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Sample records for absorption difference spectrum

  1. Excited-state absorption in bacteriochlorophyll a-protein from the green photosynthetic bacterium Prosthecochloris aestuarii: Reinterpretation of the absorption difference spectrum

    SciTech Connect

    Amerongen, H. van; Struve, W.S. )

    1991-10-31

    Excited-state absorption arising from transitions between singly and doubly excited exciton components in strongly coupled photosynthetic antennae profoundly influences the absorption difference spectra observed in pump-probe spectroscopy. Model calculations of the absorption difference spectrum in the BChl a-protein complex from P. aestuarii are compared with the experimental spectrum.

  2. Invisible ink mark detection in the visible spectrum using absorption difference.

    PubMed

    Lee, Joong; Kong, Seong G; Kang, Tae-Yi; Kim, Byounghyun; Jeon, Oc-Yeub

    2014-03-01

    One of popular techniques in gambling fraud involves the use of invisible ink marks printed on the back surface of playing cards. Such covert patterns are transparent in the visible spectrum and therefore invisible to unaided human eyes. Invisible patterns can be made visible with ultraviolet (UV) illumination or a CCD camera installed with an infrared (IR) filter depending on the type of ink materials used. Cheating gamers often wear contact lenses or eyeglasses made of IR or UV filters to recognize the secret marks on the playing cards. This paper presents an image processing technique to reveal invisible ink patterns in the visible spectrum without the aid of special equipment such as UV lighting or IR filters. A printed invisible ink pattern leaves a thin coating on the surface with different refractive index for different wavelengths of light, which results in color dispersion or absorption difference. The proposed method finds the differences of color components caused by absorption difference to detect invisible ink patterns on the surface. Experiment results show that the proposed scheme is effective for both UV-active and IR-active invisible ink materials.

  3. Ultraviolet absorption spectrum of HOCl

    NASA Technical Reports Server (NTRS)

    Burkholder, James B.

    1993-01-01

    The room temperature UV absorption spectrum of HOCl was measured over the wavelength range 200 to 380 nm with a diode array spectrometer. The absorption spectrum was identified from UV absorption spectra recorded following UV photolysis of equilibrium mixtures of Cl2O/H2O/HOCl. The HOCl spectrum is continuous with a maximum at 242 nm and a secondary peak at 304 nm. The measured absorption cross section at 242 nm was (2.1 +/- 0.3) x 10 exp -19/sq cm (2 sigma error limits). These results are in excellent agreement with the work of Knauth et al. (1979) but in poor agreement with the more recent measurements of Mishalanie et al. (1986) and Permien et al. (1988). An HOCl nu2 infrared band intensity of 230 +/- 35/sq cm atm was determined based on this UV absorption cross section. The present results are compared with these previous measurements and the discrepancies are discussed.

  4. [Measurement and analysis of absorption spectrum of human blood].

    PubMed

    Zhao, Zhi-Min; Xin, Yu-Jun; Wang, Le-Xin; Zhu, Wei-Hua; Zheng, Min; Guo, Xin

    2008-01-01

    The present paper puts forward a method of disease diagnosis by using the technology of spectrum analysis of human blood serum. The generation mechanism of absorption spectrum is explained and the absorption spectra of the normal blood serum and the sick blood serum are listed from the experiments of absorption spectrometry. Though the value of absorbency of the sick blood serum is almost equal to that of the normal blood serum in the most absorption spectra, there are some differences around 278 nm in the absorption spectrum. The absorbency of the blood serum with hyperglycemia is greater than that of the normal blood serum at 285 nm in the spectrum, and besides, there comes a peak shift of absorption with hyperglycemia. In the absorption spectrum of the blood serum with hypercholesterolemia, there is a clear absorption peak at 414 nm. However there is not any peak at that wavelength in the absorption spectrum of the normal blood serum. Through comparing the characters of the spectrum, we can judge if the blood sample is or not, and this blood analysis is a new method for the diagnosis of disease. Compared with other methods of blood measurements, the method of absorption spectrum analysis of blood serum presented in this paper, is more convenient for measurement, simpler for analysis, and easier to popularize.

  5. The Absorption Spectrum of Sodium Vapor

    ERIC Educational Resources Information Center

    Ashby, R. A.; Gotthard, H. W.

    1974-01-01

    Procedures and discussion of an experiment to be used in an undergraduate course in spectroscopy are presented. The experiment involves the measurement of the absorption spectrum of sodium vapor. (DT)

  6. [Infrared absorption spectrum analysis and its application to blood].

    PubMed

    Wang, Le-xin; Zhao, Zhi-min; Yao, Hong-bing; Chen, Yu-ming; Shi, Lei; Gao, Yong

    2002-12-01

    The technology of infrared absorption spectrum is a branch of optical ment measurement technology, and the research on the application of infrared spectrum plays an important role in the development of technology of optical measurement. In this paper, the analysis technology of blood infrared absorption spectrum is presented. By comparison, the difference of the spectra between normal and abnormal blood samples was obtained. The infrared absorption spectra of normal blood sample and abnormal blood sample were detected, and the differences between the spectra are presented. And the analysis results of the infrared absorption spectra of normal whole blood, serum and hyperglycemia are presented also. All of these provide an experimental basis for the diagnosis of diseases, which is valuable for application. This technology features easy operation, convenient analysis and suitability for advanced experiment. The work offers a new way in the research on the application of infrared absorption spectrum.

  7. A Fourier transform infrared absorption difference spectrum associated with the reduction of A1 in photosystem I: are both phylloquinones involved in electron transfer?

    PubMed

    Hastings, G; Sivakumar, V

    2001-03-27

    Photoaccumulated Fourier transform infrared difference spectra associated with P700(+) and P700(+)A(1)(-) formation have been obtained using purified photosystem I particles from Synechocystis sp. PCC 6803. From these spectra, a difference spectrum associated with phylloquinone reduction (A(1)(-) - A(1)) has been calculated. Infrared absorption changes associated with both the loss of the ground state and formation of the anion radical are observed in the difference spectrum. Fourier transform infrared difference spectra obtained in various spectral regions indicate that two, structurally distinct phylloquinones are photoaccumulated. This could indicate that phylloquinones on both the PsaA and PsaB branches are involved in electron transfer, and that electron transfer is bi-directional in photosystem I. It could also indicate an intrinsic structural heterogeneity in the A(1) binding site of the active branch. Several FTIR difference features taken together indicate that a glutamic acid residue (at position 699 or 702 on PsaA and/or 679 or 682 on PsaB) is perturbed upon A(1) anion formation. It is suggested that the protonation state of the perturbed glutamic acid residue is influenced by hydrogen bonding to a nearby tyrosine residue at position 696/676 on PsaA/PsaB.

  8. Quantum Entanglement Molecular Absorption Spectrum Simulator

    NASA Technical Reports Server (NTRS)

    Nguyen, Quang-Viet; Kojima, Jun

    2006-01-01

    Quantum Entanglement Molecular Absorption Spectrum Simulator (QE-MASS) is a computer program for simulating two photon molecular-absorption spectroscopy using quantum-entangled photons. More specifically, QE-MASS simulates the molecular absorption of two quantum-entangled photons generated by the spontaneous parametric down-conversion (SPDC) of a fixed-frequency photon from a laser. The two-photon absorption process is modeled via a combination of rovibrational and electronic single-photon transitions, using a wave-function formalism. A two-photon absorption cross section as a function of the entanglement delay time between the two photons is computed, then subjected to a fast Fourier transform to produce an energy spectrum. The program then detects peaks in the Fourier spectrum and displays the energy levels of very short-lived intermediate quantum states (or virtual states) of the molecule. Such virtual states were only previously accessible using ultra-fast (femtosecond) laser systems. However, with the use of a single-frequency continuous wave laser to produce SPDC photons, and QEMASS program, these short-lived molecular states can now be studied using much simpler laser systems. QE-MASS can also show the dependence of the Fourier spectrum on the tuning range of the entanglement time of any externally introduced optical-path delay time. QE-MASS can be extended to any molecule for which an appropriate spectroscopic database is available. It is a means of performing an a priori parametric analysis of entangled photon spectroscopy for development and implementation of emerging quantum-spectroscopic sensing techniques. QE-MASS is currently implemented using the Mathcad software package.

  9. Mechanochemical Tuning of Pyrene Absorption Spectrum Using Force Probes.

    PubMed

    Fernández-González, Miguel Ángel; Rivero, Daniel; García-Iriepa, Cristina; Sampedro, Diego; Frutos, Luis Manuel

    2017-02-14

    Control of absorption spectra in chromophores is a fundamental aspect of many photochemical and photophysical processes as it constitutes the first step of the global photoinduced process. Here we explore the use of mechanical forces to modulate the light absorption process. Specifically, we develop a computational formalism for determining the type of mechanical forces permitting a global tuning of the absorption spectrum. This control extends to the excitation wavelength, absorption bands overlap, and oscillator strength. The determination of these optimal forces permits us to rationally guide the design of new mechano-responsive chromophores. Pyrene has been chosen as the case study for applying these computational tools because significant absorption spectra information is available for the chromophore as well as for different strained derivatives. Additionally, pyrene presents a large flexibility, which makes it a good system to test the inclusion of force probes as the strategy to exert forces on the system.

  10. [The study of absorption spectrum for cell substrate].

    PubMed

    Zhao, Yuan-Li; Zhang, Feng-Qiu; Ge, Xiang-Hong; Yao, Shu-Xia; Liang, Er-jun

    2004-08-01

    The authors collected the absorption spectrum of RPMI 1640 and DMEM substrates that cultivated Hela and CNE by UV-3101 spectrophotometer and analysed the absorbability of proteins in the substrate. The absorption peaks of the RPMI 1 640 culture medium that cultivated cells for different times shifted from 227 to 222 or 218 nm and from 278 to 280 nm respectively; while during growing course of cultivated cells, one of the absorption peaks of DMEM culture medium shifted from 224 nm to one near 221 nm, and the absorption peak 278 nm almost had no shift. All of these shifts show that the content of each amino acid such as tryptophan and casein has already changed. That is, during the growing course of cultivating cancer cells, the tryptophan and casein were not depleted equivalently. In the growth period of Hela and CNE, they consumed different amino acid. So they need different component proportion for amino acid.

  11. Absorption spectrum of DNA for wavelengths greater than 300 nm

    SciTech Connect

    Sutherland, J.C.; Griffin, K.P.

    1981-06-01

    Although DNA absorption at wavelengths greater than 300 nm is much weaker than that at shorter wavelengths, this absorption seems to be responsible for much of the biological damage caused by solar radiation of wavelengths less than 320 nm. Accurate measurement of the absorption spectrum of DNA above 300 nm is complicated by turbidity characteristic of concentrated solutions of DNA. We have measured the absorption spectra of DNA from calf thymus, Clostridium perfringens, Escherichia coli, Micrococcus luteus, salmon testis, and human placenta using procedures which separate optical density due to true absorption from that due to turbidity. Above 300 nm, the relative absorption of DNA increases as a function of guanine-cytosine content, presumably because the absorption of guanine is much greater than the absorption of adenine at these wavelengths. This result suggests that the photophysical processes which follow absorption of a long-wavelength photon may, on the average, differ from those induced by shorter-wavelength photons. It may also explain the lower quantum yield for the killing of cells by wavelengths above 300 nm compared to that by shorter wavelengths.

  12. [Analysis of UV-visible absorption spectrum on the decolorization of industrial wastewater by disinfection].

    PubMed

    Huang, Xin; Wang, Long-Yong; Gao, Nai-Yun; Li, Wei-Guo

    2012-10-01

    The UV-Visible absorption spectrum of industrial wastewater was explored to introduce a substituting method determining the color of water, and to compare the decolorization efficacy of different disinfectants. The results show that the visible absorption spectrum(350-600 nm), instead of ultraviolet absorption spectrum, should be applied to characterize the color of wastewater. There is a good correlation between the features of visible absorption spectrum and the true color of wastewater. Both ozone and chlorine dioxide has a better decolorization performance than chlorine. However, the color of chlorine dioxide itself has a negative effect on decolorization. The changes in the features of visible absorption spectrum effectively reflect the variations in the color of wastewater after disinfection.

  13. The Absorption Spectrum of Iodine Vapour

    ERIC Educational Resources Information Center

    Tetlow, K. S.

    1972-01-01

    A laboratory experiment is described which presents some molecular parameters of iodine molecule by studying iodine spectrum. Points out this experiment can be conducted by sixth form students in high school laboratories. (PS)

  14. The Absorption Spectrum of an Electron Solvated in Sodalite

    DTIC Science & Technology

    1992-05-15

    S. FUNDING NUMBERS The Absorption Spectrum of an Electron N00014-90-J-1159 Solvated in Sodalite C AUTHOR(S) K. Haug, V. Srdanov, G. Stucky, and H...words) We use a simple model to study the color change taking place when sodium atoms are absorbed in the zeolite sodalite . The Hamiltonian is that...the absorption spectrum on the magnitude of framework charges, the orientation of the Na 4 cluster in the sodalite cells, the localization of the

  15. The emission/absorption FE 2 spectrum of HD 45677

    NASA Technical Reports Server (NTRS)

    Stalio, R.; Selvelli, P. L.

    1981-01-01

    The complex behavior of the emission/absorption spectrum of Fe II is analyzed. The far UV spectrum is characterized almost solely by absorption lines, while, in the near UV, strong emissions are predominant. Radiative excitation from the ground to the highest levels (chi is approximately 10 eV) with re-emission in the near UV, visible and I.R. seems to be the main mechanism capable of explaining the observed spectral features.

  16. Observation of the visible absorption spectrum of H2O(+)

    NASA Technical Reports Server (NTRS)

    Das, Biman; Farley, John W.

    1991-01-01

    The water cation, H2O(+), has been studied, using laser absorption spectroscopy in a velocity-modulated discharge. It is shown that it is possible to observe the absorption spectrum of an ion that is not a terminal ion, despite the weak absorption oscillator strength, and despite the use of a relatively noisy dye laser. The relative intensities of the absorption lines have been measured to an accuracy of 13 percent. It is concluded that if the absorption cross section of a single transition can be measured absolutely, then the entire manifold will be known absolutely.

  17. Theoretical modeling of the absorption spectrum of aqueous riboflavin

    NASA Astrophysics Data System (ADS)

    Zanetti-Polzi, Laura; Aschi, Massimiliano; Daidone, Isabella; Amadei, Andrea

    2017-02-01

    In this study we report the modeling of the absorption spectrum of riboflavin in water using a hybrid quantum/classical mechanical approach, the MD-PMM methodology. By means of MD-PMM calculations, with which the effect of riboflavin internal motions and of solvent interactions on the spectroscopic properties can be explicitly taken into account, we obtain an absorption spectrum in very good agreement with the experimental spectrum. In particular, the calculated peak maxima show a consistent improvement with respect to previous computational approaches. Moreover, the calculations show that the interaction with the environment may cause a relevant recombination of the gas-phase electronic states.

  18. [Using Fourier transform to analyse differential optical absorption spectrum].

    PubMed

    Liu, Qian-Lin; Wang, Li-Shi; Huang, Xin-Jian

    2008-05-01

    According to the theory of differential optical absorption spectral technique, the differential optical absorption spectral monitoring equipment was designed. Aiming at two kinds of main pollutants, SO2 and NO2, in the atmosphere, this technique was used to monitor them. The present article puts forward the signal analysis method of Fourier transformation to process the above-mentioned two kinds of absorption spectra. The two approaches contain the removeal of noise and the fitting of the slow variety. On the frequency chart after the spectrum was transformed, the low frequency corresponded to the slow variety part and the high frequency corresponded to the noise part of the original spectrum, so through intercepting a certain frequency segment and using inverse Fourier transformation the slow variety part of the low frequency and the noise part of the high frequency of the absorption spectrum could be subtracted. After farther processing we can get a higher resolution differential absorption spectrum of the gas. According to the strength of the spectrum, we can calculate the concentration of the gas. After analysis and comparison with the conventional method, it is considered a new processing method of differential optical absorption spectral technique, and the method can fit the slow variety much better.

  19. Inapplicability of small-polaron model for the explanation of infrared absorption spectrum in acetanilide.

    PubMed

    Zeković, Slobodan; Ivić, Zoran

    2009-01-01

    The applicability of small-polaron model for the interpretation of infrared absorption spectrum in acetanilide has been critically reexamined. It is shown that the energy difference between the normal and anomalous peak, calculated by means of small-polaron theory, displays pronounced temperature dependence which is in drastic contradiction with experiment. It is demonstrated that self-trapped states, which are recently suggested to explain theoretically the experimental absorption spectrum in protein, cannot cause the appearance of the peaks in absorption spectrum for acetanilide.

  20. Temperature dependence of the NO3 absorption spectrum

    NASA Technical Reports Server (NTRS)

    Sander, Stanley P.

    1986-01-01

    The absorption spectrum of the gas-phase NO3 radical has been studied between 220 and 700 nm by using both flash photolysis and discharge flow reactors for the production of NO3. In the flash photolysis method, cross sections at the peak of the (0,0) band at 661.9 nm were measured relative to the cross section of ClONO2 at several different wavelengths. From the best current measurements of the ClONO2 spectrum, the NO3 cross section at 661.9 nm was determined to be (2.28 + or 0.34) x 10 to the -17th sq cm/molecule at 298 K. Measurements at 230 K indicated that the cross section increases by a factor of 1.18 at the peak of the (0,0) band. The discharge flow method was used both to obtain absolute cross sections at 661.9 nm and to obtain relative absorption spectra between 300 and 700 nm at 298 and 230 K. A value of (1.83 + or - 0.27) x 10 to the -17th sq cm/molecule was obtained for sigma NO3 at 661.9 nm at 298 K. Upper limits to the NO3 cross sections were also measured between 220 and 260 nm with the discharge flow method.

  1. Vertical transition energies vs. absorption maxima: illustration with the UV absorption spectrum of ethylene.

    PubMed

    Lasorne, Benjamin; Jornet-Somoza, Joaquim; Meyer, Hans-Dieter; Lauvergnat, David; Robb, Michael A; Gatti, Fabien

    2014-02-05

    We revisit the validity of making a direct comparison between measured absorption maxima and computed vertical transition energies within 0.1 eV to calibrate an excited-state level of theory. This is illustrated on the UV absorption spectrum of ethylene for which the usual experimental values of 7.66 eV (V←N) and 7.11 eV (R(3s)←N) cannot be compared directly to the results of electronic structure calculations for two very different reasons. After validation of our level of theory against experimental data, a new experimental reference of 7.28 eV is suggested for benchmarking the Rydberg state, and the often-cited average transition energy (7.80 eV) is confirmed as a safer estimate for the valence state.

  2. [Gas Concentration Measurement Based on the Integral Value of Absorptance Spectrum].

    PubMed

    Liu, Hui-jun; Tao, Shao-hua; Yang, Bing-chu; Deng, Hong-gui

    2015-12-01

    The absorptance spectrum of a gas is the basis for the qualitative and quantitative analysis of the gas by the law of the Lambert-Beer. The integral value of the absorptance spectrum is an important parameter to describe the characteristics of the gas absorption. Based on the measured absorptance spectrum of a gas, we collected the required data from the database of HIT-RAN, and chose one of the spectral lines and calculated the integral value of the absorptance spectrum in the frequency domain, and then substituted the integral value into Lambert-Beer's law to obtain the concentration of the detected gas. By calculating the integral value of the absorptance spectrum we can avoid the more complicated calculation of the spectral line function and a series of standard gases for calibration, so the gas concentration measurement will be simpler and faster. We studied the changing trends of the integral values of the absorptance spectrums versus temperature. Since temperature variation would cause the corresponding variation in pressure, we studied the changing trends of the integral values of the absorptance spectrums versus both the pressure not changed with temperature and changed with the temperature variation. Based on the two cases, we found that the integral values of the absorptance spectrums both would firstly increase, then decrease, and finally stabilize with temperature increasing, but the ranges of specific changing trend were different in the two cases. In the experiments, we found that the relative errors of the integrated values of the absorptance spectrum were much higher than 1% and still increased with temperature when we only considered the change of temperature and completely ignored the pressure affected by the temperature variation, and the relative errors of the integrated values of the absorptance spectrum were almost constant at about only 1% when we considered that the pressure were affected by the temperature variation. As the integral value

  3. Diel oscillation in the optical activity of carotenoids in the absorption spectrum of Nannochloropsis.

    PubMed

    Possa, Gabriela C; Santana, Hugo; Brasil, Bruno S A F; Roncaratti, Luiz F

    2017-03-01

    In this paper we show that the absorption spectrum of the microalgae Nannochloropsis oceanica exhibits changes in response to the modulation of incident light. A model was used to analyze the contribution of different active pigments to the total absorption in the photosynthetically active radiation region and suggested consistent diel oscillations in the optical activity of carotenoids.

  4. [Anomalous absorption and a qualified far infrared spectrum].

    PubMed

    Hu, Yan-qin; Chen, Yu-jing; Li, Hui-hua; Wang, Hai-shui

    2012-02-01

    The ideal 100% line could not be obtained when the content of water vapor in the spectrometer is constant but high during the whole procedure of a far-infrared spectrum collection. This result indicates that anomalous absorption phenomenon takes place in high relative humidity atmosphere. In the present paper, the influences of the relative humidity of ambient air and spectral resolution on anomalous absorption were studied. It was found that both decreasing the water vapor content in the spectrometer and adopting low spectral resolution are effective methods to avoid anomalous absorption. Furthermore, the water vapor bands can be eliminated by "dry air and wet air titration" in the fluctuant humidity. This provides us a quick and economic method to obtain a qualified far infrared spectrum conveniently. It should be noticed that the working condition for "dry air and wet air titration" is low relative humidity to prevent water vapor abnormal absorption.

  5. [Study of cholesterol concentration based on serum UV-visible absorption spectrum].

    PubMed

    Zhu, Wei-Hua; Zhao, Zhi-Min; Guo, Xin; Chen, Hui

    2009-04-01

    In the present paper, UV-visible absorption spectrum and neural network theory were used for the analysis of cholesterol concentration. Experimental investigation shows that the absorption spectrum has the following characteristics in the wave band of 350-600 nm: (1) There is a stronger absorption peak at 416 nm for the test sample with different cholesterol concentration; (2) There is a shoulder peak between 450 and 500 nm, whose central wavelength is 460 nm; (3) There is a weaker peak at 578 nm; (4) Absorption spectrums shape of different cholesterol concentration is different obviously. The absorption spectrum of serum is the synthesis result of cholesterol and other components (such as sugar), and the information is contained at each wavelength. There is no significant correlation between absorbance and cholesterol content at 416 nm, showing a random relation, so whether cholesterol content is abnormal is not determined by the absorbance peak at 416 nm. Based on the evident correlation between serum absorption spectrum and cholesterol concentration in the wave band of 455-475 nm, a neural network model was built to predict the cholesterol concentration. The correlation coefficient between predicted cholesterol content output A and objectives T reaches 0.968, which can be regarded as better prediction, and it provides a spectra test method of cholesterol concentration.

  6. Giant many-body effects in liquid ammonia absorption spectrum

    NASA Astrophysics Data System (ADS)

    Ziaei, Vafa; Bredow, Thomas

    2016-11-01

    In the present work, we accurately calculate the absorption spectrum of liquid ammonia up to 13 eV using many-body perturbation approach. The electronic bandgap of liquid NH3 is perfectly described as the combination of density functional theory, Coulomb-hole screened exchange, and G0W0 approximation to the electronic self-energy, yielding a direct gap (Γ → Γ) of 7.71 eV, fully consistent with the experimentally measured gap from photo-emission spectroscopy. With respect to the NH3 optical properties, the entire spectrum in particular the low lying first absorption band is extremely affected by electron-hole interactions, leading to a fundamental redistribution of spectral weights of the independent-particle spectrum. Three well separated but broad main peaks are identified at 7.0, 9.8, and 11.8 eV with steadily increasing intensities in excellent agreement with the experimental data. Furthermore, we observe a giant net blue-shift of the first absorption peak of about 1.4 eV from gaseous to liquid phase as the direct consequence of many-body effects, allowing the associated liquid ammonia absorption band exciton to delocalize and feel more effectively the repulsion effects imposed by the surrounding solvent shells. Further, the spectrum is insensitive to the coupling of resonant and anti-resonant contributions. Concerning electronic response structure of liquid NH3, it is most sensitive to excitations at energies lower than its electronic gap.

