triazole). Both 1 and 2 have polynuclear anions of [Bi 6 I 22 ] 4- to build up the inorganic layers and substituted 1,2,4-triazoles as the organic layers. Hybrid 3 consists of two BiI 5 square pyramids as inorganic layers. There exist hydrogen bondings and I...;I interactions in the structures of 1, 2 and 3. Optical absorption spectra of 1, 2 and 3 reveal the presence of sharp optical gaps of 1.77, 1.77 and 2.07 eV, respectively, suggesting that these materials behave as semiconductors. - Graphical abstract: The reactions of two kinds of the substituted 1,2,4-triazoles with BiI 3 yielded three layered inorganic-organic hybrids [HL1] 4 [Bi 6 I 22 ].[L1] 4 .4H 2 O (1), [HL2] 4 [Bi 6 I 22 ].6H 2 O (2), [HL2] 2 [Bi 2 I 8 ].[L2] 2 (3) with optical gaps of 1.77, 1.77 and 2.07 eV, respectively. The structures of 1-3 are constructed from inorganic layers of polynuclear anions of bismuth iodine and organic layers of the substituted 1,2,4-triazoles

  2. Time dependent-density functional theory (TD-DFT) and experimental studies of UV-Visible spectra and cyclic voltammetry for Cu(II) complex with Et2DTC

    Science.gov (United States)

    Valle, Eliana Maira A.; Maltarollo, Vinicius Gonçalves; Almeida, Michell O.; Honorio, Kathia Maria; dos Santos, Mauro Coelho; Cerchiaro, Giselle

    2018-04-01

    In this work, we studied the complexation mode between copper(II) ion and the specific ligand investigated as carriers of metals though biological membranes, diethyldithiocarbamate (Et2DTC). It is important to understand how this occurs because it is an important intracellular chelator with potential therapeutic applications. Theoretical and experimental UV visible studies were performed to investigate the complexation mode between copper and the ligand. Electrochemical studies were also performed to complement the spectroscopic analyses. According to the theoretical calculations, using TD-DFT (Time dependent density functional theory), with B3LYP functional and DGDVZP basis set, implemented in Gaussian 03 package, it was observed that the formation of the complex [Cu(Et2DTC)2] is favorable with higher electron density over the sulfur atoms of the ligand. UV/Vis spectra have a charge transfer band at 450 nm, with the DMSO-d6 band shift from 800 to 650 nm. The electrochemical experiments showed the formation of a new redox process, referring to the complex, where the reduction peak potential of copper is displaced to less positive region. Therefore, the results obtained from this study give important insights on possible mechanisms involved in several biological processes related to the studied system.

  3. Statistical properties of Fermi GBM GRBs' spectra

    Science.gov (United States)

    Rácz, István I.; Balázs, Lajos G.; Horvath, Istvan; Tóth, L. Viktor; Bagoly, Zsolt

    2018-03-01

    Statistical studies of gamma-ray burst (GRB) spectra may result in important information on the physics of GRBs. The Fermi GBM catalogue contains GRB parameters (peak energy, spectral indices, and intensity) estimated fitting the gamma-ray spectral energy distribution of the total emission (fluence, flnc), and during the time of the peak flux (pflx). Using contingency tables, we studied the relationship of the models best-fitting pflx and flnc time intervals. Our analysis revealed an ordering of the spectra into a power law - Comptonized - smoothly broken power law - Band series. This result was further supported by a correspondence analysis of the pflx and flnc spectra categorical variables. We performed a linear discriminant analysis (LDA) to find a relationship between categorical (spectral) and model independent physical data. LDA resulted in highly significant physical differences among the spectral types, that is more pronounced in the case of the pflx spectra, than for the flnc spectra. We interpreted this difference as caused by the temporal variation of the spectrum during the outburst. This spectral variability is confirmed by the differences in the low-energy spectral index and peak energy, between the pflx and flnc spectra. We found that the synchrotron radiation is significant in GBM spectra. The mean low-energy spectral index is close to the canonical value of α = -2/3 during the peak flux. However, α is ˜ -0.9 for the spectra of the fluences. We interpret this difference as showing that the effect of cooling is important only for the fluence spectra.