  7. [Extracting THz absorption coefficient spectrum based on accurate determination of sample thickness].

    PubMed

    Li, Zhi; Zhang, Zhao-hui; Zhao, Xiao-yan; Su, Hai-xia; Yan, Fang

    2012-04-01

    Extracting absorption spectrum in THz band is one of the important aspects in THz applications. Sample's absorption coefficient has a complex nonlinear relationship with its thickness. However, as it is not convenient to measure the thickness directly, absorption spectrum is usually determined incorrectly. Based on the method proposed by Duvillaret which was used to precisely determine the thickness of LiNbO3, the approach to measuring the absorption coefficient spectra of glutamine and histidine in frequency range from 0.3 to 2.6 THz(1 THz = 10(12) Hz) was improved in this paper. In order to validate the correctness of this absorption spectrum, we designed a series of experiments to compare the linearity of absorption coefficient belonging to one kind amino acid in different concentrations. The results indicate that as agreed by Lambert-Beer's Law, absorption coefficient spectrum of amino acid from the improved algorithm performs better linearity with its concentration than that from the common algorithm, which can be the basis of quantitative analysis in further researches.

  8. Excitonic effects and the optical absorption spectrum ofhydrogenated Si clusters

    SciTech Connect

    Rohlfing, Michael; Louie, Steven G.

    1997-10-19

    We calculate the optical absorption spectrum of hydrogen-terminated silicon clusters by solving the Bethe-Salpeter equation for the two-particle Green's function using an ab initio approach. The one-particle Green's function and the electron-hole interaction kernel are calculated within the GW approximation for the electron self-energy operator. Very large exciton binding energies are observed. Our results for the one-particle properties and the optical absorption spectra of the clusters are in very good agreement with available experimental data.

  9. Ultraviolet absorption spectrum of chlorine nitrite, ClONO

    NASA Technical Reports Server (NTRS)

    Molina, L. T.; Molina, M. J.

    1977-01-01

    The near-ultraviolet absorption spectrum of chlorine nitrite (ClONO) has been quantitatively investigated over the wavelength range 230-400 nm at 231 K. An absorption maximum was observed at 290 nm with a cross section of 1.5 by 10 to the -18th power sq cm. The calculated lifetime against photodissociation for ClONO in the atmosphere is 2 to 3 minutes. The large photolysis rate indicates that ClONO does not play a significant role in the stratosphere as a temporary holding tank for chlorine.

  10. SPECTRAL RELATIVE ABSORPTION DIFFERENCE METHOD

    SciTech Connect

    Salaymeh, S.

    2010-06-17

    When analyzing field data, the uncertainty in the background continuum emission produces the majority of error in the final gamma-source analysis. The background emission typically dominates an observed spectrum in terms of counts and is highly variable spatially and temporally. The majority of the spectral shape of the background continuum is produced by combinations of cosmic rays, {sup 40}K, {sup 235}U, and {sup 220}Rn, and the continuum is similar in shape to the 15%-20% level for most field observations. However, the goal of spectroscopy analysis is to pick up subtle peaks (<%5) upon this large background. Because the continuum is falling off as energy increases, peak detection algorithms must first define the background surrounding the peak. This definition is difficult when the range of background shapes is considered. The full spectral template matching algorithms are heavily weighted to solving for the background continuum as it produces significant counts over much of the energy range. The most appropriate background mitigation technique is to take a separate background observation without the source of interest. But, it is frequently not possible to record a background observation in the exact location before (or after) a source has been detected. Thus, one uses approximate backgrounds that rely on spatially nearby locations or similar environments. Since the error in many field observations is dominated by the background, a technique that is less sensitive to the background would be quite beneficial. We report the result of an initial investigation into a novel observation scheme for gamma-emission detection in high background environments. Employing low resolution, NaI, detectors, we examine the different between the direct emission and the 'spectral-shadow' that the gamma emission produces when passed through a thin absorber. For this detection scheme to be competitive, it is required to count and analyze individual gamma-events. We describe the

  11. Giant many-body effects in liquid ammonia absorption spectrum.

    PubMed

    Ziaei, Vafa; Bredow, Thomas

    2016-11-07

    In the present work, we accurately calculate the absorption spectrum of liquid ammonia up to 13 eV using many-body perturbation approach. The electronic bandgap of liquid NH3 is perfectly described as the combination of density functional theory, Coulomb-hole screened exchange, and G0W0 approximation to the electronic self-energy, yielding a direct gap (Γ → Γ) of 7.71 eV, fully consistent with the experimentally measured gap from photo-emission spectroscopy. With respect to the NH3 optical properties, the entire spectrum in particular the low lying first absorption band is extremely affected by electron-hole interactions, leading to a fundamental redistribution of spectral weights of the independent-particle spectrum. Three well separated but broad main peaks are identified at 7.0, 9.8, and 11.8 eV with steadily increasing intensities in excellent agreement with the experimental data. Furthermore, we observe a giant net blue-shift of the first absorption peak of about 1.4 eV from gaseous to liquid phase as the direct consequence of many-body effects, allowing the associated liquid ammonia absorption band exciton to delocalize and feel more effectively the repulsion effects imposed by the surrounding solvent shells. Further, the spectrum is insensitive to the coupling of resonant and anti-resonant contributions. Concerning electronic response structure of liquid NH3, it is most sensitive to excitations at energies lower than its electronic gap.

  12. Quantitative photoacoustic measurement of tissue optical absorption spectrum aided by an optical contrast agent.

    PubMed

    Rajian, Justin Rajesh; Carson, Paul L; Wang, Xueding

    2009-03-16

    In photoacoustic imaging, the intensity of photoacoustic signal induced by optical absorption in biological tissue is proportional to light energy deposition, which is the product of the absorption coefficient and the local light fluence. Because tissue optical properties are highly dependent on the wavelength, the spectrum of the local light fluence at a target tissue beneath the sample surface is different than the spectrum of the incident light fluence. Therefore, quantifying the tissue optical absorption spectrum by using a photoacoustic technique is not feasible without the knowledge of the local light fluence. In this work, a highly accurate photoacoustic measurement of the subsurface tissue optical absorption spectrum has been achieved for the first time by introducing an extrinsic optical contrast agent with known optical properties. From the photoacoustic measurements with and without the contrast agent, a quantified measurement of the chromophore absorption spectrum can be realized in a strongly scattering medium. Experiments on micro-flow vessels containing fresh canine blood buried in phantoms and chicken breast tissues were carried out in a wavelength range from 680 nm to 950 nm. Spectroscopic photoacoustic measurements of both oxygenated and deoxygenated blood specimens presented an improved match with the references when employing this technique.

  13. Reconstruction of absolute absorption spectrum of reduced heme a in cytochrome C oxidase from bovine heart.

    PubMed

    Dyuba, A V; Vygodina, T V; Konstantinov, A A

    2013-12-01

    This paper presents a new experimental approach for determining the individual optical characteristics of reduced heme a in bovine heart cytochrome c oxidase starting from a small selective shift of the heme a absorption spectrum induced by calcium ions. The difference spectrum induced by Ca2+ corresponds actually to a first derivative (differential) of the heme a(2+) absolute absorption spectrum. Such an absolute spectrum was obtained for the mixed-valence cyanide complex of cytochrome oxidase (a(2+)a3(3+)-CN) and was subsequently used as a basis spectrum for further procession and modeling. The individual absorption spectrum of the reduced heme a in the Soret region was reconstructed as the integral of the difference spectrum induced by addition of Ca2+. The spectrum of heme a(2+) in the Soret region obtained in this way is characterized by a peak with a maximum at 447 nm and half-width of 17 nm and can be decomposed into two Gaussians with maxima at 442 and 451 nm and half-widths of ~10 nm (589 cm(-1)) corresponding to the perpendicularly oriented electronic π→π* transitions B0x and B0y in the porphyrin ring. The reconstructed spectrum in the Soret band differs significantly from the "classical" absorption spectrum of heme a(2+) originally described by Vanneste (Vanneste, W. H. (1966) Biochemistry, 65, 838-848). The differences indicate that the overall γ-band of heme a(2+) in cytochrome oxidase contains in addition to the B0x and B0y transitions extra components that are not sensitive to calcium ions, or, alternatively, that the Vanneste's spectrum of heme a(2+) contains significant contribution from heme a3(2+). The reconstructed absorption band of heme a(2+) in the α-band with maximum at 605 nm and half-width of 18 nm (850 cm(-1)) corresponds most likely to the individual Q0y transition of heme a, whereas the Q0x transition contributes only weakly to the spectrum.

  14. A new class of absorption feature in Io's near-infrared spectrum

    NASA Technical Reports Server (NTRS)

    Trafton, L. M.; Lester, D. F.; Ramseyer, T. F.; Salama, F.; Sandford, S. A.; Allamandola, L. J.

    1991-01-01

    A relatively weak IR absorption feature detected at 1200 resolving power in Io at 2.1253 microns does not correspond to any gas- or solid-phase absorption expected on the basis of previously identified Io surface constituents. The source material of the feature appears to be stable and more uniformly distributed in longitude than Io's hot spots. These characteristics imply the feature's participation in a class different from those of other Io absorption spectrum features, thereby potentially serving as a major indicator of Io's atmosphere-surface composition and interactions. Results of laboratory experiments with plausible surface ices are compared with these observations.

  15. The UV/Vis absorption spectrum of matrix-isolated dichlorine peroxide, ClOOCl.

    PubMed

    von Hobe, Marc; Stroh, Fred; Beckers, Helmut; Benter, Thorsten; Willner, Helge

    2009-03-14

    UV/Vis absorption spectra of ClOOCl isolated in neon matrices were measured in the wavelength range 220-400 nm. The purity of the trapped samples was checked by infrared and UV/Vis matrix spectroscopy as well as low-temperature Raman spectroscopy. At wavelengths below 290 nm, the results agree with the UV spectrum recently published by Pope et al. [J. Phys. Chem. A, 2007, 111, 4322-4332]. However, the observed absorption in the long wavelength tail of the spectrum-relevant for polar stratospheric ozone loss-is substantially higher than reported by Pope et al. Our results suggest the existence of a ClOOCl electronic state manifold leading to an absorption band similar to those of the near UV spectrum of Cl(2). The differences to previous studies can be accounted for quantitatively by contributions to the reported absorption spectra caused by impurities. The observed band in the long wavelength tail is supported by several high-level ab initio calculations. However, questions arise concerning absolute values of the ClOOCl cross sections, an issue that needs to be revisited in future studies. With calculated photolysis rates based on our spectrum scaled to previous cross sections at the peak absorption, the known polar catalytic ozone-destruction cycles to a large extent account for the observed ozone depletion in the spring polar stratosphere.

  16. Terahertz absorption spectrum of D 2O vapor

    NASA Astrophysics Data System (ADS)

    Yu, B. L.; Yang, Y.; Zeng, F.; Xin, X.; Alfano, R. R.

    2006-02-01

    The absorption spectrum of D2O vapor from 0.2 to 2.0 THz (6.7-67 cm-1) which is associated with rotational modes was measured at one atmosphere using terahertz time-domain spectroscopy (THz-TDS). The linewidth and collisional dephasing times were measured for 26 pure rotational transitions in the ground vibrational state (0 0 0). The temperature dependence of the linewidth (Δν) behaves as Δν ∼ T-3/4 and the linewidth decrease with increasing temperature is attributed to the 1/r6 force of interaction between colliding D2O molecules.

  17. [Research on VOC concentration detection by photoelastic modulation infrared spectrum absorption method].

    PubMed

    Hu, Miao; Wang, Tai-yong; Qiao, Zhi-feng; Geng, Bo; Xiao, Xin-hua

    2011-12-01

    In order to ensure high stability and strong anti-interference ability in static interference system for qualitative and quantitative analysis of gas, a static scans interference detection system was designed based on photoelastic modulation infrared spectrum absorption system. The system consists of infrared laser, polarizer, photoelastic modulator, polarization analyzer and CCD components. By photoelastic modulator the principal refractive index of optical crystal will change cyclically by the modulation signal, producing cyclical changes in the optical path difference. With the calculation of modulation phase variation, the authors can get the function of the crystal length, the modulation cycle, and the range of optical path difference. Based on phase delay value and the energy distribution of interference pattern, the authors got the formula for the corresponding interference light intensity. The experiment used ZnSe crystal as the photoelastic modulation crystal, the polarizer uses the DOP3212 polarizer, and the detector uses the TCD5390AP array CCD. The five groups have different concentrations with three common VOC gases (formaldehyde, benzene and xylene) for detecting the concentrations of gases. The experimental results with the traditional infrared absorption were compared with the test results of photoelastic modulation infrared spectrum absorption method. The method of photoelastic modulation infrared spectrum absorption had high stability and real-time features, while the detection accuracy is better than the traditional infrared absorption method.

  18. Ab initio calculation of the electronic absorption spectrum of liquid water

    SciTech Connect

    Martiniano, Hugo F. M. C.; Galamba, Nuno; Cabral, Benedito J. Costa

    2014-04-28

    The electronic absorption spectrum of liquid water was investigated by coupling a one-body energy decomposition scheme to configurations generated by classical and Born-Oppenheimer Molecular Dynamics (BOMD). A Frenkel exciton Hamiltonian formalism was adopted and the excitation energies in the liquid phase were calculated with the equation of motion coupled cluster with single and double excitations method. Molecular dynamics configurations were generated by different approaches. Classical MD were carried out with the TIP4P-Ew and AMOEBA force fields. The BLYP and BLYP-D3 exchange-correlation functionals were used in BOMD. Theoretical and experimental results for the electronic absorption spectrum of liquid water are in good agreement. Emphasis is placed on the relationship between the structure of liquid water predicted by the different models and the electronic absorption spectrum. The theoretical gas to liquid phase blue-shift of the peak positions of the electronic absorption spectrum is in good agreement with experiment. The overall shift is determined by a competition between the O–H stretching of the water monomer in liquid water that leads to a red-shift and polarization effects that induce a blue-shift. The results illustrate the importance of coupling many-body energy decomposition schemes to molecular dynamics configurations to carry out ab initio calculations of the electronic properties in liquid phase.

  19. Ab initio calculation of the electronic absorption spectrum of liquid water.

    PubMed

    Martiniano, Hugo F M C; Galamba, Nuno; Cabral, Benedito J Costa

    2014-04-28

    The electronic absorption spectrum of liquid water was investigated by coupling a one-body energy decomposition scheme to configurations generated by classical and Born-Oppenheimer Molecular Dynamics (BOMD). A Frenkel exciton Hamiltonian formalism was adopted and the excitation energies in the liquid phase were calculated with the equation of motion coupled cluster with single and double excitations method. Molecular dynamics configurations were generated by different approaches. Classical MD were carried out with the TIP4P-Ew and AMOEBA force fields. The BLYP and BLYP-D3 exchange-correlation functionals were used in BOMD. Theoretical and experimental results for the electronic absorption spectrum of liquid water are in good agreement. Emphasis is placed on the relationship between the structure of liquid water predicted by the different models and the electronic absorption spectrum. The theoretical gas to liquid phase blue-shift of the peak positions of the electronic absorption spectrum is in good agreement with experiment. The overall shift is determined by a competition between the O-H stretching of the water monomer in liquid water that leads to a red-shift and polarization effects that induce a blue-shift. The results illustrate the importance of coupling many-body energy decomposition schemes to molecular dynamics configurations to carry out ab initio calculations of the electronic properties in liquid phase.

  20. Ab initio calculation of the electronic absorption spectrum of liquid water

    NASA Astrophysics Data System (ADS)

    Martiniano, Hugo F. M. C.; Galamba, Nuno; Cabral, Benedito J. Costa

    2014-04-01

    The electronic absorption spectrum of liquid water was investigated by coupling a one-body energy decomposition scheme to configurations generated by classical and Born-Oppenheimer Molecular Dynamics (BOMD). A Frenkel exciton Hamiltonian formalism was adopted and the excitation energies in the liquid phase were calculated with the equation of motion coupled cluster with single and double excitations method. Molecular dynamics configurations were generated by different approaches. Classical MD were carried out with the TIP4P-Ew and AMOEBA force fields. The BLYP and BLYP-D3 exchange-correlation functionals were used in BOMD. Theoretical and experimental results for the electronic absorption spectrum of liquid water are in good agreement. Emphasis is placed on the relationship between the structure of liquid water predicted by the different models and the electronic absorption spectrum. The theoretical gas to liquid phase blue-shift of the peak positions of the electronic absorption spectrum is in good agreement with experiment. The overall shift is determined by a competition between the O-H stretching of the water monomer in liquid water that leads to a red-shift and polarization effects that induce a blue-shift. The results illustrate the importance of coupling many-body energy decomposition schemes to molecular dynamics configurations to carry out ab initio calculations of the electronic properties in liquid phase.

  1. THE VISIBILITY OF MONOCHROMATIC RADIATION AND THE ABSORPTION SPECTRUM OF VISUAL PURPLE

    PubMed Central

    Hecht, Selig; Williams, Robert E.

    1922-01-01

    1. After a consideration of the existing data and of the sources of error involved, an arrangement of apparatus, free from these errors, is described for measuring the relative energy necessary in different portions of the spectrum in order to produce a colorless sensation in the eye. 2. Following certain reasoning, it is shown that the reciprocal of this relative energy at any wave-length is proportional to the absorption coefficient of a sensitive substance in the eye. The absorption spectrum of this substance is then mapped out. 3. The curve representing the visibility of the spectrum at very low intensities has exactly the same shape as that for the visibility at high intensities involving color vision. The only difference between them is their position in the spectrum, that at high intensities being 48 µµ farther toward the red. 4. The possibility is considered that the sensitive substances responsible for the two visibility curves are identical, and reasons are developed for the failure to demonstrate optically the presence of a colored substance in the cones. The shift of the high intensity visibility curve toward the red is explained in terms of Kundt's rule for the progressive shift of the absorption maximum of a substance in solvents of increasing refractive index and density. 5. Assuming Kundt's rule, it is deduced that the absorption spectrum of visual purple as measured directly in water solution should not coincide with its position in the rods, because of the greater density and refractive index of the rods. It is then shown that, measured by the position of the visibility curve at low intensities, this shift toward the red actually occurs, and is about 7 or 8 µµ in extent. Examination of the older data consistently confirms this difference of position between the curves representing visibility at low intensities and those representing the absorption spectrum of visual purple in water solution. 6. It is therefore held as a possible hypothesis

  2. The widetilde{A}←widetilde{X} ABSORPTION SPECTRUM OF 2-NITROOXYBUTYL PEROXY RADICAL

    NASA Astrophysics Data System (ADS)

    Eddingsaas, Nathan; Takematsu, Kana; Okumura, Mitchio

    2009-06-01

    The nitrate radical is an important atmospheric oxidant in the nighttime sky. Nitrate radicals react by addition to alkenes, and in the presence of oxygen form nitrooxyalkyl peroxy radicals. The peroxy radical formed from the reaction of 2-butene, nitrate radical, and oxygen was detected by cavity ringdown spectroscopy (CRDS) via its widetilde{A}←widetilde{X} electronic absorption spectrum. The widetilde{A}←widetilde{X} electronic transition is a bound-bound transition with enough structure to distinguish between different peroxy radicals as well as different conformers of the same peroxy radical. Two conformers of the nitrooxybutyl peroxy radical have been observed; the absorption features are red shifted from the same absorption features of sec-butyl peroxy radical. Calculations on the structure of nitrooxyalkyl peroxy radicals and general trends of the position of the widetilde{A}←widetilde{X} absorption transitions have also been performed and compared to those of unsubstituted peroxy radicals.

  3. Absolute Ultraviolet Absorption Spectrum of a Criegee Intermediate CH2OO.

    PubMed

    Sheps, Leonid

    2013-12-19

    We present the time-resolved UV absorption spectrum of the B̃ ((1)A') ← X̃ ((1)A') electronic transition of formaldehyde oxide, CH2OO, produced by the reaction of CH2I radicals with O2. In contrast to its UV photodissociation action spectrum, the absorption spectrum of formaldehyde oxide extends to longer wavelengths and exhibits resolved vibrational structure on its low-energy side. Chemical kinetics measurements of its reactivity establish the identity of the absorbing species as CH2OO. Separate measurements of the initial CH2I radical concentration allow a determination of the absolute absorption cross section of CH2OO, with the value at the peak of the absorption band, 355 nm, of σabs = (3.6 ± 0.9) × 10(-17) cm(2). The difference between the absorption and action spectra likely arises from excitation to long-lived B̃ ((1)A') vibrational states that relax to lower electronic states by fluorescence or nonradiative processes, rather than by photodissociation.

  4. Research on filling process of fuel and oxidant during detonation based on absorption spectrum technology

    NASA Astrophysics Data System (ADS)

    Lv, Xiao-Jing; Li, Ning; Weng, Chun-Sheng

    2014-12-01

    Research on detonation process is of great significance for the control optimization of pulse detonation engine. Based on absorption spectrum technology, the filling process of fresh fuel and oxidant during detonation is researched. As one of the most important products, H2O is selected as the target of detonation diagnosis. Fiber distributed detonation test system is designed to enable the detonation diagnosis under adverse conditions in detonation process. The test system is verified to be reliable. Laser signals at different working frequency (5Hz, 10Hz and 20Hz) are detected. Change of relative laser intensity in one detonation circle is analyzed. The duration of filling process is inferred from the change of laser intensity, which is about 100~110ms. The peak of absorption spectrum is used to present the concentration of H2O during the filling process of fresh fuel and oxidant. Absorption spectrum is calculated, and the change of absorption peak is analyzed. Duration of filling process calculated with absorption peak consisted with the result inferred from the change of relative laser intensity. The pulse detonation engine worked normally and obtained the maximum thrust at 10Hz under experiment conditions. The results are verified through H2O gas concentration monitoring during detonation.

  5. The energy spectrum and the optical absorption spectrum of C{sub 60} fullerene within the Hubbard model

    SciTech Connect

    Silant’ev, A. V.

    2015-10-15

    Anticommutator Green’s functions and the energy spectrum of C{sub 60} fullerene are calculated in the approximation of static fluctuations within the Hubbard model. On the basis of this spectrum, an interpretation is proposed for the experimentally observed optical absorption bands of C{sub 60} fullerene. The parameters of C{sub 60} fullerene that characterize it within the Hubbard model are calculated by the optical absorption spectrum.

  6. [Effects of LED spectrum combinations on the absorption of mineral elements of hydroponic lettuce].

    PubMed

    Chen, Xiao-Li; Guo, Wen-Zhong; Xue, Xu-Zhang; Mmanake Beauty, Morewane

    2014-05-01

    Lettuce (Lactuca sativa) was hydroponically cultured in a completely enclosed plant factory, in which spectrum proportion-adjustable LED panels were used as sole light source for plant growth. Absorption and content of eleven mineral elements such as K, P, Ca, Mg, Na, Fe, Mn, Zn, Cu, B and Mo in Lactuca sativa under different spectral component conditions were studied by ICP -AES technology. The results showed that: (1) Single or combined spectrums corresponding to the absorbing peaks of chlorophyll a and b (450, 660 nm) could enhance the absorbing ability of roots especially for mineral elements Na, Fe, Mn, Cu and Mo, the single red spectrum had the most significant promoting effect under which contents of those four elements were respectively 7. 8, 4. 2, 4. 0 and 3. 7 times more than that under FL; (2) Absorption of K and B was the highest under FL which was 10. 309 mg g-1 and 32. 6 microg g-1 while the values decreased significantly under single or combined spectrum of red and blue; (3) Plants grown under single blue spectrum had the lowest absorption of Ca and Mg which respectively decreased by 35% and 33% than FL; (4) Lettuce grown under the spectrum combination of 30% blue and 70% red had the highest accumulations of biomass while those grown under 20% blue and 80% red had the highest accumulations of the following seven elements Ca, Mg, Na, Fe, Mn, Zn and B. The results provided theoretical basis for adjusting nutrient solution formula and selecting light spectrum of hydroponic lettuce.

  7. Absorption line profiles in a companion spectrum of a mass losing cool supergiant

    NASA Technical Reports Server (NTRS)

    Rodrigues, Liliya L.; Boehm-Vitense, Erika

    1990-01-01

    Cool star winds can best be observed in resonance absorption lines seen in the spectrum of a hot companion, due to the wind passing in front of the blue star. We calculated absorption line profiles that would be seen in the ultraviolet part of the blue companion spectrum. Line profiles are derived for different radial dependences of the cool star wind and for different orbital phases of the binary. Bowen and Wilson find theoretically that stellar pulsations drive mass loss. We therefore apply our calculations to the Cepheid binary S Muscae which has a B5V companion. We find an upper limit for the Cepheid mass loss of M less than or equal to 7 x 10(exp -10) solar mass per year provided that the stellar wind of the companion does not influence the Cepheid wind at large distances.

  8. Measurement and analysis of the far infrared absorption spectrum of the gaseous mixture H2-CH4

    NASA Technical Reports Server (NTRS)

    Birnbaum, George; Borysow, Aleksandra; Sutter, Herbert G.

    1987-01-01

    The collision-induced absorption of H2-CH4 mixtures was measured from 20 to 900/cm at 195 and 297 K. By subtracting the absorption due to H2-H2 and CH4-CH4 collisions from that of the mixture, the absorption due to H2-CH4 collisions was obtained. This spectrum was analyzed using the BC model line shape to provide a way of estimating the far-IR spectrum of H2-CH4 for various concentrations of H2 and CH4. Theoretical spectral moments were computed with different potential functions and compared with experimental values.

  9. [Decomposition of hemoglobin UV absorption spectrum into absorption spectra of prosthetic group and apoprotein by means of an additive model].

    PubMed

    Lavrinenko, I A; Vashanov, G A; Artyukhov, V G

    2015-01-01

    The decomposition pathways of hemoglobin UV absorption spectrum into the absorption spectra of the protein and non-protein components are proposed and substantiated by means of an additive model. We have established that the heme component has an absorption band with a maximum at λ(max) = 269.2 nm (ε = 97163) and the apoprotein component has an absorption band with a maximum at λ(max) = 278.4 nm (ε = 48669) for the wavelength range from 240.0 to 320.0 nm. An integral relative proportion of absorption for the heme fraction (78.8%) and apoprotein (21.2%) in the investigating wavelength range is defined.

  10. Interstellar absorption lines in the spectrum of Gamma Velorum

    NASA Technical Reports Server (NTRS)

    Morton, D. C.; Bhavsar, S. P.

    1979-01-01

    Copernicus scans of selected interstellar absorption lines in the UV spectrum of Gamma Vel are analyzed, together with ground-based data, to obtain column densities for various ion states of C, N, O, Na, Mg, Al, Si, P, S, Cl, Ar, Ca, Mn, Fe, and CO. N I and O I are fitted to a single empirical curve of growth with a velocity parameter (b) of 8 km/s; Mg II, Si II, P II, S II, Mn II, and Fe II are fitted to another curve with b between 3 and 9 km/s. Abundance determinations relative to H I show that: (1) C, N, P, S, and Ar are probably close to their solar values; (2) O may be depleted by about a factor of 2; (3) Mg, Al, Si, Cl, Mn, and Fe are depleted by a factor of 4 or more: (4) Al is depleted by at least a factor of 10 in the H II region; and (5) both N V and O VI are present, but not C IV. The N V/O VI ratio implies that the electron temperature in the H II region is about 275,000 K.

  11. Infrared Absorption Spectrum of Matrix-Isolated Phenanthrene

    NASA Astrophysics Data System (ADS)

    Zhang, Xu; Stanley P. Sander

    2016-10-01

    The far-to-mid Infrared absorption spectrum of phenanthrene (C14H10), one of the polycyclic aromatic hydrocarbons (PAHs), has been measured in an argon matrix at 5 K. Thirty two fundamental bands for phenanthrene have been observed; one of them is detected for the first time (v54 = 1398.0 cm-1) and eight of them are detected for the first time at temperatures below room temperature (v43 = 233.8 cm-1, v42 = 425.2 cm-1, v66 = 441.6 cm-1, v65 = 499.0 cm-1, v21 = 546.3 cm-1, v63 = 714.5 cm-1, v18 = 1033.7 cm-1 and v55 = 1362.5 cm-1). The relative intensities of these 32 bands have been measured; three ( v21, v18, v54) of which are measured for the first time and six ( v43, v42, v66, v65, v63, and v55) of which are measured for the first time at temperatures below room temperature. Our low temperature study of the vibrational bands for phenanthrene provides important information for the spectral analysis of the Composite Infrared Spectrometer (CIRS) aboard the Cassini Spacecraft.

  12. Absorption spectrum of Pb I between 1350 and 2041 A

    NASA Technical Reports Server (NTRS)

    Brown, C. M.; Tilford, S. G.; Ginter, M. L.

    1977-01-01

    The high resolution absorption spectrum of Pb I is reported between 1350 and 2041 A. Transitions are observed from the 6p2 (1/2,1/2)0, (3/2,1/2)1, and (3/2,1/2)2 levels to levels with J less than or equal to 2 associated with 6pns and 6pnd configurations. Energy levels have been determined with n(asterisk) values as high as 74. More than 500 spectral features and 370 odd parity energy levels are reported, a major part of which are new. These observations include five electric quadrupole transitions and 31 nuclear-spin-induced transitions from the Pb-207 isotope. Ionization limits of 59819.57 per cm and 73900.64 per cm have been determined for levels converging on the 6p 2P(1/2)O and 6p 2P(3/2)O levels of Pb II, respectively. An analysis of these data in terms of Lu-Fano graphical methods and multichannel quantum defect parametrization also is presented.

  13. Strong water absorption in the dayside emission spectrum of the planet HD 189733b.

    PubMed

    Grillmair, Carl J; Burrows, Adam; Charbonneau, David; Armus, Lee; Stauffer, John; Meadows, Victoria; van Cleve, Jeffrey; von Braun, Kaspar; Levine, Deborah

    2008-12-11

    Recent observations of the extrasolar planet HD 189733b did not reveal the presence of water in the emission spectrum of the planet. Yet models of such 'hot-Jupiter' planets predict an abundance of atmospheric water vapour. Validating and constraining these models is crucial to understanding the physics and chemistry of planetary atmospheres in extreme environments. Indications of the presence of water in the atmosphere of HD 189733b have recently been found in transmission spectra, where the planet's atmosphere selectively absorbs the light of the parent star, and in broadband photometry. Here we report the detection of strong water absorption in a high-signal-to-noise, mid-infrared emission spectrum of the planet itself. We find both a strong downturn in the flux ratio below 10 microm and discrete spectral features that are characteristic of strong absorption by water vapour. The differences between these and previous observations are significant and admit the possibility that predicted planetary-scale dynamical weather structures may alter the emission spectrum over time. Models that match the observed spectrum and the broadband photometry suggest that heat redistribution from the dayside to the nightside is weak. Reconciling this with the high nightside temperature will require a better understanding of atmospheric circulation or possible additional energy sources.

  14. The ultraviolet absorption spectrum of the quasar H1821+643 (z = 0.297)

    NASA Technical Reports Server (NTRS)

    Bahcall, John N.; Jannuzi, Buell T.; Schneider, Donald P.; Hartig, George F.; Green, Richard F.

    1992-01-01

    High resolution UV observations of the nearby luminous quasar H1821+643 are reported. A complete sample of 38 absorption lines has been constructed. There are five strong extragalactic Ly-alpha absorption lines in the spectrum, all with observed equivalent widths greater than 0.45 A. The local number density of Ly-alpha systems with rest equivalent widths larger than 0.32 A is estimated to be 13 +/- 5 Ly-alpha lines per unit redshift. Some of the Ly-alpha systems with redshifts significantly different from the quasar appear to be associated with galaxies or with clusters of galaxies. Two of the Ly-alpha lines have the same redshift within 400 km/s as that of an emission-line galaxy located at a projected separation from the quasar of about 90 kpc. One of the Ly-alpha systems in H1821+643 occurs at an a absorption redshift approximately equal to the emission-line redshift of the quasar and is accompanied by absorption from the C IV and of VI doublets; this is an example of associated absorption for large-redshift quasars.

  15. Ultraviolet absorption spectrum of chlorine peroxide, ClOOCl.

    PubMed

    Pope, Francis D; Hansen, Jaron C; Bayes, Kyle D; Friedl, Randall R; Sander, Stanley P

    2007-05-24

    The photolysis of chlorine peroxide (ClOOCl) is understood to be a key step in the destruction of polar stratospheric ozone. This study generated and purified ClOOCl in a novel fashion, which resulted in spectra with low impurity levels and high peak absorbances. The ClOOCl was generated by laser photolysis of Cl2 in the presence of ozone, or by photolysis of ozone in the presence of CF2Cl2. The product ClOOCl was collected, along with small amounts of impurities, in a trap at about -125 degrees C. Gas-phase ultraviolet spectra were recorded using a long path cell and spectrograph/diode array detector as the trap was slowly warmed. The spectrum of ClOOCl could be fit with two Gaussian-like expressions, corresponding to two different electronic transitions, having similar energies but different widths. The energies and band strengths of these two transitions compare favorably with previous ab initio calculations. The cross sections of ClOOCl at wavelengths longer than 300 nm are significantly lower than all previous measurements or estimates. These low cross sections in the photolytically active region of the solar spectrum result in a rate of photolysis of ClOOCl in the stratosphere that is much lower than currently recommended. For conditions representative of the polar vortex (solar zenith angle of 86 degrees, 20 km altitude, and O3 and temperature profiles measured in March 2000) calculated photolysis rates are a factor of 6 lower than the current JPL/NASA recommendation. This large discrepancy calls into question the completeness of present atmospheric models of polar ozone depletion.

  16. Understanding the Two-Photon Absorption Spectrum of PE2 Platinum Acetylide Complex

    DTIC Science & Technology

    2014-07-09

    AFRL-RX-WP-JA-2014-0188 UNDERSTANDING THE TWO-PHOTON ABSORPTION SPECTRUM OF PE2 PLATINUM ACETYLIDE COMPLEX (POSTPRINT) Thomas M...UNDERSTANDING THE TWO-PHOTON ABSORPTION SPECTRUM OF PE2 PLATINUM ACETYLIDE COMPLEX (POSTPRINT) 5a. CONTRACT NUMBER In-House 5b. GRANT NUMBER...on the two-absorption crosssection spectrum of trans-Pt(PBu3)2 (C≡C−C6H4−C≡C−C6H5)2 (PE2) platinum acetylide complex employing the femtosecond

  17. UV absorption spectrum and photodissociation channels of the simplest Criegee intermediate (CH2OO).

    PubMed

    Dawes, Richard; Jiang, Bin; Guo, Hua

    2015-01-14

    The lowest-lying singlet states of the simplest Criegee intermediate (CH2OO) have been characterized along the O-O dissociation coordinate using explicitly correlated MRCI-F12 electronic structure theory and large active spaces. It is found that a high-level treatment of dynamic electron-correlation is essential to accurately describe these states. A significant well on the B-state is identified at the MRCI-F12 level with an equilibrium structure that differs substantially from that of the ground X-state. This well is presumably responsible for the apparent vibrational structure in some experimental UV absorption spectra, analogous to the structured Huggins band of the iso-electronic ozone. The B-state potential in the Franck-Condon region is sufficiently accurate that an absorption spectrum calculated with a one-dimensional model agrees remarkably well with experiment.

  18. Investigations on the 1.7 micron residual absorption feature in the vegetation reflection spectrum

    NASA Technical Reports Server (NTRS)

    Verdebout, J.; Jacquemoud, S.; Andreoli, G.; Hosgood, B.; Sieber, A.

    1993-01-01

    The detection and interpretation of the weak absorption features associated with the biochemical components of vegetation is of great potential interest to a variety of applications ranging from classification to global change studies. This recent subject is also challenging because the spectral signature of the biochemicals is only detectable as a small distortion of the infrared spectrum which is mainly governed by water. Furthermore, the interpretation is complicated by complexity of the molecules (lignin, cellulose, starch, proteins) which contain a large number of different and common chemical bonds. In this paper, we present investigations on the absorption feature centered at 1.7 micron; these were conducted both on AVIRIS data and laboratory reflectance spectra of leaves.

  19. Absorption spectrum and absolute absorption cross sections of CH3O2 radicals and CH3I molecules in the wavelength range 7473-7497 cm(-1).

    PubMed

    Faragó, Eszter P; Viskolcz, Bela; Schoemaecker, Coralie; Fittschen, Christa

    2013-12-05

    The absorption spectrum of CH3O2 radicals and CH3I molecules has been measured in the range 7473-7497 cm(-1). CH3O2 radicals have been generated by 248 nm laser photolysis of CH3I in the presence of O2, and the relative absorption has been measured by time-resolved continuous-wave cavity ring-down spectroscopy (cw-CRDS). Calibration of the relative absorption spectrum has been carried out on three distinct wavelengths by carefully measuring CH3O2 decays under different experimental conditions and extracting the initial radical concentration (and with this the absolute absorption cross sections) by using the well-known rate constant for the CH3O2 self-reaction. The following, pressure-independent absorption cross sections were determined: 3.41 × 10(-20), 3.40 × 10(-20), and 2.11 × 10(-20) cm(2) at 7748.18, 7489.16, and 7493.33 cm(-1). These values are 2-3 times higher than previous determinations ( Pushkarsky, M. B.; Zalyubovsky, S. J.; Miller, T. A. J. Chem. Phys. 2000, 112 (24), 10695 - 10698 and Atkinson, D. B.; Spillman, J. L. J. Phys. Chem. A 2002, 106 (38), 8891 - 8902). The absorption spectrum of the stable precursor CH3I has also been determined and three characteristic sharp absorption lines with absorption cross sections up to 2 × 10(-21) cm(2) have been observed in this wavelength range.

  20. Ultraviolet absorption spectrum of hydrogen peroxide vapor. [for atmospheric abundances

    NASA Technical Reports Server (NTRS)

    Molina, L. T.; Schinke, S. D.; Molina, M. J.

    1977-01-01

    The ultraviolet absorption cross sections of hydrogen peroxide vapor have been determined over the wavelength range 210 to 350 nm at 296 K. At the longer wavelengths, the gas phase absorptivities are significantly larger than the corresponding values in condensed phase. The atmospheric H2O2 photodissociation rate for overhead sun at the earth's surface is estimated to be about 1.3 x 10 to the -5th/sec.

  1. Cesium Absorption Spectrum Perturbed by Argon: Observation of Non-Lorentzian Wing Properties

    DTIC Science & Technology

    2012-03-01

    CESIUM ABSORPTION SPECTRUM PERTURBED BY ARGON : OBSERVATION OF NON-LORENTZIAN WING PROPERTIES THESIS Gordon E. Lott, Second Lieutenant, USAF AFIT...PERTURBED BY ARGON : OBSERVATION OF NON-LORENTZIAN WING PROPERTIES THESIS Presented to the Faculty Department of Engineering Physics Graduate School of...PUBLIC RELEASE; DISTRIBUTION UNLIMITED. AFIT / APPLPHY / ENP / 12-MOS CESIUM ABSORPTION SPECTRUM PERTURBED BY ARGON : OBSERVATION OF NON-LORENTZIAN

  2. Methane absorption variations in the spectrum of Pluto

    SciTech Connect

    Buie, M.W.; Fink, U.

    1987-06-01

    The lightcurve phases of 0.18, 0.35, 0.49, and 0.98 covered by 5600-10,500 A absolute spectrophotometry of Pluto during four nights include minimum (0.98) light and one near-maximum (0.49) light. The spectra are noted to exhibit significant methane band absorption depth variations at 6200, 7200, 7900, 8400, 8600, 8900, and 10,000 A, with the minimum absorption occurring at minimum light and thereby indicating a 30-percent change in the methane column abundance in the course of three days. An attempt is made to model this absorption strength variation with rotational phase terms of an isotropic surface distribution of methane frost and a clear layer of CH4 gas. 34 references.

  3. High resolution absorption spectrum of dianilino in the vapor phase.

    PubMed

    Bayrakçeken, Fuat

    2009-01-01

    Photophysical and photochemical properties of diradical in the first excited state is recorded for the very first time with the IR, band structure for dianilino molecule at room temperature, in the vapor phase. In this experiment high resolution absorption spectra of anilino free radical, dianilino, aniline in the vapor phase and silicon dioxide in the solid state were recorded by flash photolysis technique photographically. Silicon dioxide absorption band between 250 and 255 nm were also observed for the reaction cell, because the cell and windows of the cell material were spectrosilica grade fused quartz. And this absorption band also used as wavelength calibration for all the photoproducts formed in the reaction cell during optical pumping.

  4. Dynamic registration of D216O absorption spectrum in silica aerogel

    NASA Astrophysics Data System (ADS)

    Sinitsa, L.; Lavrentieva, N.; Lugovskoi, A.

    2014-09-01

    Absorption spectra of the gas phase and adsorbed D2О in the silica aerogel with nanoscale pores were investigated in 3700-5400 cm-1 range using dynamic registration with Fourier Transform spectrometer IFS-125M. Two types of sample with pores of 60 nm wide - the nitrogen gas-treated and untreated aerogels - were examined. The surface treatment of the sample changes noticeably the broadband absorption of adsorbed water. Spectrum of D2O in the pores differs from the spectrum of bulk water as for bandwidth so for band maximum. It was found that treatment of the pores by dry nitrogen leads to increasing hydrophilic properties of the material and to change water band contour. The D2О line widths in both the aerogels exceed those of free monomer in 1.1-3 times at the same pressure. Calculations of self-broadening coefficients of the D2O lines were performed using semi-empirical method based on the impact theory of broadening and includes the correction factors. The calculated results well agree with experimental data. Greater differences were found for the shift of the line centre. The D2O line shifts in the treated pores significantly exceed line shifts in the untreated pores. For some lines, these shifts have the opposite sign indicating complex nature of the molecule-wall interaction.

  5. Transient Absorption Spectroscopy of C1 and C2 Criegee Intermediates: UV Spectrum and Reaction Kinetics

    NASA Astrophysics Data System (ADS)

    Smith, M. C.; Chao, W.; Ting, A.; Chang, C. H.; Lin, L. C.; Takahashi, K.; Boering, K. A.; Lin, J. J. M.

    2015-12-01

    Atmospheric production and removal rates of Criegee intermediates produced in alkene ozonolysis must be understood to constrain the importance of these species in VOC oxidation and other processes. To estimate these rates, reliable detection methods and laboratory measurements of the UV absorption spectra and reaction kinetics of Criegee intermediates are needed. Here, transient absorption spectroscopy was used to directly measure the UV spectrum of the C2 Criegee intermediate CH3CHOO in a flow reactor at 295 K. The UV spectrum was scaled to the absolute absorption cross section at 308 nm determined by laser depletion measurements in a molecular beam, resulting in a peak UV cross section of (1.27±0.11) × 10-17 cm2 molecule-1 at 328 nm. This spectrum represents the absorption of the syn and anti conformers of CH3CHOO under near-atmospheric conditions, both of which contribute to CH3CHOO atmospheric removal due to UV photolysis. Transient UV absorption was also used to measure the kinetics of the reaction of the C1 Criegee intermediate CH2OO with water vapor at temperatures from 283 to 324 K. The observed CH2OO decay is quadratic with respect to the H2O concentration, indicating that reaction with water dimer is the primary process affecting CH2OO loss. The rate coefficient for the reaction of CH2OO with water dimer exhibits a strong negative temperature dependence with an Arrhenius activation energy of -8.1±0.6 kcal mol-1. The temperature dependence increases the effective loss rate for CH2OO (relative to 298 K) by a factor of ˜2.5 at 278 K and 70% relative humidity, and decreases the loss rate by a factor of ˜2 at 313 K and 30% humidity, which demonstrates that variations in reaction rate due to temperature differences should be included in estimates of Criegee intermediate removal via reactions with water dimer in the atmosphere.

  6. Ultraviolet absorption spectrum of methylhydroperoxide vapor. [in troposphere

    NASA Technical Reports Server (NTRS)

    Molina, M. J.; Arguello, G.

    1979-01-01

    The ultraviolet absorption cross sections of methylhydroperoxide, CH3OOH, have been measured over the wavelength range 210 nm to 350 nm at 294 K. It was concluded that solar photolysis is a dominant sink for tropospheric CH3OOH. For midlatitudes the photodissociation rate was estimated for 0 deg, for 30 deg, and for 70 deg zenith angles.

  7. Hybrid nanocone forests with high absorption in full-solar spectrum for solar cell applications

    NASA Astrophysics Data System (ADS)

    Yang, Yudong; Mao, Haiyang; Xiong, Jijun; Ming, Anjie; Wang, Weibing

    2016-11-01

    In this work, hybrid nanocone forests (HNFs) with high absorption in full-solar-spectrum are fabricated based on a plasma repolymerization technique. The HNFs combine light trapping effect of the nanocone forests with surface plasmon resonance effect of the metallic nanoparticles, thus can achieve an optimized absorption larger than 80% in the full-solar spectrum (i.e. 200-2500nm). Besides, with the hybrid nanostructures, the absorption decrease around the Si bandgap width can be narrowed greatly, while the normalized utilization efficiency of solar radiation can be increased. Therefore, usage of the HNFs as a texture structure in solar cells to obtain higher conversion efficiencies is foreseeable.

  8. The Absorption Spectrum of PKS 1756+237

    NASA Astrophysics Data System (ADS)

    Bauer, J. M.; Roth, K. C.; Jim, K. T. C.

    1998-05-01

    We are involved in a program to investigate the relationship between damped Lyalpha absorption systems and the interstellar medium of our own galaxy and nearby galaxies. This ultimately requires the proper identification of the systems responsible for the absorption so that a connection may be drawn between the absorption characteristics and the physical characteristics of the absorber, such as galaxy morphology, size, brightness, and separation from the QSO line of sight (see Jim & Roth, Kolhatkar et al., and Roth et al. also presenting here). PKS 1756+237 is a relatively bright QSO (m_V~18.0) with an emission redshift of z=1.721. There are two strong intervening absorption line systems at redshifts of 1.426 and 1.673. Both systems exhibit strong low-ionization lines, and so are believed to originate in the inner regions of galactic systems at some stage of formation. We obtained two hours of high quality HIRES spectra on the Keck 10m telescope for this QSO in May, 1997. The 6.5 km/s (0.09 Angstroms FWHM) resolution of this data is a ten-fold improvement over existing data, providing kinematic information as well as significantly improved column density measurements. Preliminary analysis of the data suggests the existence of significant Ni II abundance at z=1.67, possibly indicating a damped absorber system. The spectra cover the C II and Si II lines, enabling us to search for associated fine-structure excitation. These spectra also cover several additional low and high-ionization species from which we derive abundance and kinematic information. Images of this QSO, acquired at the UH 2.2m telescope using the QUIRC infrared and Tek2048 optical cameras with UH's tip-tilt system, show possible candidates for absorber systems.

  9. Temperature dependence of the ClONO2 UV absorption spectrum

    NASA Technical Reports Server (NTRS)

    Burkholder, James B.; Talukdar, Ranajit K.; Ravishankara, A. R.

    1994-01-01

    The temperature dependence of the ClONO2 absorption spectrum has been measured between 220 and 298 K and between 195 and 430 nm using a diode array spectrometer. The absorption cross sections were determined using both: (1) absolute pressure measurements at 296 K and (2) measurements at various temperatures relative to 296 K using a dual absorption cell arrangement. The temperature dependence of the ClONO2 absorption spectrum shows very broad structure. The amplitude of the temperature dependence relative to that at 296 K is weak at short wavelengths, less than 2% at 215 nm and 220 K, but significant at the wavelengths important in the stratosphere, about 30% at 325 nm and 220 K. Our ClONO2 absorption cross section data are in good general agreement with the previous measurements of Molina and Molina (1979).

  10. The ultraviolet absorption spectrum of CO - Applications to planetary atmospheres

    NASA Technical Reports Server (NTRS)

    White, H. P.; Hua, Xin-Min; Caldwell, J.; Chen, F. Z.; Judge, D. L.; Wu, C. Y. R.

    1993-01-01

    Laboratory gas-phase photoabsorption cross sections of the CO Cameron 0-0 band and the underlying pseudocontinuum have been measured at a temperature of 147 K and pressures of about 200 mbar, conditions similar to ambient in various planetary and satellite stratospheres in the solar system. A theoretical modeling program has also been used to calculate the band's spectrum. Agreement between the theoretical and the experimental spectra is very good. Models suggest that the observations of the CO Cameron band using the Hubble Space Telescope will be straightforward for Mars, but marginal for Titan.

  11. Method for improving terahertz band absorption spectrum measurement accuracy using noncontact sample thickness measurement.