  4. Calculation of vibrational spectra of complex hydrides, LiBeH/sub 3/, NaBeH/sub 3/ and LiMgH/sub 3/

    Energy Technology Data Exchange (ETDEWEB)

    Sukhanov, L P; Boldyrev, A I [AN SSSR, Chernogolovka. Inst. Novykh Khimicheskikh Problem

    1984-03-01

    The non-empirical Hartree-Fock-Ruthan method with a two-exponent Ros-Zigban basis has been used to calculate the coefficients of harmonic force field, frequency and intensity of normal vibrations of the LiBeH/sub 3/, NaBeH/sub 3/ and LiMgH/sub 3/ complex hydrides. Attribution of vibrational types is conducted. Isotope shifts for different isotope substitutions in the L(MH/sub 3/) are calculated. The effect of the nature of both the outer-spherical cation L/sup +/ and central atom M on the vibrational spectrum is discussed.

  5. Donor impurity-related optical absorption spectra in GaAs-Ga{sub 1-x}Al{sub x}As quantum wells: hydrostatic pressure and {gamma}-X conduction band mixing effects

    Energy Technology Data Exchange (ETDEWEB)

    Mora-Ramos, M.E. [Facultad de Ciencias, Universidad Autonoma del Estado de Morelos, Av. Universidad 1001, C.P. 62209, Cuernavaca, MOR (Mexico); Inst. de Ciencia de Materiales de Madrid, CSIC, Sor Juana Ines de la Cruz 3, 28049 Madrid (Spain); Lopez, S.Y. [Fac. de Educacion, Universidad de Antioquia, AA 1226, Medellin (Colombia); Duque, C.A. [Inst. de Fisica, Universidad de Antioquia, AA 1226, Medellin (Colombia); Velasco, V.R. [Inst. de Ciencia de Materiales de Madrid, CSIC, Sor Juana Ines de la Cruz 3, 28049 Madrid (Spain)

    2007-07-01

    Using a variational procedure within the effective mass approximation, the mixing between the {gamma} and X conduction band valleys in GaAs-Ga{sub 1-x}Al{sub x}As quantum wells is investigated by taking into account the effect of applied hydrostatic pressure. Some optical properties such as donor and/or acceptor binding energy and impurity-related transition energies are calculated and comparisons with available experimental data are presented. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  6. Quantum synchrotron spectra from semirelativistic electrons in teragauss magnetic fields

    International Nuclear Information System (INIS)

    Brainerd, J.J.

    1987-01-01

    Synchrotron spectra are calculated from quantum electrodynamic transition rates for thermal and power-law electron distributions. It is shown that quantum effects appear in thermal spectra when the photon energy is greater than the electron temperature, and in power-law spectra when the electron energy in units of the electron rest mass times the magnetic field strength in units of the critical field strength is of order unity. These spectra are compared with spectra calculated from the ultrarelativistic approximation for synchrotron emission. It is found that the approximation for the power-law spectra is good, and the approximation for thermal spectra produces the shape of the spectrum accurately but fails to give the correct normalization. Single photon pair creation masks the quantum effects for power-law distributions, so only modifications to thermal spectra are important for gamma-ray bursts. 13 references

  7. Two-dimensional 1H and 31P NMR spectra of a decamer oligodeoxyribonucleotide duplex and a quinoxaline ([MeCys3, MeCys7]TANDEM) drug duplex complex

    International Nuclear Information System (INIS)

    Powers, R.; Olsen, R.K.; Gorenstein, D.G.

    1989-01-01

    Assignment of the 1H and 31P NMR spectra of a decamer oligodeoxyribonucleotide duplex, d(CCCGATCGGG), and its quinoxaline ([MeCys3, MeCys7]TANDEM) drug duplex complex has been made by two-dimensional 1H-1H and heteronuclear 31P-1H correlated spectroscopy. The 31P chemical shifts of this 10 base pair oligonucleotide follow the general observation that the more internal the phosphate is located within the oligonucleotide sequence, the more upfield the 31P resonance occurs. While the 31P chemical shifts show sequence-specific variations, they also do not generally follow the Calladine rules previously demonstrated. 31P NMR also provides a convenient monitor of the phosphate ester backbone conformational changes upon binding of the drug to the duplex. Although the quinoxaline drug, [MeCys3, MeCys7]TANDEM, is generally expected to bind to duplex DNA by bis-intercalation, only small 31P chemical shift changes are observed upon binding the drug to duplex d(CCCGATCGGG). Additionally, only small perturbations in the 1H NMR and UV spectra are observed upon binding the drug to the decamer, although association of the drug stabilizes the duplex form relative to the other states. These results are consistent with a non-intercalative mode of association of the drug. Modeling and molecular mechanics energy minimization demonstrate that a novel structure in which the two quinoxaline rings of the drug binds in the minor groove of the duplex is possible

  8. Database searching and accounting of multiplexed precursor and product ion spectra from the data independent analysis of simple and complex peptide mixtures.