    PubMed

    Li, Zhi; Zhang, Zhaohui; Zhao, Xiaoyan; Su, Haixia; Yan, Fang; Zhang, Han

    2012-07-10

    The terahertz absorption spectrum has a complex nonlinear relationship with sample thickness, which is normally measured mechanically with limited accuracy. As a result, the terahertz absorption spectrum is usually determined incorrectly. In this paper, an iterative algorithm is proposed to accurately determine sample thickness. This algorithm is independent of the initial value used and results in convergent calculations. Precision in sample thickness can be improved up to 0.1 μm. A more precise absorption spectrum can then be extracted. By comparing the proposed method with the traditional method based on mechanical thickness measurements, quantitative analysis experiments on a three-component amino acid mixture shows that the global error decreased from 0.0338 to 0.0301.

  12. Effects of color centers absorption on the spectrum of the temperature-dependent radiation-induced attenuation in fiber.

    PubMed

    Jin, Jing; Hou, Yunxia; Liu, Chunjing

    2015-02-01

    Spectra ranging from 800 to 1650 nm of the temperature-dependent radiation-induced attenuation (RIA) in the irradiated and sufficiently annealed fiber with germanium and phosphorous dopant has been measured. These RIA spectra were investigated based on the mechanism of color centers absorption. With the configurational coordinate model, these RIA spectra were decomposed by the absorption bands of three kinds of color centers. The effects of color centers absorption on the spectrum of temperature-dependent RIA is discussed by comparing the absorption intensity of different color centers at a same wavelength. Moreover, the temperature-dependent RIA of the fiber has been measured separately at 850, 1310, and 1550 nm. The measured results agreed well with the analysis of RIA spectra.

  13. Complex Resonance Absorption Structure in the X-Ray Spectrum of IRAS 13349+2438

    NASA Technical Reports Server (NTRS)

    Sako, M.; Kahn, S. M.; Behar, E.; Kaastra, J. S.; Brinkman, A. C.; Boller, Th.; Puchnarewicz, E. M.; Starling, R.; Liedahl, D. A.; Clavel, J.

    2000-01-01

    The luminous infrared-loud quasar IRAS 13349+2438 was observed with the XMM - Newton Observatory as part of the Performance Verification program. The spectrum obtained by the Reflection Grating Spectrometer (RGS) exhibits broad (FWHM - 1400 km/s) absorption lines from highly ionized elements including hydrogen- and helium-like carbon, nitrogen, oxygen, and neon, and several iron L - shell ions (Fe XVII - XX). Also shown in the spectrum is the first astrophysical detection of a broad absorption feature around lambda = 16 - 17 A identified as an unresolved transition array (UTA) of 2p - 3d inner-shell absorption by iron M-shell ions in a much cooler medium; a feature that might be misidentified as an O VII edge when observed with moderate resolution spectrometers. No absorption edges are clearly detected in the spectrum. We demonstrate that the RGS spectrum of IRAS 13349+2438 exhibits absorption lines from two distinct regions, one of which is tentatively associated with the medium that produces the optical/UV reddening.

  14. Theoretical Calculation of the Particle Spectrum Following Absorption of Stopped Negative Pion by Helium -3.

    NASA Astrophysics Data System (ADS)

    Roginsky, Jacob

    1987-09-01

    In 1982 Gotta et al^1, experimentally observed the branching ratios for n + D, n + D^', where D ^' represents the virtual S _{0} np state, and the probability density for three-body (n + n + p) events following absorption of stopped (pi) ^{-} in ^3He. The purpose of the thesis was to calculate theoretically the particle spectrum following the absorption, using the two-nucleon model of pion absorption ^2 and to compare it to the results obtained in the Gotta experiment. The ^3 He pionic atom is unique in that it is the simplest nucleus which provides an opportunity for the verification of the two-nucleon absorption model. For this calculation the effective two-nucleon Hamiltonian^{3,4,5} was chosen as the T-matrix for low energy pion scattering from one nucleon followed by absorption on the second nucleon. The constants g_{0} and g _1 are obtained from the corresponding two-nucleon interaction processes resulting in the pion production with the first one corresponding to the spin triplet and the second to the spin singlet nucleon interactions. The initial bound-state momentum-space wave function was chosen ^6 to be consistent with the charge radius of the ^3He nucleus and to have the correct singularities generated by the asymptotic two- and three-body channels. The final-state wave functions are characterized by non-interacting n + D, non-interacting n + D^', and a non-interacting n + n + p states (when the energy is roughly equally shared between the nucleons). The results of the calculation turned out to be in a fairly good agreement with those obtained in ^1. The branching ratio of singlet deuteron rate of transition to the corresponding rate into deuteron differed from the result in the former by less than one percent. As a check some of the results obtained in ^6 were reproduced, giving a very good agreement with it as well. The calculation indicates that the two-nucleon absorption model gives a good result when used for a simple system like ^3He. Those

  15. The absorption spectrum of titanium between 1900 A and 2315 A

    NASA Technical Reports Server (NTRS)

    Forsberg, P.; Johansson, S.; Smith, P. L.

    1986-01-01

    The absorption spectrum of Ti I has been analyzed in the region 1900-2315 A. The list contains 219 lines, of which 64 have been identified as transitions between the ground term and terms of the odd configurations (3d + 4s)3 np (n = 4, 5). Sixteen new energy levels have been found, and three odd level values have been revised. Most of the identified Ti I lines are present in the solar spectrum.

  16. [Signal analysis and spectrum distortion correction for tunable diode laser absorption spectroscopy system].

    PubMed

    Bao, Wei-Yi; Zhu, Yong; Chen, Jun; Chen, Jun-Qing; Liang, Bo

    2011-04-01

    In the present paper, the signal of a tunable diode laser absorption spectroscopy (TDLAS) trace gas sensing system, which has a wavelength modulation with a wide range of modulation amplitudes, is studied based on Fourier analysis method. Theory explanation of spectrum distortion induced by laser intensity amplitude modulation is given. In order to rectify the spectrum distortion, a method of synchronous amplitude modulation suppression by a variable optical attenuator is proposed. To validate the method, an experimental setup is designed. Absorption spectrum measurement experiments on CO2 gas were carried out. The results show that the residual laser intensity modulation amplitude of the experimental system is reduced to -0.1% of its original value and the spectrum distortion improvement is 92% with the synchronous amplitude modulation suppression. The modulation amplitude of laser intensity can be effectively reduced and the spectrum distortion can be well corrected by using the given correction method and system. By using a variable optical attenuator in the TDLAS (tunable diode laser absorption spectroscopy) system, the dynamic range requirements of photoelectric detector, digital to analog converter, filters and other aspects of the TDLAS system are reduced. This spectrum distortion correction method can be used for online trace gas analyzing in process industry.

  17. Ortho effects on the change in electronic absorption spectrum of pyridinium salts of saturated bromohydrocarbon.

    PubMed

    Song, Jin-Ling; Gong, Li-Ming; Feng, Shou-Ai; Zhao, Jiang-Hong; Zheng, Jian-Feng; Zhu, Zhen-Ping

    2009-12-01

    The quaterisation process of 1,2-dibromoethane and pyridine is in situ traced by electronic absorption spectrum. Two absorption peaks, induced by mono- and bis-pyridinium salt of 1,2-dibromoethane, appear at 429 nm and 313 nm, respectively. To explain the phenomena, several kinds of alkyl bromides with special structures were selected and compared by experimental measurement and theoretical calculation. The results indicate that for mono-pyridinium salt of 1,2-dibromoethane, the electron donor property of ortho-bromine group increases the electron cloud density of the carbon atom associated with pyridinium cation, which induces red-shift of absorption wavelength.

  18. [Study on removing the lamp spectrum structure in differential optical absorption spectroscopy].

    PubMed

    Qu, Xiao-ying; Li, Yu-jin

    2010-11-01

    Differential optical absorption spectroscopy (DOAS) technique has been used to measure trace gases in the atmosphere by their strongly structured absorption of radiation in the UV and visible spectral range, and nowadays this technique has been widely utilized to measure trace polluted gases in the atmosphere e.g. SO2, NO2, O3, HCHO, etc. However, there exists lamp (xenon lamp or deuteriumlamp) spectrum structure in the measured band (300-700 nm) of the absorption spectra of atmosphere, which badly impacts on precision of retrieving the concentration of trace gases in the atmosphere. People home and abroad generally employ two ways to handle this problem, one is segmenting band retrieving method, another is remedial retrieving method. In the present paper, a new retrieving method to deal with this trouble is introduced. The authors used moving-window average smoothing method to obtain the slow part of the absorption spectra of atmosphere, then achieved the lamp (xenon lamp in the paper) spectrum structure in the measured band of the absorption spectra of atmosphere. The authors analyzed and retrieved the measured spectrum of the atmosphere, and the result is better than the forenamed ways. Chi-square of residuum is 2.995 x 10(-4), and this method was proved to be able to avoid shortcoming of choosing narrowband and disadvantage of discovering the new component of atmosphere in retrieving the concentration of air pollutants and measuring the air pollutants.

  19. ULTRAVIOLET ABSORPTION SPECTRUM OF NITROUS OXIDE AS FUNCTION OF TEMPERATURE AND ISOTOPIC SUBSTITUTION

    SciTech Connect

    Selwyn, G.S.; Johnston, H.S.

    1980-07-01

    The ultraviolet absorption spectra of nitrous oxide and its {sup 15}N isotopes over the wavelength range 197 to 172 nm and between 150 and 500 K show a weak continuous absorption and a pattern of diffuse banding that became pronounced at higher temperatures. The temperature dependence of the absorption spectrum results from the activation of the n{sub 2}{double_prime} bending mode. Deconvolution of the data shows that absorption by molecules in the (010) vibrational mode results in a spectrum of vibrational bands superimposed on a continuum. A weaker and nearly continuous spectrum results from the ultraviolet absorption by molecules in the (000) vibrational mode. Analysis of the structuring indicates n{sub 2}{double_prime} = (490 {+-} 10) cm{sup -1}. No rotational structure can be observed. Measurement of the n{sub 2}{double_prime} isotope shift is used to identify the quantum number of the upper state vibrational levels. Normal coordinate analysis of the excited state is used to determine a self-consistent set of molecular parameters: bond angle (115{sup o}), the values of n{sub 1}{prime} and n{sub 3}{prime} (1372 and 1761 cm{sup -1}, respectively), and the force constants of the upper state. It is suggested that the transitions observed are {sup 1}S{sup -}({sup 1}A{sup -}) {l_arrow} X- {sup 1}{sup +} and {sup 1}D {l_arrow} {tilde X} {sup 1}S{sup +}.

  20. Absorption spectrum analysis based on singular value decomposition for photoisomerization and photodegradation in organic dyes

    NASA Astrophysics Data System (ADS)

    Kawabe, Yutaka; Yoshikawa, Toshio; Chida, Toshifumi; Tada, Kazuhiro; Kawamoto, Masuki; Fujihara, Takashi; Sassa, Takafumi; Tsutsumi, Naoto

    2015-10-01

    In order to analyze the spectra of inseparable chemical mixtures, many mathematical methods have been developed to decompose them into the components relevant to species from series of spectral data obtained under different conditions. We formulated a method based on singular value decomposition (SVD) of linear algebra, and applied it to two example systems of organic dyes, being successful in reproducing absorption spectra assignable to cis/trans azocarbazole dyes from the spectral data after photoisomerization and to monomer/dimer of cyanine dyes from those during photodegaradation process. For the example of photoisomerization, polymer films containing the azocarbazole dyes were prepared, which have showed updatable holographic stereogram for real images with high performance. We made continuous monitoring of absorption spectrum after optical excitation and found that their spectral shapes varied slightly after the excitation and during recovery process, of which fact suggested the contribution from a generated photoisomer. Application of the method was successful to identify two spectral components due to trans and cis forms of azocarbazoles. Temporal evolution of their weight factors suggested important roles of long lifetimed cis states in azocarbazole derivatives. We also applied the method to the photodegradation of cyanine dyes doped in DNA-lipid complexes which have shown efficient and durable optical amplification and/or lasing under optical pumping. The same SVD method was successful in the extraction of two spectral components presumably due to monomer and H-type dimer. During the photodegradation process, absorption magnitude gradually decreased due to decomposition of molecules and their decaying rates strongly depended on the spectral components, suggesting that the long persistency of the dyes in DNA-complex related to weak tendency of aggregate formation.

  1. Femtosecond time-domain observation of atmospheric absorption in the near-infrared spectrum

    NASA Astrophysics Data System (ADS)

    Hammond, T. J.; Monchocé, Sylvain; Zhang, Chunmei; Brown, Graham G.; Corkum, P. B.; Villeneuve, D. M.

    2016-12-01

    As light propagates through a medium, absorption caused by electronic or rovibrational transitions is evident in the transmitted spectrum. The incident electromagnetic field polarizes the medium and the absorption is due to the imaginary part of the linear susceptibility. In the time domain, the field establishes a coherence in the medium that radiates out of phase with the initial field. This coherence can persist for tens of picoseconds in atmospheric molecules such as H2O . We propagate a few-cycle laser pulse centered at 1.8 μ m through the atmosphere and measure the long-lasting molecular coherence in the time domain by high-order harmonic cross correlation. The measured optical free-induction decay of the pulse is compared with a calculation based on the calculated rovibrational spectrum of H2O absorption.

  2. UV absorption spectrum of the C2 Criegee intermediate CH3CHOO.

    PubMed

    Smith, Mica C; Ting, Wei-Lun; Chang, Chun-Hung; Takahashi, Kaito; Boering, Kristie A; Lin, Jim Jr-Min

    2014-08-21

    The UV spectrum of CH3CHOO was measured by transient absorption in a flow cell at 295 K. The absolute absorption cross sections of CH3CHOO were measured by laser depletion in a molecular beam to be (1.06 ± 0.09) × 10(-17) cm(2) molecule(-1) at 308 nm and (9.7 ± 0.6) × 10(-18) cm(2) molecule(-1) at 352 nm. After scaling the UV spectrum of CH3CHOO to the absolute cross section at 308 nm, the peak UV cross section is (1.27 ± 0.11) × 10(-17) cm(2) molecule(-1) at 328 nm. Compared to the simplest Criegee intermediate CH2OO, the UV absorption band of CH3CHOO is similar in intensity but blue shifted by 14 nm, resulting in a 20% slower photolysis rate estimated for CH3CHOO in the atmosphere.

  3. UV absorption spectrum of the C2 Criegee intermediate CH3CHOO

    NASA Astrophysics Data System (ADS)

    Smith, Mica C.; Ting, Wei-Lun; Chang, Chun-Hung; Takahashi, Kaito; Boering, Kristie A.; Lin, Jim-Min, Jr.

    2014-08-01

    The UV spectrum of CH3CHOO was measured by transient absorption in a flow cell at 295 K. The absolute absorption cross sections of CH3CHOO were measured by laser depletion in a molecular beam to be (1.06 ± 0.09) × 10-17 cm2 molecule-1 at 308 nm and (9.7 ± 0.6) × 10-18 cm2 molecule-1 at 352 nm. After scaling the UV spectrum of CH3CHOO to the absolute cross section at 308 nm, the peak UV cross section is (1.27 ± 0.11) × 10-17 cm2 molecule-1 at 328 nm. Compared to the simplest Criegee intermediate CH2OO, the UV absorption band of CH3CHOO is similar in intensity but blue shifted by 14 nm, resulting in a 20% slower photolysis rate estimated for CH3CHOO in the atmosphere.

  4. Spectrum sensing of trace C(2)H(2) detection in differential optical absorption spectroscopy technique.

    PubMed

    Chen, Xi; Dong, Xiaopeng

    2014-09-10

    An improved algorithm for trace C(2)H(2) detection is presented in this paper. The trace concentration is accurately calculated by focusing on the absorption spectrum from the frequency domain perspective. The advantage of the absorption spectroscopy frequency domain algorithm is its anti-interference capability. First, the influence of the background noise on the minimum detectable concentration is greatly reduced. Second, the time-consuming preprocess of spectra calibration in the differential optical absorption spectroscopy technique is skipped. Experimental results showed the detection limit of 50 ppm is achieved at a lightpath length of 0.2 m. This algorithm can be used in real-time spectrum analysis with high accuracy.

  5. Azimuthal Doppler shift of absorption spectrum in optical vortex laser absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Yoshimura, Shinji; Aramaki, Mitsutoshi; Ozawa, Naoya; Terasaka, Kenichiro; Tanaka, Masayoshi; Nagaoka, Kenichi; Morisaki, Tomohiro

    2016-10-01

    Laser spectroscopy is a powerful diagnostic tool for measuring the mean flow velocity of plasma particles. We have been developing a new laser spectroscopy method utilizing an optical vortex beam, which has helical phase fronts corresponding to the phase change in the azimuthal direction. Because of this phase change, a Doppler effect is experienced even by an atom crossing the beam vertically. The additional azimuthal Doppler shift is proportional to the topological charge of optical vortex and is inversely proportional to the distance from the beam axis in which the beam intensity is vanished by destructive interference or the phase singularity. In order to detect the azimuthal Doppler shift, we have performed a laser absorption spectroscopy experiment with the linear ECR plasma device HYPER-I. Since the azimuthal Doppler shift depends on a position in the beam cross section, the absorption spectra at various positions were reconstructed from the transmitted beam intensity measured by a beam profiler. We have observed a clear spatial dependence of the Doppler shift, which qualitatively agreed with theory. Detailed experimental results, as well as remaining issues and future prospect, will be discussed at the meeting. This study was partially supported by JAPS KAKENHI Grand Numbers 15K05365 and 25287152.

  6. [Study on the absorption spectrum properties of flexible black silicon doped with sulfur and fluorine based on first-principles].

    PubMed

    Wei, Wei; Zhu, Yong; Lin, Cheng; Tian, Li; Xu, Zu-Wen; Nong, Jin-Peng

    2014-04-01

    It is quite urgent to need a flexible photodetector in the ultraviolet-visible-near infrared region for building a miniaturization broadband spectrometer. In the present paper, one kind of flexible black silicon doped with sulfur and fluorine was proposed and the optical absorption spectrum was investigated in broadband region. Firstly, the electronic structure, band structure and the optical absorption properties of the flexible black silicon doped with sulfur and fluoride were calculated using the first-principles pseudo potential calculations based on density-functional theory. Then, the absorption spectrum model of the flexible black silicon was built based on both the first-principles and finite domain time difference method. The results show that the cut-off wavelength has a red shift as the band gap of doped material becomes narrower. The higher the doping concentration is, the higher the optical absorption coefficient is obtained. The absorption coefficient of flexible black silicon doped with 50% sulfur is 8.3 times higher than that of 1.5% sulfur doping sample at the wavelength of 1 500 nm while the ratio turns to be 3 times when doped with 50% and 1.5% fluoride. The black silicon with small-size surface microstructure has the highest absorptance in the near-infrared region at the same doping concentration of 50%. Finally, a sample of flexible black silicon was fabricated by the femtosecond laser auto scanning system. The test results indicate that the absorptance of the sample is higher than 95% both in the ultraviolet and visible region and is fluctuated from 70% to 80% in the near-infrared region. It shows that as a novel light-absorbing material in broadband region the flexible black silicon doped with Sulfur and Fluorine has an potential application in exploring miniaturization broadband spectroscopy.

  7. Excited state absorption spectrum of chlorophyll a obtained with white-light continuum.

    PubMed

    De Boni, L; Correa, D S; Pavinatto, F J; dos Santos, D S; Mendonça, C R

    2007-04-28

    The study of excited state properties of chlorophyll a is a subject of foremost interest, given that it plays important roles in biological process and has also been proposed for applications in photonics. This work reports on the excited state absorption spectrum of chlorophyll a solution from 460 to 700 nm, obtained through the white-light continuum Z-scan technique. Saturation of absorption was observed due to the ground state depletion, induced by the white-light continuum region that is resonant with the Q band of chlorophyll a. The authors also observed reverse saturation of absorption related to the excitation from the first excited state to a higher energy level for wavelengths below 640 nm. An energy-level diagram, based on the electronic states of chlorophyll a, was employed to interpret their results, revealing that more states than the ones related to the Q and B bands participate in the excited state absorption of this molecule.

  8. Semiclassical on-the-fly computation of the S(0)-->S(1) absorption spectrum of formaldehyde.

    PubMed

    Tatchen, Jörg; Pollak, Eli

    2009-01-28

    The anharmonic S(0)-->S(1) vibronic absorption spectrum of the formaldehyde molecule is computed on the fly using semiclassical dynamics. This first example of an on-the-fly semiclassical computation of a vibronic spectrum was achieved using a unit prefactor modified frozen Gaussian semiclassical propagator for the excited state. A sample of 6000 trajectories sufficed for obtaining a converged spectrum, which is in reasonable agreement with experiment. Similar agreement is not obtained when using a harmonic approximation for the spectrum, demonstrating the need for a full anharmonic computation. This first example provides a resolution of approximately 100 cm(-1). Potential ways of improving the methodology and obtaining higher resolution and accuracy are discussed.

  9. Dynamic registration of the absorption spectrum of water in the SiO(2) nanopores in high-frequency range.

    PubMed

    Sinitsa, L N; Lugovskoy, A A

    2010-11-28

    The high-frequency region was used to record the absorption spectrum of water in nanoscale pores during vacuum pumping or injection of water. The wide spectral range, which included the vibration overtones, allowed to resolve the structure of the absorption bands with variation of water concentration in the pores of SiO(2). The absorption bands of water clusters in the 4570-5400 cm(-1) range consist of well-resolved sub-bands with interpeak intervals of up to 580 cm(-1). When the pore diameter is decreased from 11.8 to 2.6 nm, the absorption bands of clusters in this frequency range are shifted by 530 cm(-1) in the direction of the water monomer which indicates an increase of hydrogen bond strength in confined water with an increase of the pore diameter. The spectrum recorded during water pumping is extremely variable in time, and the cluster dynamics in large pores (11.8 nm) differs greatly from the dynamics in small pores (2.6 nm). While all types of water clusters are removed from small pores uniformly, in the case of large pores, the water clusters relating to strong hydrogen bonds are removed from the sample at the beginning of the vacuum pumping and the loosely coupled clusters are removed later. The rate of this process is not steady and varies throughout pumping.

  10. The UV absorption spectrum of the simplest Criegee intermediate CH2OO.

    PubMed

    Ting, Wei-Lun; Chen, Ying-Hsuan; Chao, Wen; Smith, Mica C; Lin, Jim Jr-Min

    2014-06-14

    SO2 scavenging and self-reaction of CH2OO were utilized for the decay of CH2OO to extract the absorption spectrum of CH2OO under bulk conditions. Absolute absorption cross sections of CH2OO at 308.4 and 351.8 nm were obtained from laser-depletion measurements in a jet-cooled molecular beam. The peak cross section is (1.23 ± 0.18) × 10(-17) cm(2) at 340 nm.

  11. Excitonic Effects and the Optical Absorption Spectrum of Hydrogenated Si Clusters

    SciTech Connect

    Rohlfing, M.; Louie, S.G. |

    1998-04-01

    We calculate the optical absorption spectrum of hydrogen-terminated silicon clusters by solving the Bethe-Salpeter equation for the two-particle Green{close_quote}s function using an {ital ab initio} approach. The one-particle Green{close_quote}s function and the electron-hole interaction kernel are calculated within the GW approximation for the electron self-energy operator. Very large exciton binding energies are observed. Our results for the one-particle properties and the optical absorption spectra of the clusters are in very good agreement with available experimental data. {copyright} {ital 1998} {ital The American Physical Society}

  12. The exciton absorption spectrum of thin CuPb3Br7 superionic conductor films

    NASA Astrophysics Data System (ADS)

    Yunakova, O. N.; Yunakov, N. N.; Kovalenko, E. N.; Kovalenko, V. V.

    2016-09-01

    A study of the absorption spectrum of thin CuPb2Br7 films in the 2-6 eV spectral and 90-500 K temperature ranges. It is shown that the exciton spectrum of the compound is associated with transitions in the lead ion. The temperature dependence of the spectral position and half-width of the low-frequency exciton band contains features associated with phase transitions γ → β (Tc1 = 159 K) and β → α (Tc2 = 434 K) and the disordering of the cation sublattice of the compound in the transition to the superionic state.

  13. Integration of Semiconducting Sulfides for Full-Spectrum Solar Energy Absorption and Efficient Charge Separation.

    PubMed

    Zhuang, Tao-Tao; Liu, Yan; Li, Yi; Zhao, Yuan; Wu, Liang; Jiang, Jun; Yu, Shu-Hong

    2016-05-23

    The full harvest of solar energy by semiconductors requires a material that simultaneously absorbs across the whole solar spectrum and collects photogenerated electrons and holes separately. The stepwise integration of three semiconducting sulfides, namely ZnS, CdS, and Cu2-x S, into a single nanocrystal, led to a unique ternary multi-node sheath ZnS-CdS-Cu2-x S heteronanorod for full-spectrum solar energy absorption. Localized surface plasmon resonance (LSPR) in the nonstoichiometric copper sulfide nanostructures enables effective NIR absorption. More significantly, the construction of pn heterojunctions between Cu2-x S and CdS leads to staggered gaps, as confirmed by first-principles simulations. This band alignment causes effective electron-hole separation in the ternary system and hence enables efficient solar energy conversion.

  14. Collision-induced absorption in the far infrared spectrum of Titan

    NASA Technical Reports Server (NTRS)

    Hunt, J. L.; Poll, J. D.; Goorvitch, D.; Tipping, R. H.

    1983-01-01

    The effects of collision-induced absorption on the far infrared spectrum of Titan have been investigated. After a review of the procedure for the theoretical calculation of the N2 translation-rotational spectrum, new results for the temperature range o 70 to 120 K are reported. These are used as input data for a simple atmospheric model in order to compute the far infrared radiance, brightness temperature, and specral limb function. This source of opacity alone is not capable of explaining the Voyager results. When the collision-induced methane is included, the results are in closer agreement in the range between 200 and 300/cm, suggesting that a more complete treatment of collision-induced absorption including particularly CH4-N2, N2-H2, and H2-H2 results, may provide sufficient opacity to reduce or obviate the need for opacities due to clouds or aerosols in order to explain the observed spectra.

  15. Degenerate two-photon absorption in all-trans retinal: nonlinear spectrum and theoretical calculations.

    PubMed

    Vivas, M G; Silva, D L; Misoguti, L; Zaleśny, R; Bartkowiak, W; Mendonca, C R

    2010-03-18

    In this work we investigate the degenerate two-photon absorption spectrum of all-trans retinal in ethanol employing the Z-scan technique with femtosecond pulses. The two-photon absorption (2PA) spectrum presents a monotonous increase as the excitation wavelength approaches the one-photon absorption band and a peak at 790 nm. We attribute the 2PA band to the mixing of states (1)B(u)(+)-like and |S(1)>, which are strongly allowed by one- and two-photon, respectively. We modeled the 2PA spectrum by using the sum-over-states approach and obtained spectroscopic parameters of the electronic transitions to |S(1)>, |S(2)> ("(1)B(u)(+)"), |S(3)>, and |S(4)> singlet-excited states. The results were compared with theoretical predictions of one- and two-photon transition calculations using the response functions formalism within the density functional theory framework with the aid of the CAM-B3LYP functional.

  16. THE SURPRISING ABSENCE OF ABSORPTION IN THE FAR-ULTRAVIOLET SPECTRUM OF Mrk 231

    SciTech Connect

    Veilleux, S.; Trippe, M.; Krug, H.; Hamann, F.; Rupke, D. S. N.; Tripp, T. M.; Netzer, H.; Lutz, D.; Genzel, R.; Sturm, E.; Tacconi, L.; Sembach, K. R.; Teng, S. H.; Maiolino, R. E-mail: veilleux@astro.umd.edu

    2013-02-10

    Mrk 231, the nearest (z = 0.0422) quasar, hosts both a galactic-scale wind and a nuclear-scale iron low-ionization broad absorption line (FeLoBAL) outflow. We recently obtained a far-ultraviolet (FUV) spectrum of this object covering {approx}1150-1470 A with the Cosmic Origins Spectrograph on board the Hubble Space Telescope. This spectrum is highly peculiar, highlighted by the presence of faint ({approx}<2% of predictions based on H{alpha}), broad ({approx}>10,000 km s{sup -1} at the base), and highly blueshifted (centroid at {approx} -3500 km s{sup -1}) Ly{alpha} emission. The FUV continuum emission is slightly declining at shorter wavelengths (consistent with F {sub {lambda}}{proportional_to}{lambda}{sup 1.7}) and does not show the presence of any obvious photospheric or wind stellar features. Surprisingly, the FUV spectrum also does not show any unambiguous broad absorption features. It thus appears to be dominated by the AGN, rather than hot stars, and virtually unfiltered by the dusty FeLoBAL screen. The observed Ly{alpha} emission is best explained if it is produced in the outflowing BAL cloud system, while the Balmer lines arise primarily from the standard broad emission line region seen through the dusty (A{sub V} {approx} 7 mag) broad absorption line region. Two possible geometric models are discussed in the context of these new results.

  17. The Surprising Absence of Absorption in the Far-ultraviolet Spectrum of Mrk 231

    NASA Technical Reports Server (NTRS)

    Veilleux, S.; Trippe, M.; Hamann, F.; Rupke, D. S. N.; Tripp, T. M.; Netzer, H.; Lutz, D.; Sembach, K. R.; Krug, H.; Teng, Stacy H.; Genzel, R.; Maiolino, R.; Sturm, E.; Tacconi, L.

    2013-01-01

    Mrk 231, the nearest (z = 0.0422) quasar, hosts both a galactic-scale wind and a nuclear-scale iron low-ionization broad absorption line (FeLoBAL) outflow. We recently obtained a far-ultraviolet (FUV) spectrum of this object covering approx. 1150-1470A with the Cosmic Origins Spectrograph on board the Hubble Space Telescope. This spectrum is highly peculiar, highlighted by the presence of faint (< or approx.2% of predictions based on H(alpha)), broad (> or approx.10,000 km/s at the base), and highly blueshifted (centroid at approx. 3500 km/s) Ly(aplpha) emission. The FUV continuum emission is slightly declining at shorter wavelengths (consistent with F(sub lambda) Alpha Lambda(sup 1.7)) and does not show the presence of any obvious photospheric or wind stellar features. Surprisingly, the FUV spectrum also does not show any unambiguous broad absorption features. It thus appears to be dominated by the AGN, rather than hot stars, and virtually unfiltered by the dusty FeLoBAL screen. The observed Ly(alpha) emission is best explained if it is produced in the outflowing BAL cloud system, while the Balmer lines arise primarily from the standard broad emission line region seen through the dusty (Av approx. 7 mag) broad absorption line region. Two possible geometric models are discussed in the context of these new results.

  18. Nonlinear Correction to Absorption Spectrum under Irradiation of Microwave Field in Conventional BCS Superconductors

    NASA Astrophysics Data System (ADS)

    Jujo, Takanobu

    2017-02-01

    We investigate the absorption spectrum of s-wave superconductors under microwave pump field irradiation. The third-order response function is calculated in the dirty limit with the electron-phonon interaction included at finite temperatures. We find that the nonlinear correction to the linear absorption shows peculiar behavior when the pump field frequency is smaller than the superconducting gap. At finite temperatures, a negative nonlinear correction exists, which is caused by thermally excited quasiparticles. The vertex correction by impurity scattering is found to contain a dissipation mechanism by inelastic scattering (interaction between electrons and acoustic phonons) or nonlocality. We need this mechanism to obtain finite absorption in a nonequilibrium stationary state under a monochromatic external field. Although this term originates from the deformation of a one-particle state, there is also a final-state interaction (the amplitude mode). The latter term represents two-photon excitation and is almost independent of temperature.

  19. H i Absorption in the Steep-Spectrum Superluminal Quasar 3C 216.

    PubMed

    Pihlström; Vermeulen; Taylor; Conway

    1999-11-01

    The search for H i absorption in strong compact steep-spectrum sources is a natural way to probe the neutral gas contents in young radio sources. In turn, this may provide information about the evolution of powerful radio sources. The recently improved capabilities of the Westerbork Synthesis Radio Telescope have made it possible to detect a 0.31% (19 mJy) deep neutral atomic hydrogen absorption line associated with the steep-spectrum superluminal quasar 3C 216. The redshift (z=0.67) of the source shifts the frequency of the 21 cm line down to the ultra-high-frequency (UHF) band (850 MHz). The exact location of the H i-absorbing gas remains to be determined by spectral line VLBI observations at 850 MHz. We cannot exclude that the gas might be extended on galactic scales, but we think it is more likely to be located in the central kiloparsec. Constraints from the lack of X-ray absorption probably rule out obscuration of the core region, and we argue that the most plausible site for the H i absorption is in the jet-cloud interaction observed in this source.

  20. Electronically excited rubidium atom in helium clusters and films. II. Second excited state and absorption spectrum.

    PubMed

    Leino, Markku; Viel, Alexandra; Zillich, Robert E

    2011-01-14

    Following our work on the study of helium droplets and film doped with one electronically excited rubidium atom Rb(∗) ((2)P) [M. Leino, A. Viel, and R. E. Zillich, J. Chem. Phys. 129, 184308 (2008)], we focus in this paper on the second excited state. We present theoretical studies of such droplets and films using quantum Monte Carlo approaches. Diffusion and path integral Monte Carlo algorithms combined with a diatomics-in-molecule scheme to model the nonpair additive potential energy surface are used to investigate the energetics and the structure of Rb(∗)He(n) clusters. Helium films as a model for the limit of large clusters are also considered. As in our work on the first electronic excited state, our present calculations find stable Rb(∗)He(n) clusters. The structures obtained are however different with a He-Rb(∗)-He exciplex core to which more helium atoms are weakly attached, preferentially on one end of the core exciplex. The electronic absorption spectrum is also presented for increasing cluster sizes as well as for the film.

  1. Direct measurement of the absolute absorption spectrum of individual semiconducting single-wall carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Blancon, Jean-Christophe; Paillet, Matthieu; Tran, Huy Nam; Than, Xuan Tinh; Guebrou, Samuel Aberra; Ayari, Anthony; Miguel, Alfonso San; Phan, Ngoc-Minh; Zahab, Ahmed-Azmi; Sauvajol, Jean-Louis; Fatti, Natalia Del; Vallée, Fabrice

    2013-09-01

    The optical properties of single-wall carbon nanotubes are very promising for developing novel opto-electronic components and sensors with applications in many fields. Despite numerous studies performed using photoluminescence or Raman and Rayleigh scattering, knowledge of their optical response is still partial. Here we determine using spatial modulation spectroscopy, over a broad optical spectral range, the spectrum and amplitude of the absorption cross-section of individual semiconducting single-wall carbon nanotubes. These quantitative measurements permit determination of the oscillator strength of the different excitonic resonances and their dependencies on the excitonic transition and type of semiconducting nanotube. A non-resonant background is also identified and its cross-section comparable to the ideal graphene optical absorbance. Furthermore, investigation of the same single-wall nanotube either free standing or lying on a substrate shows large broadening of the excitonic resonances with increase of oscillator strength, as well as stark weakening of polarization-dependent antenna effects, due to nanotube-substrate interaction.

  2. The second derivative electronic absorption spectrum of cytochrome c oxidase in the Soret region.

    PubMed

    Horvath, M P; Copeland, R A; Makinen, M W

    1999-09-01

    The electronic absorption spectrum of solubilized beef heart cytochrome c oxidase was analyzed in the 400-500 nm region to identify the origin of doublet features appearing in the second derivative spectrum associated with ferrocytochrome a. This doublet, centered near 22,600 cm(-1), was observed in the direct absorption spectrum of the a(2+)a(3)(3+).HCOO(-) form of the enzyme at cryogenic temperatures. Since evidence for this doublet at room temperature is obtained only on the basis of the second derivative spectrum, a novel mathematical approach was developed to analyze the resolving power of second derivative spectroscopy as a function of parameterization of spectral data. Within the mathematical limits defined for resolving spectral features, it was demonstrated that the integrated intensity of the doublet feature near 450 nm associated with ferrocytochrome a is independent of the ligand and oxidation state of cytochrome a(3). Furthermore, the doublet features, also observed in cytochrome c oxidase from Paracoccus denitrificans, were similarly associated with the heme A component and were correspondingly independent of the ligand and oxidation state of the heme A(3) chromophore. The doublet features are attributed to lifting of the degeneracy of the x and y polarized components of the B state of the heme A chromophore associated with the Soret transition.

  3. Ultraviolet Absorption Spectrum of Malonaldehyde in Water Is Dominated by Solvent-Stabilized Conformations

    SciTech Connect

    Xu, Xuefei; Zheng, Jingjing; Truhlar, Donald G.

    2015-07-01

    Free energy calculations for eight enol isomers of malonaldehyde (MA) and simulation of the ultraviolet (UV) absorption spectrum in both the gas phase and water (pH = 3, where the molecule exists in neutral undeprotonated form) show that in water the two s-trans nonchelated enol conformers of MA become thermodynamically more stable than the internally hydrogen-bonded (“chelated enol”) conformer (CE). The pure CE conformer in water has a slightly red-shifted UV spectrum with respect to that in the gas phase, but the blue-shifted spectrum observed in water at pH 3 is dominated by solvent-stabilized conformations that have negligible populations in the gas phase. Density functional calculations with the solvation model based on density (SMD) and an ensemble-averaged vertical excitation model explain the experimental observations in detail.

  4. Ultraviolet Absorption Spectrum of Malonaldehyde in Water Is Dominated by Solvent-Stabilized Conformations.

    PubMed

    Xu, Xuefei; Zheng, Jingjing; Truhlar, Donald G

    2015-07-01

    Free energy calculations for eight enol isomers of malonaldehyde (MA) and simulation of the ultraviolet (UV) absorption spectrum in both the gas phase and water (pH = 3, where the molecule exists in neutral undeprotonated form) show that in water the two s-trans nonchelated enol conformers of MA become thermodynamically more stable than the internally hydrogen-bonded ("chelated enol") conformer (CE). The pure CE conformer in water has a slightly red-shifted UV spectrum with respect to that in the gas phase, but the blue-shifted spectrum observed in water at pH 3 is dominated by solvent-stabilized conformations that have negligible populations in the gas phase. Density functional calculations with the solvation model based on density (SMD) and an ensemble-averaged vertical excitation model explain the experimental observations in detail.

  5. Spectrum of excess partial molar absorptivity. I. Near infrared spectroscopic study of aqueous acetonitrile and acetone.

    PubMed

    Koga, Yoshikata; Sebe, Fumie; Minami, Takamasa; Otake, Keiko; Saitow, Ken-ichi; Nishikawa, Keiko

    2009-09-03

    We study the mixing schemes or the molecular processes occurring in aqueous acetonitrile (ACN) and acetone (ACT) by near-infrared spectroscopy (NIR). Both solutions (any other aqueous solutions) are not free from strong and complex intermolecular interactions. To tackle such a many-body problem, we first use the concept of the excess molar absorptivity, epsilonE, which is a function of solute mole fraction in addition to that of wavenumber, nu. The plots of epsilonE calculated from NIR spectra for both aqueous solutions against nu showed two clearly separated bands at 5020 and 5230 cm(-1); the former showed negative and the latter positive peaks. At zero and unity mole fractions of solute, epsilonE is identically zero independent of nu. Similar to the thermodynamic excess functions, both negative and positive bands grow in size from zero to the minimum (or the maximum) and back to zero, as the mole fraction varies from 0 to 1. Since the negative band's nu-locus coincides with the NIR spectrum of ice, and the positive with that of liquid H(2)O, we suggest that on addition of solute the "ice-likeness" decreases and the "liquid-likeness" increases, reminiscent of the two-mixture model for liquid H(2)O. The modes of these variations, however, are qualitatively different between ACN-H(2)O and ACT-H(2)O. The former ACN is known to act as a hydrophobe and ACT as a hydrophile from our previous thermodynamic studies. To see the difference more clearly, we introduced and calculated the excess partial molar absorptivity of ACN and ACT, epsilon(E)(N) and epsilon(E)(T), respectively. The mole fraction dependences of epsilon(E)(N) and epsilon(E)(T) show qualitatively different behavior and are consistent with the detailed mixing schemes elucidated by our earlier differential thermodynamic studies. Furthermore, we found in the H(2)O-rich region that the effect of hydrophobic ACN is acted on the negative band at 5020 cm(-1), while that of hydrophilic ACT is on the positive high

  6. [Application of the differential absorption UV-VIS spectrum to assay some of humic compounds in therapeutic peats].

    PubMed

    Drobnik, Michał; Latour, Teresa

    2009-01-01

    Delineated were differential 4th degree absorption spectrum UV-VIS range for standardized humid acids produced by "Fluka". These acids were separated through selective extraction (acid, alcoholic, alkaline). Determined was wavelength for which distinct, well separated, symmetrical peaks characteristic for particular compounds were found. The similar procedure were applied to separate the same sort of acids extracted from 4 Polish peat deposits. Certified are the presence of hymatomelanoic acid, fulvic acid, humic acid in examined peat of low type. These acids occurred in different quantity and proportions.

  7. A close to unity and all-solar-spectrum absorption by ion-sputtering induced Si nanocone arrays.

    PubMed

    Qiu, Ying; Hao, Hong-Chen; Zhou, Jing; Lu, Ming

    2012-09-24

    Si nanocone arrays are formed on Si(100) by Ar(+) ion sputtering combined with metal ion co-deposition. The aspect ratio of Si cone is found to increases steadily with increasing sample temperature, but decreases slowly with increasing ion dose. Furthermore, the height and base diameter of Si cone increase monotonously with increasing dose at a constant temperature. The absorptivity increases in general with increasing aspect ratio and height. A close to unity and all-solar-spectrum absorption by the nanostructured Si is finally achieved, with the absorbance for λ = 350 to 1100 nm being higher than 96%, and that for λ = 1100 to 2000 nm higher than 92%. Photocurrents for different Si samples are also investigated.

  8. UV absorption spectrum of the C2 Criegee intermediate CH{sub 3}CHOO

    SciTech Connect

    Smith, Mica C.; Ting, Wei-Lun; Chang, Chun-Hung; Takahashi, Kaito; Boering, Kristie A.; Lin, Jim Jr-Min

    2014-08-21

    The UV spectrum of CH{sub 3}CHOO was measured by transient absorption in a flow cell at 295 K. The absolute absorption cross sections of CH{sub 3}CHOO were measured by laser depletion in a molecular beam to be (1.06 ± 0.09) × 10{sup −17} cm{sup 2} molecule{sup −1} at 308 nm and (9.7 ± 0.6) × 10{sup −18} cm{sup 2} molecule{sup −1} at 352 nm. After scaling the UV spectrum of CH{sub 3}CHOO to the absolute cross section at 308 nm, the peak UV cross section is (1.27 ± 0.11) × 10{sup −17} cm{sup 2} molecule{sup −1} at 328 nm. Compared to the simplest Criegee intermediate CH{sub 2}OO, the UV absorption band of CH{sub 3}CHOO is similar in intensity but blue shifted by 14 nm, resulting in a 20% slower photolysis rate estimated for CH{sub 3}CHOO in the atmosphere.

  9. Two-Photon Absorption Spectrum of a Single Crystal Cyanine-like Dye.

    PubMed

    Hu, Honghua; Fishman, Dmitry A; Gerasov, Andrey O; Przhonska, Olga V; Webster, Scott; Padilha, Lazaro A; Peceli, Davorin; Shandura, Mykola; Kovtun, Yuriy P; Kachkovski, Alexey D; Nayyar, Iffat H; Masunov, Artëm E; Tongwa, Paul; Timofeeva, Tatiana V; Hagan, David J; Van Stryland, Eric W

    2012-05-03

    The two-photon absorption (2PA) spectrum of an organic single crystal is reported. The crystal is grown by self-nucleation of a subsaturated hot solution of acetonitrile, and is composed of an asymmetrical donor-π-acceptor cyanine-like dye molecule. To our knowledge, this is the first report of the 2PA spectrum of single crystals made from a cyanine-like dye. The linear and nonlinear properties of the single crystalline material are investigated and compared with the molecular properties of a toluene solution of its monomeric form. The maximum polarization-dependent 2PA coefficient of the single crystal is 52 ± 9 cm/GW, which is more than twice as large as that for the inorganic semiconductor CdTe with a similar absorption edge. The optical properties, linear and nonlinear, are strongly dependent upon incident polarization due to anisotropic molecular packing. X-ray diffraction analysis shows π-stacking dimers formation in the crystal, similar to H-aggregates. Quantum chemical calculations demonstrate that this dimerization leads to the splitting of the energy bands and the appearance of new red-shifted 2PA bands when compared to the solution of monomers. This trend is opposite to the blue shift in the linear absorption spectra upon H-aggregation.

  10. Infrared absorption spectrum of the simplest deuterated Criegee intermediate CD2OO.

    PubMed

    Huang, Yu-Hsuan; Nishimura, Yoshifumi; Witek, Henryk A; Lee, Yuan-Pern

    2016-07-28

    We report a transient infrared (IR) absorption spectrum of the simplest deuterated Criegee intermediate CD2OO recorded using a step-scan Fourier-transform spectrometer coupled with a multipass absorption cell. CD2OO was produced from photolysis of flowing mixtures of CD2I2, N2, and O2 (13 or 87 Torr) with laser light at 308 nm. The recorded spectrum shows close structural similarity with the spectrum of CH2OO reported previously [Y.-T. Su et al., Science 340, 174 (2013)]. The four bands observed at 852, 1017, 1054, and 1318 cm(-1) are assigned to the OO stretching mode, two distinct in-plane OCD bending modes, and the CO stretching mode of CD2OO, respectively, according to vibrational wavenumbers, IR intensities, rotational contours, and deuterium-isotopic shifts predicted with extensive quantum-chemical calculations. The CO-stretching mode of CD2OO at 1318 cm(-1) is blue shifted from the corresponding band of CH2OO at 1286 cm(-1); this can be explained by a mechanism based on mode mixing and isotope substitution. A band near 936 cm(-1), observed only at higher pressure (87 Torr), is tentatively assigned to the CD2 wagging mode of CD2IOO.

  11. Infrared absorption spectrum of the simplest deuterated Criegee intermediate CD2OO

    NASA Astrophysics Data System (ADS)

    Huang, Yu-Hsuan; Nishimura, Yoshifumi; Witek, Henryk A.; Lee, Yuan-Pern

    2016-07-01

    We report a transient infrared (IR) absorption spectrum of the simplest deuterated Criegee intermediate CD2OO recorded using a step-scan Fourier-transform spectrometer coupled with a multipass absorption cell. CD2OO was produced from photolysis of flowing mixtures of CD2I2, N2, and O2 (13 or 87 Torr) with laser light at 308 nm. The recorded spectrum shows close structural similarity with the spectrum of CH2OO reported previously [Y.-T. Su et al., Science 340, 174 (2013)]. The four bands observed at 852, 1017, 1054, and 1318 cm-1 are assigned to the OO stretching mode, two distinct in-plane OCD bending modes, and the CO stretching mode of CD2OO, respectively, according to vibrational wavenumbers, IR intensities, rotational contours, and deuterium-isotopic shifts predicted with extensive quantum-chemical calculations. The CO-stretching mode of CD2OO at 1318 cm-1 is blue shifted from the corresponding band of CH2OO at 1286 cm-1; this can be explained by a mechanism based on mode mixing and isotope substitution. A band near 936 cm-1, observed only at higher pressure (87 Torr), is tentatively assigned to the CD2 wagging mode of CD2IOO.

  12. Surprises from a Deep ASCA Spectrum of the Broad Absorption Line Quasar PHL 5200

    NASA Technical Reports Server (NTRS)

    Mathur, Smita; Matt, G.; Green, P. J.; Elvis, M.; Singh, K. P.

    2002-01-01

    We present a deep (approx. 85 ks) ASCA observation of the prototype broad absorption line quasar (BALQSO) PHL 5200. This is the best X-ray spectrum of a BALQSO yet. We find the following: (1) The source is not intrinsically X-ray weak. (2) The line-of-sight absorption is very strong, with N(sub H) = 5 x 10(exp 23)/sq cm. (3) The absorber does not cover the source completely; the covering fraction is approx. 90%. This is consistent with the large optical polarization observed in this source, implying multiple lines of sight. The most surprising result of this observation is that (4) the spectrum of this BALQSO is not exactly similar to other radio-quiet quasars. The hard X-ray spectrum of PHL 5200 is steep, with the power-law spectral index alpha approx. 1.5. This is similar to the steepest hard X-ray slopes observed so far. At low redshifts, such steep slopes are observed in narrow-line Seyfert 1 (NLS1) galaxies, believed to be accreting at a high Eddington rate. This observation strengthens the analogy between BALQSOs and NLS1 galaxies and supports the hypothesis that BALQSOs represent an early evolutionary state of quasars. It is well accepted that the orientation to the line of sight determines the appearance of a quasar: age seems to play a significant role as well.