    Science.gov (United States)

    Li, Guo-Zhong; Vissers, Johannes P C; Silva, Jeffrey C; Golick, Dan; Gorenstein, Marc V; Geromanos, Scott J

    2009-03-01

    A novel database search algorithm is presented for the qualitative identification of proteins over a wide dynamic range, both in simple and complex biological samples. The algorithm has been designed for the analysis of data originating from data independent acquisitions, whereby multiple precursor ions are fragmented simultaneously. Measurements used by the algorithm include retention time, ion intensities, charge state, and accurate masses on both precursor and product ions from LC-MS data. The search algorithm uses an iterative process whereby each iteration incrementally increases the selectivity, specificity, and sensitivity of the overall strategy. Increased specificity is obtained by utilizing a subset database search approach, whereby for each subsequent stage of the search, only those peptides from securely identified proteins are queried. Tentative peptide and protein identifications are ranked and scored by their relative correlation to a number of models of known and empirically derived physicochemical attributes of proteins and peptides. In addition, the algorithm utilizes decoy database techniques for automatically determining the false positive identification rates. The search algorithm has been tested by comparing the search results from a four-protein mixture, the same four-protein mixture spiked into a complex biological background, and a variety of other "system" type protein digest mixtures. The method was validated independently by data dependent methods, while concurrently relying on replication and selectivity. Comparisons were also performed with other commercially and publicly available peptide fragmentation search algorithms. The presented results demonstrate the ability to correctly identify peptides and proteins from data independent acquisition strategies with high sensitivity and specificity. They also illustrate a more comprehensive analysis of the samples studied; providing approximately 20% more protein identifications, compared to

  9. Beta spectra. II-Positron spectra

    International Nuclear Information System (INIS)

    Grau, A.; Garcia-Torano, E.

    1981-01-01

    Using the Fermi theory of beta decay, the beta spectra for 30 positron emitters have been computed, introducing a correction factor for unique forbidden transitions. The spectra are ploted vs. energy, once normalised, and tabulated with the related Fermi functions. The average and median energies are calculated. (author)

  10. Beamstrahlung spectra in next generation linear colliders

    Energy Technology Data Exchange (ETDEWEB)

    Barklow, T.; Chen, P. (Stanford Linear Accelerator Center, Menlo Park, CA (United States)); Kozanecki, W. (DAPNIA-SPP, CEN-Saclay (France))

    1992-04-01

    For the next generation of linear colliders, the energy loss due to beamstrahlung during the collision of the e{sup +}e{sup {minus}} beams is expected to substantially influence the effective center-of-mass energy distribution of the colliding particles. In this paper, we first derive analytical formulae for the electron and photon energy spectra under multiple beamstrahlung processes, and for the e{sup +}e{sup {minus}} and {gamma}{gamma} differential luminosities. We then apply our formulation to various classes of 500 GeV e{sup +}e{sup {minus}} linear collider designs currently under study.

  11. Synthesis, spectra and X-ray crystallography of dipyridin-2-ylmethanone oxime and its CuX2(oxime)2 complexes: Thermal, Hirshfeld surface and DFT analysis

    Science.gov (United States)

    Warad, Ismail; Abdoh, Muneer; Al Ali, Anas; Shivalingegowda, Naveen; Kumara, Karthik; Zarrouk, Abdelkader; Lokanath, Neartur Krishnappagowda

    2018-02-01

    Dipyridin-2-ylmethanone oxime (C11H9N3O), was prepared using di-2-pyridyl ketone. The oxime ligand and its neutral CuX2 (oxime)2 (X = Cl or Br) complexes have been identified with the aid of several spectroscopic techniques such as: IR, EI-MS, EA, UV-visible, TG, 1H-NMR and finally the structure of the free oxime ligand was confirmed by X-ray diffraction studies. The oxime crystallizes in the monoclinic space group P21/c, with cell parameters a = 8.8811 (8) Å, b = 10.6362 (8) Å, c = 11.2050 (8) Å, β = 109.085 (4) º, V = 1000.26 (14) Å3 and Z = 4. The molecular conformation is stabilized by a strong intramolecular Osbnd H⋯N hydrogen bonding between the hydroxyl group of the oxime moiety and the nitrogen of the pyridine ring. Since the oxime structure was solved by XRD, the ligand structure parameters like bond length and angles were compared to the DFT computed one, the UV-visible to TD-SCF and Hirshfeld surface to MEP analysis.