  13. Understanding the two-photon absorption spectrum of PE2 platinum acetylide complex.

    PubMed

    Vivas, Marcelo G; De Boni, Leonardo; Cooper, Thomas M; Mendonca, Cleber R

    2014-07-31

    Herein, we report on the two-absorption cross-section spectrum of trans-Pt(PBu3)2 (C≡C-C6H4-C≡C-C6H5)2 (PE2) platinum acetylide complex employing the femtosecond wavelength-tunable Z-scan technique. The PE2 complex can be visualized as two branches containing two phenylacetylene units, each one linked by a platinum center, completely transparent in the visible region. Because of this structure, large delocalization of π-electrons allied to the strong intramolecular interaction between the branches is expected. The 2PA absorption spectrum was measured using the femtosecond wavelength-tunable Z-scan technique with low repetition rate (1 kHz), in order to obtain the 2PA spectrum without excited-state contributions. Our results reveal that PE2 in dichloromethane solution presents two 2PA allowed bands located at 570 and 710 nm, with cross section of about 320 and 45 GM, respectively. The first one is related to the strong intramolecular interaction between the molecule's branches due to the presence of platinum atom, while the second one is associated with the breaking of symmetry of the chromophore in solution due, most probably to a large twisting angle of the ligand's phenyl rings relative to the Pt core.

  14. NF3: UV Absorption Spectrum Temperature Dependence and the Atmospheric and Climate Forcing Implications

    NASA Technical Reports Server (NTRS)

    Papadimitriou, Vassileios C.; McGillen, Max R.; Fleming, Eric L.; Jackman, Charles H.; Burkholder, James B.

    2013-01-01

    Nitrogen trifluoride (NF3) is an atmospherically persistent greenhouse gas that is primarily removed by UV photolysis and reaction with O((sup 1)D) atoms. In this work, the NF3 gas-phase UV absorption spectrum, sigma(delta,T), was measured at 16 wavelengths between 184.95 and 250 nm at temperatures between 212 and 296 K. A significant spectrum temperature dependence was observed in the wavelength region most relevant to atmospheric photolysis (200-220 nm) with a decrease in sigma(210 nm,T) of approximately 45 percent between 296 and 212 K. Atmospheric photolysis rates and global annually averaged lifetimes of NF3 were calculated using the Goddard Space Flight Center 2-D model and the sigma(delta,T) parameterization developed in this work. Including the UV absorption spectrum temperature dependence increased the stratospheric photolysis lifetime from 610 to 762 years and the total global lifetime from 484 to 585 years; the NF3 global warming potentials on the 20-, 100-, and 500-year time horizons increased less than 0.3, 1.1, and 6.5 percent to 13,300, 17,700, and 19,700, respectively.

  15. Theoretical simulation of 87Rb absorption spectrum in a thermal cell

    NASA Astrophysics Data System (ADS)

    Cheng, Hong; Zhang, Shan-Shan; Xin, Pei-Pei; Cheng, Yuan; Liu, Hong-Ping

    2016-11-01

    In this paper, we present a theoretical simulation of 87Rb absorption spectrum in a thermal cm-cell which is adaptive to the experimental observation. In experiment, the coupling and probe beams are configured to copropagate but perpendicular polarized, making up to five velocity selective optical pumping (VSOP) absorption dips able to be identified. A Λ-type electromagnetically induced transparency (EIT) is also observed for each group of velocity-selected atoms. The spectrum by only sweeping the probe beam can be decomposed into a combination of Doppler-broadened background and three VSOP dips for each group of velocity-selected atoms, accompanied by an EIT peak. This proposed theoretical model can be used to simulate the spectrum adaptive to the experimental observation by the non-linear least-square fit method. The fit for the high quality of experimental observation can determine valuable transition parameters such as decaying rates and coupling beam power accurately. Project supported by the National Basic Research Program of China (Grant No. 2013CB922003) and the National Natural Science Foundation of China (Grant Nos. 91421305, 91121005, and 11174329).

  16. Simulation of energy absorption spectrum in NaI crystal detector for multiple gamma energy using Monte Carlo method

    SciTech Connect

    Wirawan, Rahadi; Waris, Abdul; Djamal, Mitra; Handayani, Gunawan

    2015-04-16

    The spectrum of gamma energy absorption in the NaI crystal (scintillation detector) is the interaction result of gamma photon with NaI crystal, and it’s associated with the photon gamma energy incoming to the detector. Through a simulation approach, we can perform an early observation of gamma energy absorption spectrum in a scintillator crystal detector (NaI) before the experiment conducted. In this paper, we present a simulation model result of gamma energy absorption spectrum for energy 100-700 keV (i.e. 297 keV, 400 keV and 662 keV). This simulation developed based on the concept of photon beam point source distribution and photon cross section interaction with the Monte Carlo method. Our computational code has been successfully predicting the multiple energy peaks absorption spectrum, which derived from multiple photon energy sources.

  17. New transient absorption observed in the spectrum of colloidal CdSe nanoparticles pumped with high-power femtosecond pulses

    SciTech Connect

    Burda, C.; Link, S.; Green, T.C.; El-Sayed, M.A.

    1999-12-09

    The power dependence of the transient absorption spectrum of CdSe nanoparticle colloids with size distribution of 4.0 {+-} 0.4 nm diameter is studied with femtosecond pump-probe techniques. At the lowest pump laser power, the absorption bleaching (negative spectrum) characteristic of the exciton spectrum is observed with maxima at 560 and 480 nm. As the pump laser power increases, two new transient absorptions at 510 and 590 nm with unresolved fast rise (<100 fs) and long decay times ({much{underscore}gt}150 ps) are observed. The energy of each of the positive absorption is red shifted from that of the bleach bands by {approximately}120 MeV. The origin of this shift is discussed in terms of the effect of the internal electric field of the many electron-hole pairs formed within the quantum dot at the high pump intensity, absorption from a metastable excited state or the formation of biexcitons.

  18. Effect of Sn on the optical band gap determined using absorption spectrum fitting method

    SciTech Connect

    Heera, Pawan; Kumar, Anup; Sharma, Raman

    2015-05-15

    We report the preparation and the optical studies on tellurium rich glasses thin films. The thin films of Se{sub 30}Te{sub 70-x} Sn{sub x} system for x= 0, 1.5, 2.5 and 4.5 glassy alloys prepared by melt quenching technique are deposited on the glass substrate using vacuum thermal evaporation technique. The analysis of absorption spectra in the spectral range 400nm–4000 nm at room temperature obtained from UV-VIS-NIR spectrophotometer [Perkin Elmer Lamda-750] helps us in the optical characterization of the thin films under study. The absorption spectrum fitting method is applied by using the Tauc’s model for estimating the optical band gap and the width of the band tail of the thin films. The optical band gap is calculated and is found to decrease with the Sn content.

  19. Jet-cooled infrared absorption spectrum of the v4 fundamental band of HCOOH and HCOOD

    NASA Astrophysics Data System (ADS)

    Luo, Wei; Zhang, Yulan; Li, Wenguang; Duan, Chuanxi

    2017-04-01

    The jet-cooled absorption spectrum of the v4 fundamental band of normal formic acid (HCOOH) and deuterated formic acid (HCOOD) was recorded in the frequency range of 1370-1392 cm-1 with distributed-feedback quantum cascade lasers (DFB-QCLs) as the tunable infrared radiations. A segmented rapid-scan data acquisition scheme was developed for pulsed supersonic jet infrared laser absorption spectroscopy based on DFB-QCLs with a moderate vacuum pumping capacity. The unperturbed band-origin and rotational constants in the excited vibrational state were determined for both HCOOH and HCOOD. The unperturbed band-origin locates at 1379.05447(11) cm-1 for HCOOH, and 1366.48430(39) cm-1 for HCOOD, respectively.

  20. INCIDENCE OF Mg II ABSORPTION SYSTEMS TOWARD FLAT-SPECTRUM RADIO QUASARS

    SciTech Connect

    Chand, Hum; Gopal-Krishna E-mail: krishna@ncra.tifr.res.in

    2012-07-20

    The conventional wisdom that the rate of incidence of Mg II absorption systems, dN/dz (excluding 'associated systems' having a velocity {beta}c relative to the active galactic nucleus (AGN) of less than {approx}5000 km s{sup -1}), is totally independent of the background AGNs has been challenged by a recent finding that dN/dz for strong Mg II absorption systems toward distant blazars is 2.2 {+-} {sup 0.8}{sub 0.6} times the value known for normal optically selected quasars (QSOs). This has led to the suggestion that a significant fraction of even the absorption systems with {beta} as high as {approx}0.1 may have been ejected by the relativistic jets in the blazars, which are expected to be pointed close to our direction. Here, we investigate this scenario using a large sample of 115 flat-spectrum radio-loud quasars (FSRQs) that also possess powerful jets, but are only weakly polarized. We show, for the first time, that dN/dz toward FSRQs is, on the whole, quite similar to that known for QSOs and that the comparative excess of strong Mg II absorption systems seen toward blazars is mainly confined to {beta} < 0.15. The excess relative to FSRQs probably results from a likely closer alignment of blazar jets with our direction; hence, any gas clouds accelerated by them are more likely to be on the line of sight to the active quasar nucleus.

  1. Comparison of path integral molecular dynamics methods for the infrared absorption spectrum of liquid water

    NASA Astrophysics Data System (ADS)

    Habershon, Scott; Fanourgakis, George S.; Manolopoulos, David E.

    2008-08-01

    The ring polymer molecular dynamics (RPMD) and partially adiabatic centroid molecular dynamics (PA-CMD) methods are compared and contrasted in an application to the infrared absorption spectrum of a recently parametrized flexible, polarizable, Thole-type potential energy model for liquid water. Both methods predict very similar spectra in the low-frequency librational and intramolecular bending region at wavenumbers below 2500 cm-1. However, the RPMD spectrum is contaminated in the high-frequency O-H stretching region by contributions from the internal vibrational modes of the ring polymer. This problem is avoided in the PA-CMD method, which adjusts the elements of the Parrinello-Rahman mass matrix so as to shift the frequencies of these vibrational modes beyond the spectral range of interest. PA-CMD does not require any more computational effort than RPMD and it is clearly the better of the two methods for simulating vibrational spectra.

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

    PubMed

    Zakari-Issoufou, A-A; Fallot, M; Porta, A; Algora, A; Tain, J L; Valencia, E; Rice, S; Bui, V M; Cormon, S; Estienne, M; Agramunt, J; Äystö, J; Bowry, M; Briz, J A; Caballero-Folch, R; Cano-Ott, D; Cucoanes, A; Elomaa, V-V; Eronen, T; Estévez, E; Farrelly, G F; Garcia, A R; Gelletly, W; Gomez-Hornillos, M B; Gorlychev, V; Hakala, J; Jokinen, A; Jordan, M D; Kankainen, A; Karvonen, P; Kolhinen, V S; Kondev, F G; Martinez, T; Mendoza, E; Molina, F; Moore, I; Perez-Cerdán, A B; Podolyák, Zs; Penttilä, H; Regan, P H; Reponen, M; Rissanen, J; Rubio, B; Shiba, T; Sonzogni, A A; Weber, C

    2015-09-04

    The antineutrino spectra measured in recent experiments at reactors are inconsistent with calculations based on the conversion of integral beta spectra recorded at the ILL reactor. (92)Rb makes the dominant contribution to the reactor antineutrino spectrum in the 5-8 MeV range but its decay properties are in question. We have studied (92)Rb decay with total absorption spectroscopy. Previously unobserved beta feeding was seen in the 4.5-5.5 region and the GS to GS feeding was found to be 87.5(25)%. The impact on the reactor antineutrino spectra calculated with the summation method is shown and discussed.

  3. CFCl3 (CFC-11): UV absorption spectrum temperature dependence measurements and the impact on its atmospheric lifetime and uncertainty

    NASA Astrophysics Data System (ADS)

    McGillen, Max R.; Fleming, Eric L.; Jackman, Charles H.; Burkholder, James B.

    2013-09-01

    (CFC-11) is both an atmospheric ozone-depleting and potent greenhouse gas that is removed primarily via stratospheric UV photolysis. Uncertainty in the temperature dependence of its UV absorption spectrum is a significant contributing factor to the overall uncertainty in its global lifetime and, thus, model calculations of stratospheric ozone recovery and climate change. In this work, the CFC-11 UV absorption spectrum was measured over a range of wavelength (184.95-230 nm) and temperature (216-296 K). We report a spectrum temperature dependence that is less than that currently recommended for use in atmospheric models. The impact on its atmospheric lifetime was quantified using a 2-D model and the spectrum parameterization developed in this work. The calculated global annually averaged lifetime was 58.1 ± 0.7 years (2σ uncertainty due solely to the spectrum uncertainty). The lifetime is slightly reduced and the uncertainty significantly reduced from that obtained using current UV spectrum recommendations.

  4. CFCI3 (CFC-11): UV Absorption Spectrum Temperature Dependence Measurements and the Impact on Atmospheric Lifetime and Uncertainty

    NASA Technical Reports Server (NTRS)

    Mcgillen, Max R.; Fleming, Eric L.; Jackman, Charles H.; Burkholder, James B.

    2014-01-01

    CFCl3 (CFC-11) is both an atmospheric ozone-depleting and potent greenhouse gas that is removed primarily via stratospheric UV photolysis. Uncertainty in the temperature dependence of its UV absorption spectrum is a significant contributing factor to the overall uncertainty in its global lifetime and, thus, model calculations of stratospheric ozone recovery and climate change. In this work, the CFC-11 UV absorption spectrum was measured over a range of wavelength (184.95 - 230 nm) and temperature (216 - 296 K). We report a spectrum temperature dependence that is less than currently recommended for use in atmospheric models. The impact on its atmospheric lifetime was quantified using a 2-D model and the spectrum parameterization developed in this work. The obtained global annually averaged lifetime was 58.1 +- 0.7 years (2 sigma uncertainty due solely to the spectrum uncertainty). The lifetime is slightly reduced and the uncertainty significantly reduced from that obtained using current spectrum recommendations

  5. Efficient Algorithms for Estimating the Absorption Spectrum within Linear Response TDDFT

    SciTech Connect

    Brabec, Jiri; Lin, Lin; Shao, Meiyue; Govind, Niranjan; Yang, Chao; Saad, Yousef; Ng, Esmond

    2015-10-06

    We present two iterative algorithms for approximating the absorption spectrum of molecules within linear response of time-dependent density functional theory (TDDFT) framework. These methods do not attempt to compute eigenvalues or eigenvectors of the linear response matrix. They are designed to approximate the absorption spectrum as a function directly. They take advantage of the special structure of the linear response matrix. Neither method requires the linear response matrix to be constructed explicitly. They only require a procedure that performs the multiplication of the linear response matrix with a vector. These methods can also be easily modified to efficiently estimate the density of states (DOS) of the linear response matrix without computing the eigenvalues of this matrix. We show by computational experiments that the methods proposed in this paper can be much more efficient than methods that are based on the exact diagonalization of the linear response matrix. We show that they can also be more efficient than real-time TDDFT simulations. We compare the pros and cons of these methods in terms of their accuracy as well as their computational and storage cost.

  6. Efficient Algorithms for Estimating the Absorption Spectrum within Linear Response TDDFT.

    PubMed

    Brabec, Jiri; Lin, Lin; Shao, Meiyue; Govind, Niranjan; Yang, Chao; Saad, Yousef; Ng, Esmond G

    2015-11-10

    We present a special symmetric Lanczos algorithm and a kernel polynomial method (KPM) for approximating the absorption spectrum of molecules within the linear response time-dependent density functional theory (TDDFT) framework in the product form. In contrast to existing algorithms, the new algorithms are based on reformulating the original non-Hermitian eigenvalue problem as a product eigenvalue problem and the observation that the product eigenvalue problem is self-adjoint with respect to an appropriately chosen inner product. This allows a simple symmetric Lanczos algorithm to be used to compute the desired absorption spectrum. The use of a symmetric Lanczos algorithm only requires half of the memory compared with the nonsymmetric variant of the Lanczos algorithm. The symmetric Lanczos algorithm is also numerically more stable than the nonsymmetric version. The KPM algorithm is also presented as a low-memory alternative to the Lanczos approach, but the algorithm may require more matrix-vector multiplications in practice. We discuss the pros and cons of these methods in terms of their accuracy as well as their computational and storage cost. Applications to a set of small and medium-sized molecules are also presented.

  7. Revealing spectral features in two-photon absorption spectrum of Hoechst 33342: a combined experimental and quantum-chemical study.

    PubMed

    Olesiak-Banska, Joanna; Matczyszyn, Katarzyna; Zaleśny, Robert; Murugan, N Arul; Kongsted, Jacob; Ågren, Hans; Bartkowiak, Wojciech; Samoc, Marek

    2013-10-10

    We present the results of wide spectral range Z-scan measurements of the two-photon absorption (2PA) spectrum of the Hoechst 33342 dye. The strongest 2PA of the dye in aqueous solution is found at 575 nm, and the associated two-photon absorption cross section is 245 GM. A weak but clearly visible 2PA band at ∼850 nm is also observed, a feature that could not be anticipated from the one-photon absorption spectrum. On the basis of the results of hybrid quantum mechanics/molecular mechanics calculations, we put forward a notion that the long-wavelength feature observed in the two-photon absorption spectrum of Hoechst 33342 is due to the formation of dye aggregates.

  8. Frequency-domain method for measuring spectral properties in multiple-scattering media: methemoglobin absorption spectrum in a tissuelike phantom

    NASA Astrophysics Data System (ADS)

    Fishkin, Joshua B.; So, Peter T. C.; Cerussi, Albert E.; Gratton, Enrico; Fantini, Sergio; Franceschini, Maria Angela

    1995-03-01

    We have measured the optical absorption and scattering coefficient spectra of a multiple-scattering medium (i.e., a biological tissue-simulating phantom comprising a lipid colloid) containing methemoglobin by using frequency-domain techniques. The methemoglobin absorption spectrum determined in the multiple-scattering medium is in excellent agreement with a corrected methemoglobin absorption spectrum obtained from a steady-state spectrophotometer measurement of the optical density of a minimally scattering medium. The determination of the corrected methemoglobin absorption spectrum takes into account the scattering from impurities in the methemoglobin solution containing no lipid colloid. Frequency-domain techniques allow for the separation of the absorbing from the scattering properties of multiple-scattering media, and these techniques thus provide an absolute

  9. Photodissociation of carbon dioxide in singlet valence electronic states. II. Five state absorption spectrum and vibronic assignment.

    PubMed

    Grebenshchikov, Sergy Yu

    2013-06-14

    The absorption spectrum of CO2 in the wavelength range 120-160 nm is analyzed by means of quantum mechanical calculations performed using vibronically coupled potential energy surfaces of five singlet valence electronic states and the coordinate dependent transition dipole moment vectors. The thermally averaged spectrum, calculated for T = 190 K via Boltzmann averaging of optical transitions from many initial rotational states, accurately reproduces the experimental spectral envelope, consisting of a low and a high energy band, the positions of the absorption maxima, their FWHMs, peak intensities, and frequencies of diffuse structures in each band. Contributions of the vibronic interactions due to Renner-Teller coupling, conical intersections, and the Herzberg-Teller effect are isolated and the calculated bands are assigned in terms of adiabatic electronic states. Finally, diffuse structures in the calculated bands are vibronically assigned using wave functions of the underlying resonance states. It is demonstrated that the main progressions in the high energy band correspond to consecutive excitations of the pseudorotational motion along the closed loop of the CI seam, and progressions differ in the number of nodes along the radial mode perpendicular to the closed seam. Irregularity of the diffuse peaks in the low energy band is interpreted as a manifestation of the carbene-type "cyclic" OCO minimum.

  10. Absorption spectrum, mass spectrometric properties, and electronic structure of 1,2-benzoquinone.

    PubMed

    Albarran, Guadalupe; Boggess, William; Rassolov, Vitaly; Schuler, Robert H

    2010-07-22

    Absorption spectrophotometric and mass spectrometric properties of 1,2-benzoquinone, prepared in aqueous solution by the hexachloroiridate(IV) oxidation of catechol and isolated by HPLC, are reported. Its absorption spectrum has a broad moderately intense band in the near UV with an extinction coefficient of 1370 M(-1)cm(-1) at its 389 nm maximum. The oscillator strength of this band contrasts with those of the order-of-magnitude stronger approximately 250 nm bands of most 1,4-benzoquinones. Gaussian analysis of its absorption spectrum indicates that it also has modestly intense higher energy bands in the 250-320 nm region. In atmospheric pressure mass spectrometric studies 1,2-benzoquinone exhibits very strong positive and negative mass 109 signals that result from the addition of protons and hydride ions in APCI and ESI ion sources. It is suggested that the hydride adduct is formed as the result of the highly polar character of ortho-quinone. On energetic collision the hydride adduct loses an H atom to produce the 1,2-benzosemiquinone radical anion. The present studies also show that atmospheric pressure mass spectral patterns observed for catechol are dominated by signals of 1,2-benzoquinone resulting from oxidation of catechol in the ion sources. Computational studies of the electronic structures of 1,2-benzoquinone, its proton and hydride ion adducts, and 1,2-benzosemiquinone radical anion are reported. These computational studies show that the structures of the proton and hydride adducts are similar and indicate that the hydride adduct is the proton adduct of a doubly negatively charged 1,2-benzoquinone. The contrast between the properties of 1,2- and 1,4-benzoquinone provides the basis for considerations on the effects of conjugation in aromatic systems.

  11. The anomalous X-ray absorption spectrum of Vela X-1

    NASA Technical Reports Server (NTRS)

    Kallman, T. R.; White, N. E.

    1982-01-01

    The HEAO 2 satellite's Solid State Spectrometer and Monitor Proportional Counter was used to observe one orbit of the massive X-ray binary Vela X-1. Using spectral fits to the data as a function of orbital phase, the column density and state of the material along the line of sight to the X-ray source has been inferred. The spectrum near orbital phase 0.2 compares favorably with absorption by neutral material with a column density corresponding to plausible values of stellar wind velocity law and total primary mass loss rate. Spectra at later orbital phases, which show unexpected strong absorption features near 2.0 and 2.5 keV, are interpreted as due to absorption by material with suppressed opacity below 2.0 keV. The opacity required to produce the observed features implies either the presence of an intense soft X-ray flux, or altered elemental abundances in the gas near Vela X-1.

  12. Molecular level all-optical logic with chlorophyll absorption spectrum and polarization sensitivity

    NASA Astrophysics Data System (ADS)

    Raychaudhuri, B.; Bhattacharyya (Bhaumik), S.

    2008-06-01

    Chlorophyll is suggested as a suitable medium for realizing optical Boolean logic at the molecular level in view of its wavelength-selective property and polarization sensitivity in the visible region. Spectrophotometric studies are made with solutions of total chlorophyll and chromatographically isolated components, viz. chlorophyll a and b and carotenoids extracted from pumpkin leaves of different maturity stages. The absorption features of matured chlorophyll with two characteristic absorption peaks and one transmission band are molecular properties and independent of concentration. A qualitative explanation of such an absorption property is presented in terms of a ‘particle in a box’ model and the property is employed to simulate two-input optical logic operations. If both of the inputs are either red or blue, absorption is high. If either one is absent and replaced by a wavelength of the transmission band, e.g. green, absorption is low. Assigning these values as 0 s or 1 s, AND and OR operations can be performed. A NOT operation can be simulated with the transmittance instead of the absorbance. Also, the shift in absorbance values for two different polarizations of the same monochromatic light can simulate two logical states with a single wavelength. Cyclic change in absorbance is noted over a rotation of 360° for both red and blue peaks, although the difference is not very large. Red monochromatic light with polarizations apart by 90°, corresponding to maximum and minimum absorption, respectively, may be assigned as the two logical states. The fluorescence emissions for different pigment components are measured at different excitation wavelengths and the effect of fluorescence on the red absorbance is concluded to be negligible.

  13. Optical absorption spectrum and electronic structure of multiferroic hexagonal YMnO3 compound

    NASA Astrophysics Data System (ADS)

    Lima, A. F.; Lalic, M. V.

    2017-02-01

    Optical absorption (OA) spectrum and electronic structure of the hexagonal YMnO3 compound have been investigated by employment of the first-principles calculations based on density functional theory. The calculations were performed upon the ferroelectric structure of the YMnO3, by testing various approximations of the exchange-correlation effects between the Mn d-electrons and considering two types of magnetic ordering of the Mn sub-lattice: (1) collinear anti-ferromagnetic order of the G-type and (2) non-collinear antiferromagnetic order that correspond to magnetic space group P63. The results demonstrate that satisfactory agreement between the theoretical and the experimental OA spectrum can be achieved only if both non-collinear anti-ferromagnetic order of the Mn spins and strong correlations between the Mn d-electrons are taken into account. The latter is found to be best described by effective Hubbard parameter Ueff = 2.55 eV. The principal features of the OA spectrum are interpreted in terms of calculated electronic structure. It is found that the most important, threshold 1.6 eV OA peak is generated by electron transitions from strongly hybridized occupied Mn d- and its neighboring in-plane O p-states to unoccupied Mn d-states. It is also concluded that the electronic gap (calculated as ∼1.1 eV) should be smaller than the optical one (∼1.6 eV).

  14. Absorption of Beta Particles in Different Materials: An Undergraduate Experiment

    ERIC Educational Resources Information Center

    La Rocca, Paola; Riggi, Francesco

    2009-01-01

    The absorption of beta rays from a radioactive source in different materials was investigated by the use of a simple setup based on a Geiger counter and a set of absorber sheets. The number of electrons traversing the material was measured as a function of its thickness. Detailed GEANT simulations were carried out to reproduce the obtained…

  15. The Mandarin Childhood Autism Spectrum Test (CAST): Sex Differences

    ERIC Educational Resources Information Center

    Sun, Xiang; Allison, Carrie; Auyeung, Bonnie; Matthews, Fiona E.; Sharp, Stephen J.; Baron-Cohen, Simon; Brayne, Carol

    2014-01-01

    Sex differences in social and communication behaviours related to autism spectrum conditions (ASC) have been investigated mainly in Western populations. Little research has been done in Chinese populations. This study explored sex differences related to ASC characteristics by examining differences in item responses and score distributions in…

  16. Matrix-Isolated Infrared Absorption Spectrum of CH2IOO Radical.

    PubMed

    Zhang, Xu; Sander, Stanley P; Cheng, Lan; Thimmakondu, Venkatesan S; Stanton, John F

    2016-01-21

    The peroxyiodomethyl radical, CH2IOO, was generated in cryogenic matrices using tandem supersonic nozzles. One hyperthermal nozzle decomposes diiodomethane (CH2I2) to generate intense beams of CH2I radicals, while the second nozzle continuously deposits O2/argon (Ar) on the matrix at 10 K. The CH2I and O2 in the Ar matrix react to produce the target peroxy radical (CH2IOO). The absorption spectra of the products are monitored with a Fourier transform infrared spectrometer. Eight of the 12 fundamental infrared bands for CH2IOO were observed in an argon matrix at 5 K. The experimental frequencies (cm(-1)) are ν3 = 1407.3, ν4 = 1230.4, ν5 = 1223.2, ν6 = 1085.3, ν7 = 919.9, ν8 = 839.9, ν9 = 567.5, and ν10 = 496.2. Additional confirmation for the vibrational assignment comes from a study of the CH2I(18)O(18)O isotopic species. The six observed frequencies (cm(-1)) for CH2I(18)O(18)O are ν3 = 1407.8, ν4 = 1228.0, ν6 = 1030.8, ν7 = 899.6, ν8 = 836.0, and ν10 = 494.6. Unlike CH2I(16)O(16)O, the ν5 and ν9 bands were not observed for CH2I(18)O(18)O. To guide the experimental analysis, ab initio calculations of the infrared spectrum based on second-order vibrational perturbation theory were performed using force fields computed with relativistic coupled-cluster methods. The experimental frequencies are shown to be in good agreement with the computed fundamental frequencies except for ν9 (for CH2IOO) and ν10 (for CH2I(18)O(18)O). Our findings were compared with the study by Lee and Lee conducted in a para-H2 matrix. The fundamental frequencies are in good agreement (within 6 cm(-1)) except for the two low-frequency modes, ν9 (for CH2IOO) and ν10 (for CH2I(18)O(18)O) likely due to different matrix shifts for para-H2 and Ar matrices. In addition, our calculations are in somewhat better agreement with the experiment values than the calculations by Lee and Lee. Our study also shows that reaction CH2I + O2 produces the peroxy radical CH2IOO in cold matrices (10

  17. The Millimeter Direct Absorption and Fourier Transform Microwave Spectrum of Vanadium Sulfide (X^{4}Σ^{-})

    NASA Astrophysics Data System (ADS)

    Adande, Gilles; Ziurys, L. M.

    2013-06-01

    The pure rotational spectrum of VS (X^{4}Σ^{-} ) has been measured with Fourier transform microwave (FTMW) and millimeter-wave direct absorption methods in the frequency range of 5-40 GHz and 210-315 GHz. Discharge assisted laser ablation (DALAS) of a vanadium rod in presence of H_{2}S gas was used to synthesize the radical in the microwave region. In the millimeter-wave range, the species was produced from the mixture of CS_{2} and VCl_{4} vapor in a DC discharge. The hyperfine structure was resolved and accurate fine and hyperfine parameters were obtained. Insights into the bonding character can be gleamed from the hyperfine constants, and an estimate of the position of two low-lying interacting electronic states can be obtain from the fine structure parameters. Details of these results will be discussed.

  18. Infrared absorption spectrum of the simplest Criegee intermediate CH2OO.

    PubMed

    Su, Yu-Te; Huang, Yu-Hsuan; Witek, Henryk A; Lee, Yuan-Pern

    2013-04-12

    The Criegee intermediates are carbonyl oxides postulated to play key roles in the reactions of ozone with unsaturated hydrocarbons; these reactions constitute an important mechanism for the removal of unsaturated hydrocarbons and for the production of OH in the atmosphere. Here, we report the transient infrared (IR) absorption spectrum of the simplest Criegee intermediate CH2OO, produced from CH2I + O2 in a flow reactor, using a step-scan Fourier-transform spectrometer. The five observed bands provide definitive identification of this intermediate. The observed vibrational frequencies are more consistent with a zwitterion rather than a diradical structure of CH2OO. The direct IR detection of CH2OO should prove useful for kinetic and mechanistic investigations of the Criegee mechanism.

  19. Absorption Features in the X-ray Spectrum of an Ordinary Radio Pulsar

    NASA Astrophysics Data System (ADS)

    Kargaltsev, Oleg; Durant, Martin; Misanovic, Zdenka; Pavlov, George G.

    2012-08-01

    The vast majority of known nonaccreting neutron stars (NSs) are rotation-powered radio and/or γ-ray pulsars. So far, their multiwavelength spectra have all been described satisfactorily by thermal and nonthermal continuum models, with no spectral lines. Spectral features have, however, been found in a handful of exotic NSs and were thought to be a manifestation of their unique traits. Here, we report the detection of absorption features in the x-ray spectrum of an ordinary rotation-powered radio pulsar, J1740+1000. Our findings bridge the gap between the spectra of pulsars and other, more exotic, NSs, suggesting that the features are more common in the NS spectra than they have been thought so far.

  20. The UV-vis absorption spectrum of the flavonol quercetin in methanolic solution: A theoretical investigation.

    PubMed

    Andrade-Filho, T; Ribeiro, T C S; Del Nero, J

    2009-07-01

    The UV-vis absorption spectrum of the solvated quercetin molecule in methanol was investigated theoretically by means of an elegant type of QM/MM scheme better known as sequential Monte Carlo/quantum mechanics (S-MC/QM) methodology. A set of 125 uncorrelated Monte Carlo molecular liquid structures were properly selected through the autocorrelation function of the energy in order to be used in the quantum mechanical calculations. These molecular liquid structures were obtained by means of the radial and minimum distance distribution functions. A detailed account of the pattern of hydrogen bond structures obtained in this study is also available. The computed results obtained here were directly compared with the available experimental data in order to validate our theoretical model and through this comparison a very good conformity between theoretical and available experimental results was found.

  1. Temperature effect on the two-photon absorption spectrum of all-trans-β-carotene.

    PubMed

    Vivas, M G; Mendonca, C R

    2012-07-05

    In this report, we investigate the influence of temperature on the two-photon absorption (2PA) spectrum of all-trans-β-carotene using the femtosecond white-light-continuum Z-scan technique. We observed that the 2PA cross-section decreases quadratically with the temperature. Such effect was modeled using a three-energy-level diagram within the sum-over-essential states approach, assuming temperature dependencies to the transition dipole moment and refractive index of the solvent. The results show that the transition dipole moments from ground to excited state and between the excited states, which governed the two-photon matrix element, have distinct behaviors with the temperature. The first one presents a quadratic dependence, while the second exhibits a linear dependence. Such effects were attributed mainly to the trans→cis thermal interconversion process, which decreases the effective conjugation length, contributing to diminishing the transition dipole moments and, consequently, the 2PA cross-section.

  2. Absorption features in the x-ray spectrum of an ordinary radio pulsar.

    PubMed

    Kargaltsev, Oleg; Durant, Martin; Misanovic, Zdenka; Pavlov, George G

    2012-08-24

    The vast majority of known nonaccreting neutron stars (NSs) are rotation-powered radio and/or γ-ray pulsars. So far, their multiwavelength spectra have all been described satisfactorily by thermal and nonthermal continuum models, with no spectral lines. Spectral features have, however, been found in a handful of exotic NSs and were thought to be a manifestation of their unique traits. Here, we report the detection of absorption features in the x-ray spectrum of an ordinary rotation-powered radio pulsar, J1740+1000. Our findings bridge the gap between the spectra of pulsars and other, more exotic, NSs, suggesting that the features are more common in the NS spectra than they have been thought so far.

  3. Analysis of ultraviolet absorption spectrum of Chinese herbal medicine-Cortex Fraxini by double ANN

    NASA Astrophysics Data System (ADS)

    Bai, Lifei; Zhang, Haitao; Wang, Hongxia; Li, Junfeng; Lu, Lei; Zhang, Hanqi; Wang, Hongyan

    2006-11-01

    A fast, accurate and convenient method for the simultaneous determination of multi-component in the Chinese herbal medicine was proposed by using ultraviolet absorption spectrum. In this method, dummy components were added to training sample, and a double artificial neural network (DANN) that has the function of high self-revision and self-simulation was used. Effect of other interference components could be eliminated by adjusting concentration of dummy components. Therefore, the accuracy of concentration prediction for multi-component in the complicated Chinese herbal medicine was improved. It has been realized that two effective components of Cortex Fraxini, aesculin and aesculetin, were simultaneously determined, without any separation. The predicted accuracy was 92% within the permitted relative errors. The measurement precisions of the aesculin and aesculetin were 0.37% and 1.5%, respectively.

  4. Gender Differences in Symptoms of Autism Spectrum Disorders in Toddlers

    ERIC Educational Resources Information Center

    Sipes, Megan; Matson, Johnny L.; Worley, Julie A.; Kozlowski, Alison M.

    2011-01-01

    Gender differences in symptoms representing the triad of impairments of Autism Spectrum Disorders remain unclear. To date, the majority of research conducted on this topic has utilized samples of older children. Thus, the purpose of the current study was to utilize a sample of toddlers to investigate gender differences in symptom endorsements of…

  5. Sex Differences in Toddlers with Autism Spectrum Disorders

    ERIC Educational Resources Information Center

    Carter, Alice S.; Black, David O.; Tewani, Sonia; Connolly, Christine E.; Kadlec, Mary Beth; Tager-Flusberg, Helen

    2007-01-01

    Although autism spectrum disorders (ASD) prevalence is higher in males than females, few studies address sex differences in developmental functioning or clinical manifestations. Participants in this study of sex differences in developmental profiles and clinical symptoms were 22 girls and 68 boys with ASD (mean age = 28 months). All children…

  6. Tight binding model of conformational disorder effects on the optical absorption spectrum of polythiophenes.

    PubMed

    Bombile, Joel H; Janik, Michael J; Milner, Scott T

    2016-05-14

    Semiconducting polymers are soft materials with many conformational degrees of freedom. The limited understanding of how conformational disorder affects their optoelectronic properties is a key source of difficulties that limits their widespread usage in electronic devices. We develop a coarse-grained approach based on the tight binding approximation to model the electronic degrees of freedom of polythiophene chains, taking into account conformational degrees of freedom. Particularly important is dihedral disorder, which disrupts extended electronic states. Our tight binding model is parameterized using density functional theory (DFT) calculations of the one-dimensional band structures for chains with imposed periodic variations in dihedral angles. The model predicts valence and conduction bands for these chain conformations that compare well to DFT results. As an initial application of our model, we compute the optical absorption spectrum of poly(3-hexylthiophene) chains in solution. We observe a broadening of the absorption edge resulting from dihedral disorder, just shy of the experimental broadening. We conclude that the effects of molecular disorder on the optoelectronic properties of conjugated polymer single chains can be mostly accounted for by torsional disorder alone.

  7. CHBr3 (bromoform): Revised UV Absorption Spectrum and Atmospheric Photolysis Rates

    NASA Astrophysics Data System (ADS)

    Burkholder, J. B.; Papanastasiou, D.; McKeen, S. A.

    2013-12-01

    CHBr3 (bromoform) is a short-lived atmospheric trace compound primarily of natural origin that is a source of reactive bromine in both the troposphere and stratosphere. Estimating the impact of CHBr3 on the environment and its transport to the stratosphere requires a thorough understanding of its atmospheric loss processes, which are primarily UV photolysis and reaction with the OH radical. In this presentation, new measurements of the UV absorption spectrum of CHBr3 will be presented. Spectra were measured at wavelengths between 300 and 345 nm at temperatures between 260 and 330 K using cavity ring-down spectroscopy. The present results will be compared with currently recommended values for use in atmospheric modeling taken from Moortgat et al. [The tropospheric chemistry of ozone in the polar regions, edited by H. Niki and K. H. Becker, Springer-Verlag Berlin Heidelberg, 1993]. The discrepancies and impact on CHBr3 photolysis lifetime will be discussed. A parameterization of the CHBr3 UV spectrum for use in atmospheric models will be presented and local photolysis rate calculations used to highlight the impact of the revised cross section data on local lifetimes and the relative importance of photolysis loss versus reaction with the OH radical. The results from the present study will contribute to a better understanding (and accuracy) of estimates of stratospheric ozone loss due to very short-lived brominated substances.

  8. Refinement of the ice absorption spectrum in the visible using radiance profile measurements in Antarctic snow

    NASA Astrophysics Data System (ADS)

    Picard, Ghislain; Libois, Quentin; Arnaud, Laurent

    2016-11-01

    Ice is a highly transparent material in the visible. According to the most widely used database (IA2008; Warren and Brandt, 2008), the ice absorption coefficient reaches values lower than 10-3 m-1 around 400 nm. These values were obtained from a vertical profile of spectral radiance measured in a single snow layer at Dome C in Antarctica. We reproduced this experiment using an optical fiber inserted in the snow to record 56 profiles from which 70 homogeneous layers were identified. Applying the same estimation method on every layer yields 70 ice absorption spectra. They present a significant variability but absorption coefficients are overall larger than IA2008 by 1 order of magnitude at 400-450 nm. We devised another estimation method based on Bayesian inference that treats all the profiles simultaneously. It reduces the statistical variability and confirms the higher absorption, around 2 × 10-2 m-1 near the minimum at 440 nm. We explore potential instrumental artifacts by developing a 3-D radiative transfer model able to explicitly account for the presence of the fiber in the snow. The simulation shows that the radiance profile is indeed perturbed by the fiber intrusion, but the error on the ice absorption estimate is not larger than a factor of 2. This is insufficient to explain the difference between our new estimate and IA2008. The same conclusion applies regarding the plausible contamination by black carbon or dust, concentrations reported in the literature are insufficient. Considering the large number of profiles acquired for this study and other estimates from the Antarctic Muon and Neutrino Detector Array (AMANDA), we nevertheless estimate that ice absorption values around 10-2 m-1 at the minimum are more likely than under 10-3 m-1. A new estimate in the range 400-600 nm is provided for future modeling of snow, cloud, and sea-ice optical properties. Most importantly, we recommend that modeling studies take into account the large uncertainty of the ice

  9. Substituent and solvent effects on the UV-vis absorption spectrum of the photoactive yellow protein chromophore.

    PubMed

    García-Prieto, F Fernández; Aguilar, M A; Galván, I Fdez; Muñoz-Losa, A; Olivares del Valle, F J; Sánchez, M L; Martín, M E

    2015-05-28

    Solvent effects on the UV-vis absorption spectra and molecular properties of four models of the photoactive yellow protein (PYP) chromophore have been studied with ASEP/MD, a sequential quantum mechanics/molecular mechanics method. The anionic trans-p-coumaric acid (pCA(-)), thioacid (pCTA(-)), methyl ester (pCMe(-)), and methyl thioester (pCTMe(-)) derivatives have been studied in gas phase and in water solution. We analyze the modifications introduced by the substitution of sulfur by oxygen atoms and hydrogen by methyl in the coumaryl tail. We have found some differences in the absorption spectra of oxy and thio derivatives that could shed light on the different photoisomerization paths followed by these compounds. In solution, the spectrum substantially changes with respect to that obtained in the gas phase. The n → π1* state is destabilized by a polar solvent like water, and it becomes the third excited state in solution displaying an important blue shift. Now, the π → π1* and π → π2* states mix, and we find contributions from both transitions in S1 and S2. The presence of the sulfur atom modulates the solvent effect and the first two excited states become practically degenerate for pCA(-) and pCMe(-) but moderately well-separated for pCTA(-) and pCTMe(-).

  10. Multi-heterodyne molecular absorption spectrum detection of H13C14N based on dual frequency combs

    NASA Astrophysics Data System (ADS)

    Yang, Honglei; Wei, Haoyun; Li, Yan

    2014-11-01

    In order to acquire high-resolution molecular absorption spectrum, a measurement system consisting of two Erbium-doped fiber optical frequency combs based on multi-heterodyne detection method is established. Preliminary result shows that the specific line in the RF spectrum corresponding to 6452.59 cm-1 in the optical region, where there is an error of 0.14 cm-1 compared with the simulation result. And the further improvement of this system will be discussed in the end.

  11. Ethnicity, Families, and Autism Spectrum Disorders: Exploring the Differences

    ERIC Educational Resources Information Center

    Fantaroni, Grace Lauchmen

    2012-01-01

    The Problem. The purpose of this study was to investigate the difference in attitudes and supports between Caucasian and non-Caucasian parents of children diagnosed with Autism Spectrum Disorders. Method. A quasi-experimental study was conducted and 67 parents of children with ASD were given surveys which measured parental attitudes and their…

  12. Differences in the rare variant spectrum among human populations

    PubMed Central

    Mathieson, Iain; Reich, David

    2017-01-01

    Mutations occur at vastly different rates across the genome, and populations, leading to differences in the spectrum of segregating polymorphisms. Here, we investigate variation in the rare variant spectrum in a sample of human genomes representing all major world populations. We find at least two distinct signatures of variation. One, consistent with a previously reported signature is characterized by an increased rate of TCC>TTC mutations in people from Western Eurasia and South Asia, likely related to differences in the rate, or efficiency of repair, of damage due to deamination of methylated guanine. We describe the geographic extent of this signature and show that it is detectable in the genomes of ancient, but not archaic humans. The second signature is private to certain Native American populations, and is concentrated at CpG sites. We show that this signature is not driven by differences in the CpG mutation rate, but is a result of the fact that highly mutable CpG sites are more likely to undergo multiple independent mutations across human populations, and the spectrum of such mutations is highly sensitive to recent demography. Both of these effects dramatically affect the spectrum of rare variants across human populations, and should be taken into account when using mutational clocks to make inference about demography. PMID:28146552

  13. Sex Differences in Arab Children with Autism Spectrum Disorders

    ERIC Educational Resources Information Center

    Amr, Mostafa; Raddad, Dahoud; El-Mehesh, Fatima; Mahmoud, El-Hassanin; El-Gilany, Abdel-Hady

    2011-01-01

    Although autism spectrum disorders (ASD) prevalence is higher in males than females in Arab countries, few studies address sex differences in autistic symptoms and coexiting behavioral problems. A total of 37 boys and 23 girls recruited from three Arab countries (Egypt, Saudi Arabia, Jordan) matched for age and IQ. They were compared using Indian…

  14. The ultraviolet absorption spectrum of the quasar PKS 0405-12 and the local density of Lyman-alpha absorption systems

    NASA Technical Reports Server (NTRS)

    Bahcall, John N.; Jannuzi, Buell T.; Schneider, Donald P.; Hartig, George F.

    1993-01-01

    A sample of 32 absorption lines has been identified in the ultraviolet spectrum of the z = 0.57 quasar PKS 0405-12. Data cover the wavelength range 1190-3260 A. There are 10 extragalactic Ly-alpha absorption lines in the complete sample, all with observed equivalent widths greater than or equal to 0.40 A; three of the Ly-alpha lines have Ly-beta counterparts. The number of Ly-alpha lines observed in the spectrum of PKS 0405-12 is within 1 sigma of the number predicted on the basis of previous HST observations of 3C 273 and of H1821 + 643. Combining the HST observations of 3C 273, H1821 + 643, and PKS 0405-12, we estimate the local number density of Ly-alpha systems with rest equivalent widths larger than 0.32 A to be about 15 +/- 4 Ly-alpha lines per unit redshift. Ground-based images reveal a rich field of galaxies in the direction of PKS 0405-12, including many galaxies with the brightnesses and sizes expected if they belong to a cluster associated with the quasar. The quasar spectrum does not show any evidence for absorption at the redshift of the emission lines, indicating a covering factor of less than unity for the halos of galaxies in the cluster around PKS 0405 - 12.

  15. Defining the Absorption Spectrum of the Skin After Application of a Popular Sunless Tanner, Dihydroxyacetone, Using Re ectance Photospectrometry.

    PubMed

    Graves, Michael S; Lloyd, Amanda A; Ross, E Victor

    2016-11-01

    Dihydroxyacetone (DHA) is a popular ingredient in sunless tanner and lotions. We sought to measure the absorption spectrum of hu- man skin after application of DHA. A male in his 30's applied DHA to one underarm once daily for seven days. Re ectance spectropho- tometry was performed on the treated and untreated side. The area treated with DHA revealed increased absorption in the 400-700 nm range. Compared to normal skin, the absorption spectrum of human skin after application of DHA is altered from 400-700 nm. Care should be taking with using lasers in these wavelengths on skin treated with DHA. J Drugs Dermatol. 2016;15(11):1459-1460..

  16. Glitch-free X-ray absorption spectrum under high pressure obtained using nano-polycrystalline diamond anvils.

    PubMed

    Ishimatsu, Naoki; Matsumoto, Ken; Maruyama, Hiroshi; Kawamura, Naomi; Mizumaki, Masaichiro; Sumiya, Hitoshi; Irifune, Tetsuo

    2012-09-01

    Nano-polycrystalline diamond (NPD) [Irifune et al. (2003), Nature (London), 421, 599] has been used to obtain a glitch-free X-ray absorption spectrum under high pressure. In the case of conventional single-crystal diamond (SCD) anvils, glitches owing to Bragg diffraction from the anvils are superimposed on X-ray absorption spectra. The glitch has long been a serious problem for high-pressure research activities using X-ray spectroscopy because of the difficulties of its complete removal. It is demonstrated that NPD is one of the best candidate materials to overcome this problem. Here a glitch-free absorption spectrum using the NPD anvils over a wide energy range is shown. The advantage and capability of NPD anvils is discussed by a comparison of the glitch map with that of SCD anvils.

  17. Temperature sounding from the absorption spectrum of CO2 at 4.3 microns. [in stratosphere and lower mesosphere

    NASA Technical Reports Server (NTRS)

    Toth, R. A.