  12. Automation of gamma-therapy

    International Nuclear Information System (INIS)

    Al'bitskij, L.L.; Brikker, I.N.; Bychkov, V.N.; Voronin, V.V.; Mirzoyan, A.R.; Rogozhin, A.S.; Sarkisyan, Yu.Kh.

    1989-01-01

    A system of automated control Aspect-2 was developed for automation of gamma therapy on units of the Rokus series. The system consists of the following hardware and software complexes: a complex of preirradiation preparation Centrator-imitator, a complex Accord for anatomotopographic data coding; a software complex and a gamma-therapeutic complex Rokus-AM. The Centrator-imitator and Rokus-AM complexes are fitted out with built-in microcomputers with specially developed systemic software. The Rokus-AM complex has automatic punch tape programmed control of 9 degrees of freedom of the gamma-unit and treatment table and ensures 5 modes of irradiation: positional, rotating, rotaing-convergent, sectoral rotating-convergent and scanning

  13. Sensitivity and repair of DNA-membrane complex of E.coli B/r and E.coli B/sub(S-1) irradiated with gamma-quanta

    International Nuclear Information System (INIS)

    Morozov, I.I.; Sulimova, T.V.; Ryabchenko, N.I.; Myasnik, M.N.

    1977-01-01

    Irradiation of E. coli B/r and E. coli Bsub(S-1) with gamma-quanta (14 to 42 krad) in Tris buffer at 0 deg C causes a 85% release of DNA molecules from a DNA: membrane complex which is partly repaired on incubation of cells in Tris buffer, pH 8.1, at 37 deg C. A short-term (2 min) addition of nutrient medium to irradiated cells also rises the radioresistance of DNA: membrane complex while further treatment of bacteria under similar conditions causes no additional rejoining of DNA with membranes

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

    Science.gov (United States)

    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.

  15. Theoretical analysis of the influence of chelate-ring size and vicinal effects on electronic circular dichroism spectra of cobalt(III) EDDA-type complexes.

    Science.gov (United States)

    Wang, Ai; Wang, Yuekui; Jia, Jie; Feng, Lixia; Zhang, Chunxia; Liu, Linlin

    2013-06-20

    To assess the contributions of configurational and vicinal effects as well as chelate-ring size to rotational strengths, the geometries of a series of cobalt(III) complexes [Co(EDDA-type)(L)](±) with the tetradentate EDDA-type ligands, EDDA (ethylenediamine-N,N'-diacetate), DMEDDA (N,N'-dimethylethylenediamine-N,N'-diacetate), DEEDDA (N,N'-diethylethylenediamine-N,N'-diacetate), and a bidentate ancillary ligand L (L = ethylenediamine, oxalate, carbonate, (S)-alanine, and malonate) in aqueous solution have been optimized at the DFT/B3LYP/6-311++G(2d,p) level of theory. Based on the optimized geometries, the excitation energies and oscillator and rotational strengths have been calculated using the time-dependent density functional theory (TDDFT) method with the same functional and basis set. The calculated circular dichroism (CD) curves are in excellent agreement with the observed ones except for some small red or blue shifts in peak wavelengths. For the influence of chelate-ring size of the bidentate ligands on the CD intensities, a qualitative analysis together with the quantitative TDDFT calculation reveal that it depends on the symmetry of the cobalt-EDDA backbone. For the s-cis-isomers, the influence is negligible due to the perturbation is symmetric. For the uns-cis-isomers, the perturbation is unsymmetric. Since a small ring size means a large perturbation, this leads to the integral CD intensities decreasing with increasing the chelate ring size. The vicinal effects of asymmetric nitrogens incorporate both the substitutent effects and conformational relaxation effects, with the former being dominant. By analyzing the contributions of chiral arrays to rotational strengths, we found that the part of contributions dominated by the S-type chiral nitrogens could be considered as a good measure for the vicinal effects of chiral nitrogens. In addition, we found that the twist form (δ/λ) of the backbone ethylenediamine ring (E-ring) of the coordinated EDDA

  16. Microsolvation of the water cation in neon: Infrared spectra and potential energy surface of the H2O+-Ne open-shell ionic complex

    Science.gov (United States)

    Dopfer, Otto; Roth, Doris; Maier, John P.

    2001-04-01

    The intermolecular potential of the H2O+-Ne open-shell ionic dimer in its doublet electronic ground state has been investigated by infrared spectroscopy in the vicinity of the O-H stretch vibrations (ν1 and ν3) and ab initio calculations at the unrestricted Møller-Plesset second-order (MP2) level with a basis set of aug-cc-pVTZ quality. The rovibrational structure of the photodissociation spectrum is consistent with a proton-bound planar H-O-H-Ne structure and a Ne-H separation of R0=1.815(5) Å. The complexation-induced redshifts are Δν1=-69 cm-1 and Δν3=-6 cm-1, respectively. Tunneling splittings observed in the perpendicular component of the ν3 hybrid band of H2O+-Ne are attributed to hindered internal rotation between the two equivalent proton-bound equilibrium structures. The interpretation of the H2O+-Ne spectrum is supported by the spectrum of the monodeuterated species, for which both the proton-bound and the deuteron-bound isomers are observed (DOH+-Ne, HOD+-Ne). The equilibrium structure of the calculated potential energy surface of H2O+-Ne has a slightly translinear proton bond, which is characterized by a Ne-H separation of Re=1.77 Å, a bond angle of φe=174°, and dissociation energies of De=756 cm-1 and D0=476 cm-1. According to the calculated potential, the exchange tunneling between the two equivalent minima occurs via the planar bridged transition state with C2v symmetry and a barrier of 340 cm-1. In general, the calculated properties of H2O+-Ne show good agreement with the experimental data. Initial steps in the microsolvation of the water cation in neon are discussed by comparing the calculated and experimental properties of H2O+-Nen (n=0-2) with neon matrix isolation data (n→∞).

  17. Preservation of information in Fourier theory based deconvolved nuclear spectra

    International Nuclear Information System (INIS)

    Madan, V.K.; Gopalakrishnan, K.R.; Sharma, R.C.; Rattan, S.S.

    1995-01-01

    Nuclear spectroscopy is extremely useful to the internal radiation dosimetry for the estimation of body burden due to gamma emitters. Analysis of nuclear spectra is concerned with the extraction of qualitative and quantitative information embedded in the spectra. A spectral deconvolution method based on Fourier theory is probably the simplest method of deconvolving nuclear spectra. It is proved mathematically that the deconvolution method preserves the qualitative information. It is shown by using simulated spectra and an observed gamma ray spectrum that the method preserves the quantitative information. This may provide a novel approach of information extraction from a deconvolved spectrum. The paper discusses the methodology, mathematical analysis, and the results obtained by deconvolving spectra. (author). 6 refs., 2 tabs

  18. Natural background gamma-ray spectrum. List of gamma-rays ordered in energy from natural radionuclides

    Energy Technology Data Exchange (ETDEWEB)

    Ichimiya, Tsutomu [Japan Radioisotope Association, Tokyo (Japan); Narita, Tsutomu; Kitao, Kensuke

    1998-03-01

    A quick index to {gamma}-rays and X-rays from natural radionuclides is presented. In the list, {gamma}-rays are arranged in order of increasing energy. The list also contains {gamma}-rays from radioactive nuclides produced in a germanium detector and its surrounding materials by interaction with cosmic neutrons, as well as direct {gamma}-rays from interaction with the neutrons. Artificial radioactive nuclides emitting {gamma}-rays with same or near energy value as that of the natural {gamma}-rays and X-rays are also listed. In appendix, {gamma}-ray spectra from a rock, uranium ore, thorium, monazite and uraninite and also background spectra obtained with germanium detectors placed in iron or lead shield have been given. The list is designed for use in {gamma}-ray spectroscopy under the conditions of highly natural background, such as in-situ environmental radiation monitoring or low-level activity measurements, with a germanium detector. (author)

  19. Advance features in the SPAN and SPAN/XRF gamma ray and X ray spectrum analysis software

    International Nuclear Information System (INIS)

    Wang Liyu

    1998-01-01

    This paper describes the advanced techniques, integral peak background, experimental peak shape and complex peak shape, which have been used successfully in the software packages SPAN and SPAN/XRF to process gamma ray and X ray spectra from HPGe and Si(Li) detector. Main features of SPAN and SPAN/XRF are also described. The software runs on PC and has convenient graphical capabilities and a powerful user interface. (author)

  20. Evaluation of the lithology contents and types of clay minerals using downhole spectral analyzer of natural gamma radiation

    International Nuclear Information System (INIS)

    Zivanov, M.; Savicic, M.; Grbovic, G.

    1992-01-01

    The microprocessor downhole spectrum analyzer of natural gamma radiation is an important part of the new generation of geophysical well logging systems. This instrument produces complete energy spectra of the penetrated formations. here physical principles of logging are shown. based on the logging results from one of the wells complex lithology was identified, together with shale contents in the formation and types of clay and minerals. (author)