    1977-01-01

    A new method is described for obtaining the temperature profile in the stratosphere and lower mesosphere from observations of the absorption spectrum of the high J lines of carbon dioxide at 4.3 microns. This concept is based upon the measurement of the integrated absorption of individual CO2 lines whose strengths depend strongly on temperature and that the absorption of these lines are obtained from measurements of the solar or stellar spectrum through an atmospheric path. The technique involves a rapidly converging iterative process in which the equivalent widths of the individual vibration-rotation lines of CO2 are used. Theoretical calculations are presented for balloon and satellite observations using a model atmosphere. Experimental results are given from spectra obtained with a balloon-borne Fourier interferometer spectrometer in which the sun was observed at low zenith angles. The experimental results are compared to rocketsonde data.

  18. Shock absorption capacities of mouthguards in different types and thicknesses.

    PubMed

    Bemelmanns, P; Pfeiffer, P

    2001-02-01

    Although sports mouthguards provide protection against trauma, dentoalveolar injuries can still occur with the mouthguards in place. This study examined the effect of mouthguard protection in an in vitro model. A simulated maxilla, out of a polymethylmethacrylate (PMMA) arch, containing replaceable resin teeth, was used to assess the performance of different mouthguard designs. "Boil and bite" and custom-fitted mouthguards (ethylene vinyl acetate [EVA]) laminated with hard (poly-vinyl chloride [PVC]) or soft labial intermediate EVA layers were fabricated according to manufacturers' instructions. A steel ram was dropped onto the mouthguards at the maxillary incisor region. Changes in voltage, which were induced by a strain gauge at the back of the upper left incisor, were measured with an amplified voltmeter. Data were analysed by ANOVA at a significance level of 0.05. "Boil and bite" and mouthguards layered with silicone or with small hard PVC inserts of 1.5 mm thickness demonstrated less absorption and differed significantly from the other mouthguard systems (p < 0.05). Bilaminated mouthguards with hard PVC inserts of 0.8 mm, 1.5 mm or 2 mm thickness showed no significant differences to those with 1.5 mm thick (EVA) inserts. The absorption rates amounted to 33 % compared with the unprotected tooth.

  19. [The development of acetylene on-line monitoring technology based on laser absorption spectrum].

    PubMed

    He, Ying; Zhang, Yu-jun; Kan, Rui-feng; Xia, Hui; Wang, Min; Cui, Xiao-juan; Chen, Jiu-ying; Chen, Dong; Liu, Wen-qing; Liu, Jian-guo

    2008-10-01

    As one of the materials in organic chemical industry, acetylene has been used in many aspects of chemical industry. But acetylene is a very dangerous inflammable and explosive gas, so it needs in-situ monitoring during industrial storage and production. Tunable diode laser absorption spectroscopy (TDLAS) technology has been widely used in atmospheric trace gases detection, because it has a lot of advantageous characteristics, such as high sensitivity, good selectivity, and rapid time response. The distribution characteristics of absorption lines of acetylene in near infrared band were studied, and then the system designing scheme of acetylene on-line monitoring based on near infrared tunable diode laser absorption spectroscopy technology was discussed in detail. Moreover, the system of experiment measurement was set up and the method of signal detection and the algorithm of concentration inversion were studied. In addition, the sample cell with a path length of 10 cm, and the acetylene of different known concentrations were measured. As a result, the detection limit obtained reached 1.46 cm3 x m(-3). Finally the dynamic detection experiment was carried out, and the measurement result is stable and reliable, so the design of the system is practicable through experiment analysis. On-line acetylene leakage monitoring system was developed based on the experiment, and it is suitable for giving a leakage alarm of acetylene during its storage, transportation and use.

  20. Solvent dependence of structure, charge distribution, and absorption spectrum in the photochromic merocyanine-spiropyran pair.

    PubMed

    Murugan, N Arul; Chakrabarti, Swapan; Ågren, Hans

    2011-04-14

    We have studied the structures and absorption spectra of merocyanine, the photoresponsive isomer of the spiropyran (SP)-merocyanine (MC) pair, in chloroform and in water solvents using a combined hybrid QM/MM Car-Parrinello molecular dynamics (CP-QM/MM) and ZINDO approach. We report remarkable differences in the molecular structure and charge distribution of MC between the two solvents; the molecular structure of MC remains in neutral form in chloroform while it becomes charge-separated, zwitterionic, in water. The dipole moment of MC in water is about 50% larger than in chloroform, while the value for SP in water is in between, suggesting that the solvent is more influential than the conformation itself in deciding the dipole moment for the merocyanine-spiropyran pair. The calculations could reproduce the experimentally reported blue shift in the absorption spectra of MC when going from the nonpolar to the polar solvent, though the actual value of the absorption maximum is overestimated in chloroform solvent. We find that the CP-QM/MM approach is appropriate for structure modeling of solvatochromic and thermochromic molecules as this approach is able to capture the solvent and thermal-induced structural changes within the solute important for an accurate assessment of the properties.

  1. A variable absorption feature in the X-ray spectrum of a magnetar.

    PubMed

    Tiengo, Andrea; Esposito, Paolo; Mereghetti, Sandro; Turolla, Roberto; Nobili, Luciano; Gastaldello, Fabio; Götz, Diego; Israel, Gian Luca; Rea, Nanda; Stella, Luigi; Zane, Silvia; Bignami, Giovanni F

    2013-08-15

    Soft-γ-ray repeaters (SGRs) and anomalous X-ray pulsars (AXPs) are slowly rotating, isolated neutron stars that sporadically undergo episodes of long-term flux enhancement (outbursts) generally accompanied by the emission of short bursts of hard X-rays. This behaviour can be understood in the magnetar model, according to which these sources are mainly powered by their own magnetic energy. This is supported by the fact that the magnetic fields inferred from several observed properties of SGRs and AXPs are greater than-or at the high end of the range of-those of radio pulsars. In the peculiar case of SGR 0418+5729, a weak dipole magnetic moment is derived from its timing parameters, whereas a strong field has been proposed to reside in the stellar interior and in multipole components on the surface. Here we show that the X-ray spectrum of SGR 0418+5729 has an absorption line, the properties of which depend strongly on the star's rotational phase. This line is interpreted as a proton cyclotron feature and its energy implies a magnetic field ranging from 2 × 10(14) gauss to more than 10(15) gauss.

  2. Interstellar Absorption Lines in the Spectrum of the Starburst Galaxy NGC 1705

    NASA Astrophysics Data System (ADS)

    Sahu, M. S.

    1998-09-01

    A Goddard High Resolution Spectrograph archival study of the interstellar absorption lines in the line of sight to the H i-rich, starburst dwarf galaxy NGC 1705 in the 1170 to 1740 Å range at ~120 km s^-1 resolution is presented. The absorption features arising because of photospheric lines are distinctly different from the interstellar lines: the photospheric lines are weak, broad (equivalent widths >1 Å), asymmetric, and centered around the systemic LSR velocity of NGC 1705 (~610 km s^-1). The interstellar lines consist of three relatively narrow components at LSR velocities of -20, 260, and 540 km s^-1, and include absorption by neutral atoms (N i lambda1200 triplet and O i lambda1302), singly ionized atoms (Si ii lambdalambda1190, 1193, 1260, 1304, and 1526, S ii lambda1253, C ii lambda1334, C ii^* lambda1336, Fe ii lambda1608, and Al ii lambda1670), and atoms in higher ionization states (Si iii lambda1206, Si iv lambdalambda1393, 1402, and C iv lambdalambda1548, 1550). The Si iv and C iv absorption features have both interstellar and photospheric contributions. In an earlier study, Sahu & Blades identified the absorption system at -20 km s^-1 with Milky Way disk/halo gas, and the 260 km s^-1 system with a small, isolated high-velocity cloud HVC 487, which is probably associated with Magellanic Stream gas. The 540 km s^-1 absorption system is associated with a kiloparsec-scale expanding, ionized supershell centered on the super-star cluster NGC 1705-1. The analysis presented in this paper consists of (1) a list of all interstellar absorption features with greater than 3 sigma significance and their measured equivalent widths, (2) plots of the lines in the various atomic species together with the results of nonlinear least-squares fit profiles to the observed data, and (3) unpublished 21 cm maps from the Wakker & van Woerden survey showing the large-scale H i distribution in the region near the NGC 1705 sight line and HVC 487. Furthermore, weak N i lambda1200

  3. The Hubble Space Telescope Quasar Absorption Line Key Project: The Unusual Absorption-Line System in the Spectrum of PG 2302+029---Ejected or Intervening?

    NASA Astrophysics Data System (ADS)

    Jannuzi, B. T.; Hartig, G. F.; Kirhakos, S.; Sargent, W. L. W.; Turnshek, D. A.; Weymann, R. J.; Bahcall, J. N.; Bergeron, J.; Boksenberg, A.; Savage, B. D.; Schneider, D. P.; Wolfe, A. M.

    1996-10-01

    We report the discovery of a high-ionization broad absorption line system at a redshift of zabs = 0.695 in the spectrum of the zem = 1.052 radio-quiet quasar PG 2302+029. Broad absorption with FWHM from 3000 to 5000 km s-1 is detected from C IV, N V, and O VI in Hubble Space Telescope (HST) Faint Object Spectrograph spectra of the quasar. A narrow-line system (FWHM ~ 250 km s-1) at zabs = 0.7016 is resolved from the broad blend and includes absorption by Ly alpha and the C IV, N V, and O VI doublets. No absorption by low-ionization metal species (e.g., Si II and Mg II) is detected in the HST or ground-based spectra for either the broad or the narrow system. The centroids of the broad system lines are displaced by ~56,000 km s-1 to the blue of the quasar's broad emission lines. The reddest extent of the broad-line absorption is more than 50,000 km s-1 from the quasar. The properties of this system are unprecedented, whether it is an intervening or an ejected system.

  4. The Hubble Space Telescope Quasar Absorption Line Key Project: The Unusual Absorption-Line System in the Spectrum of PG 2302+029--Ejected or Intervening?

    NASA Technical Reports Server (NTRS)

    Jannuzi, B. T.; Hartig, G. F.; Kirhakos, S.; Sargent, W. L. W.; Turnshek, D. A.; Weymann, R. J.; Bahcall, J. N.; Bergeron, J.; Boksenberg, A.; Savage, B. D.; Schneider, D. P.; Wolfe, A. M.

    1996-01-01

    We report the discovery of a high-ionization broad absorption line system at a redshift of z(sub abs) = 0.695 in the spectrum of the z(sub em) = 1.052 radio-quiet quasar PG 2302+029. Broad absorption with FWHM from 3000 to 5000 km/s is detected from C iv, N v, and O vi in Hubble Space Telescope (HST) Faint Object Spectrograph spectra of the quasar. A narrow-line system (FWHM approx. 250 km/s) at z(sub abs) = 0.7016 is resolved from the broad blend and includes absorption by Ly alpha and the C iv, N v, and O vi doublets. No absorption by low-ionization metal species (e.g., Si II and Mg II) is detected in the HST or ground-based spectra for either the broad or the narrow system. The centroids of the broad system lines are displaced by approx. 56,000 km/s to the blue of the quasar's broad emission lines. The reddest extent of the broad-line absorption is more than 50,000 km/s from the quasar. The properties of this system are unprecedented, whether it is an intervening or an ejected system.

  5. The Q(y) absorption spectrum of the light-harvesting complex II as determined by structure-based analysis of chlorophyll macrocycle deformations.

    PubMed

    Zucchelli, Giuseppe; Santabarbara, Stefano; Jennings, Robert C

    2012-04-03

    The absorption spectrum of the main antenna complex of photosystem II, LHCII, has been modeled using, as starting points, the chlorophyll (chl) atomic coordinates as obtained by the LHCII crystal analysis [Liu, Z., Yan, H., Wang, K., Kuang, T., Zhang, J., Gui, L., An, X., and Chang, W. (2004) Nature 428, 287-292] of three different trimers. The chl site Q(y) transition energies have been obtained in terms of the chl macrocycle deformations influencing the energy level of the chl frontier orbitals. Using these chl site transition energy values and the entire set of interaction energies, calculated in the ideal dipole approximation, the complete Hamiltonians for the three LHCII trimers have been written and the full set of 42 eigenstates of each LHCII trimer have been calculated. With the 42 transition energies and transition dipole strengths, either unperturbed or associated to the eigenstates, the LHCII Q(y) absorption spectrum has been calculated using a chl absorption band shape. These calculations have been performed both in vacuo and in the presence of a medium. Despite the number of approximations, a good correlation with the measured absorption spectrum of a LHCII preparation is obtained. This analysis shows that, although a substantial C3 symmetry of the LHCII trimer in terms of both chl-chl distances and interaction energies is present, a marked variation among monomer subsets of site transition energies is estimated. This leads to a C3 symmetry breaking in the unperturbed chl site transition energies set and, consequently, in the trimer eigenstates. It is also concluded that interactions among chlorophylls do not significantly modify the light absorption role of LHCII in plant leaves.

  6. Spectrum of excess partial molar absorptivity. Part II: a near infrared spectroscopic study of aqueous Na-halides.

    PubMed

    Sebe, Fumie; Nishikawa, Keiko; Koga, Yoshikata

    2012-04-07

    Our earlier thermodynamic studies suggested that F(-) and Cl(-) form hydration shells with the hydration number 14 ± 2 and 2.3 ± 0.6, respectively, and leave the bulk H(2)O away from hydration shells unperturbed. Br(-) and I(-), on the other hand, form hydrogen bonds directly with the momentarily existing hydrogen bond network of H(2)O, and retard the degree of entropy-volume cross fluctuation inherent in liquid H(2)O. The effect of the latter is stronger for I(-) than Br(-). Here we seek additional information about this qualitative difference between Cl(-) and (Br(-) and I(-)) pair by near infrared (NIR) spectroscopy. We analyze the ν(2) + ν(3) band of H(2)O in the range 4600-5500 cm(-1) of aqueous solutions of NaCl, NaBr and NaI, by a new approach. From observed absorbance, we calculate excess molar absorptivity, ε(E), excess over the additive contributions of solute and solvent. ε(E) thus contains information about the effect of inter-molecular interactions in the ν(2) + ν(3) spectrum. The spectrum of ε(E) shows three bands; two negative ones at 5263 and 4873 cm(-1), and the positive band at 5123 cm(-1). We then define and calculate the excess partial molar absorptivity of each salt, ε(E)(salt). From the behaviour of ε(E)(salt) we suggest that the negative band at 5263 cm(-1) represents free H(2)O without much hydrogen bonding under the influence of local electric field of ions. Furthermore, from a sudden change in the x(salt) (mole fraction of salt) dependence of ε(E)(salt), we suggest that there is an ion-pairing in x(salt) > 0.032, 0.036, and 0.04 for NaCl, NaBr and NaI respectively. The positive band of ε(E) at 5123 cm(-1) is attributed to a modestly organized hydrogen bond network of H(2)O (or liquid-likeness), and the x(salt) dependence of ε indicated a qualitative difference in the effect of Cl(-) from those of Br(-) and I(-). Namely, the values of ε(E)(salt) stay constant for Cl(-) but those for Br(-) and I(-) decrease smoothly on

  7. Explicit solvent effects on the visible absorption spectrum of a photosynthetic pigment: Chlorophyll-c 2 in methanol

    NASA Astrophysics Data System (ADS)

    Jaramillo, Paula; Coutinho, Kaline; Cabral, Benedito J. C.; Canuto, Sylvio

    2011-11-01

    The explicit solvent effects on the light absorption properties of a photosynthetic pigment are analyzed from a combined study using Monte Carlo simulation and quantum mechanical Density-Functional Theory calculations. The case considered is chlorophyll-c2 in methanol and excellent results are obtained for both position and intensities in the entire visible region. Explicit solvent molecules are essential for describing the absorption spectrum. Analysis is also made of the coordination of the Mg atom, the influence of solute-solvent hydrogen bonds, the existence and location of dark states for internal conversion mechanisms and the adequacy of the four-state model for classifying the transitions.

  8. The near-infrared (1.30-1.70 microm) absorption spectrum of methane down to 77 K.

    PubMed

    Kassi, Samir; Gao, Bo; Romanini, Daniele; Campargue, Alain

    2008-08-14

    The high resolution absorption spectrum of methane has been recorded at liquid nitrogen temperature by direct absorption spectroscopy between 1.30 and 1.70 microm (5850-7700 cm(-1)) using a newly developed cryogenic cell and a series of DFB diode lasers. The investigated spectral range includes part of the tetradecad and the full icosad regions for which only very partial theoretical analysis are available. The analysis of the low temperature spectrum will benefit from the reduction of the rotational congestion and from the narrowing by a factor of 2 of the Doppler linewidth allowing the resolution of a number of multiplets. Moreover, the energy value and rotational assignment of the angular momentum J of the lower state of a given transition can be obtained from the temperature variation of its line intensity. This procedure is illustrated in selected spectral regions by a continuous monitoring of the spectrum during the cell cool-down to 77 K, the temperature value being calculated at each instant from the measured Doppler linewidth. A short movie showing the considerable change of a spectrum during cool-down is attached as Supplementary Material. The method applied to a 30 cm(-1) section of the tetradecad spectrum around 6110 cm(-1) has allowed an unambiguous determination of the J values of part of the observed transitions.

  9. Diode-laser absorption spectroscopy of supersonic carbon cluster beams: the nu 3 spectrum of C5.

    PubMed

    Heath, J R; Cooksy, A L; Gruebele, M H; Schmuttenmaer, C A; Saykally, R J

    1989-05-05

    A new spectroscopic experiment has been developed in which rovibrational transitions of supersonically cooled carbon clusters, which were produced by laser vaporization of graphite, have been measured by direct-absorption diode-laser spectroscopy. Thirty-six sequential rovibrational lines of the nu 3 band of the C5 carbon cluster have been measured with Doppler-limited resolution. The absorption spectrum is characteristic of a linear molecule with a center of symmetry. Least-squares analysis of the spectrum indicates an effective carbon-carbon bond length of 1.283 angstroms, in good agreement with ab initio quantum chemical calculations. This work confirms the detection of C5 in IRC + 10216 reported in the accompanying paper.

  10. Controlling light absorption and photoelectric properties of coumarin-triphenylaminedye by different acceptor functional groups.

    PubMed

    Sun, Chaofan; Bai, Yanpeng; Li, Yuanzuo; Liu, Dejiang; Xu, Beibei; Wang, Qungui

    2016-11-01

    The ground state and excited state properties of three coumarin dyes, ZCJ1, ZCJ2 and ZCJ3, including ground state structures, energy levels, absorption spectra and driving forces of electron injection, were investigated via density functional theory (DFT) and time-dependent density functional theory (TD-DFT). In addition, five new molecules ZCJ3-1, ZCJ3-2, ZCJ3-3, ZCJ3-4 and ZCJ3-5 were designed through the introduction of a -CN group into molecule ZCJ3. The ground state and excited state properties of the five designed molecules were also calculated and compared with that of the original molecule, aiming to investigate the effect of different position of -CN groups on the optical and electrical properties of dye molecules. Moreover, the external electric field was taken into account. The results indicated that all three original molecules have better absorption within the visible-light range, and the molecule with a thiophene-thiophene conjugated bridge enables a red shift of the absorption spectrum. The molecule with a thiophene-benzene ring conjugated bridge enables the increase of driving force of electron injection. The energy levels, spectra and driving force of electron injection for the designed molecules are discussed in terms of studying their potential utility in dye-sensitized solar cells.

  11. [Absorption spectrum study of HeLa cells treated with vacuum and low-energy ions implantation].

    PubMed

    Zhang, Feng-Qiu; Zhao, Yuan-Li; Ge, Xiang-Hong; Liu, Wei; Zhang, Guang-Shui; Qin, Guang-Yong

    2009-08-01

    Mineral oil was selected to protect HeLa cells from water evaporation during low-energy ions implantation in the present paper. Then, HeLa cells having been treated with vacuum and low-energy N+ ions implantation were used to collect ultraviolet absorption spectrum by spectrophotometer. Analytical results indicated that HeLa cells had some characteristic absorption peaks near 202 and 260 nm, respectively. And then the study also found: (1) The spectral intensity increased with the vacuum treatment time. In addition, the effect of vacuum on cellular spectrum was greater than that of mineral oil. (2) The influence of low energy N+ ions on absorption spectrum was far more than that of vacuum. (3) The spectral intensity increased with the implantation dose. According to these results, the effect of low-energy N+ ions implantation and vacuum on tumorous cells (HeLa cells), especially on the molecular configuration and component of tumorous cells (HeLa cells) was discussed. In a word, this study provides a basis for further research on the functionary mechanism of low-energy ions implantation on biomaterial.

  12. The effect of deformation and intermolecular interaction on the absorption spectrum of 5-aminotetrazole and hydrazine: A computational molecular spectroscopy study on hydrazinium 5-aminotetrazolate

    NASA Astrophysics Data System (ADS)

    Farrokhpour, H.; Dehbozorgi, A.; Manassir, M.; Najafi Chermahini, A.

    2016-03-01

    In the present work, the UV absorption spectra of seven complexes of hydrazinium 5-aminotetrazolate (HY-5AT), in the range of 4-12 eV, were calculated in both gas and water. The UV absorption spectra of the selected HY-5AT complexes were also calculated in the absence of the intermolecular interaction between 5-aminotetrazole (5AT) and hydrazine (HY) and compared with the calculated UV absorption spectra of isolated HY and 5AT in the gas phase to see the effect of deformation on the electronic structures of the fragments. In addition, the calculated spectra of HY-5AT complexes were compared with the corresponding calculated spectra of HY-5AT complexes in the absence of the interaction between HY and 5AT to see the effect of interaction between two fragments on the absorption spectra of the complexes. Similar studies were performed on the most stable structure of HY-5AT complex in water and different trend was observed for the effect of deformation and interaction on the absorption spectrum of complex compared to the gas phase.

  13. The origin of blueshifted absorption features in the X-ray spectrum of PG 1211+143: outflow or disc

    NASA Astrophysics Data System (ADS)

    Gallo, L. C.; Fabian, A. C.

    2013-07-01

    In some radio-quiet active galactic nuclei (AGN), high-energy absorption features in the X-ray spectra have been interpreted as ultrafast outflows (UFOs) - highly ionized material (e.g. Fe XXV and Fe XXVI) ejected at mildly relativistic velocities. In some cases, these outflows can carry energy in excess of the binding energy of the host galaxy. Needless to say, these features demand our attention as they are strong signatures of AGN feedback and will influence galaxy evolution. For the same reason, alternative models need to be discussed and refuted or confirmed. Gallo and Fabian proposed that some of these features could arise from resonance absorption of the reflected spectrum in a layer of ionized material located above and corotating with the accretion disc. Therefore, the absorbing medium would be subjected to similar blurring effects as seen in the disc. A priori, the existence of such plasma above the disc is as plausible as a fast wind. In this work, we highlight the ambiguity by demonstrating that the absorption model can describe the ˜7.6 keV absorption feature (and possibly other features) in the quasar PG 1211+143, an AGN that is often described as a classic example of a UFO. In this model, the 2-10 keV spectrum would be largely reflection dominated (as opposed to power law dominated in the wind models) and the resonance absorption would be originating in a layer between about 6 and 60 gravitational radii. The studies of such features constitute a cornerstone for future X-ray observatories like Astro-H and Athena+. Should our model prove correct, or at least important in some cases, then absorption will provide another diagnostic tool with which to probe the inner accretion flow with future missions.

  14. Ultraviolet (250-550  nm) absorption spectrum of pure water.

    PubMed

    Mason, John D; Cone, Michael T; Fry, Edward S

    2016-09-01

    Data for the spectral light absorption of pure water from 250 to 550 nm have been obtained using an integrating cavity made from a newly developed diffuse reflector with a very high UV reflectivity. The data provide the first scattering-independent measurements of absorption coefficients in the spectral gap between well-established literature values for the absorption coefficients in the visible (>400  nm) and UV (<200  nm). A minimum in the absorption coefficient has been observed in the UV at 344 nm; the value is 0.000811±0.000227  m-1.

  15. [Ultraviolet absorption spectrum analysis and identification of medicinal plants of Paris].

    PubMed

    Zhang, Jin-yu; Wang, Yuan-zhong; Zhao, Yan-li; Yang, Shao-bing; Zhang, Ji; Yuan, Tian-jun; Wang, Jia-jun; Jin, Hang

    2012-08-01

    Species of Paris are important medicinal plants of China. They possess anticancer, hot alexipharmic, detumescence, acesodyne, and arrest blood and remove blood stasis effects. They are the main raw material for several Chinese patent drugs such as "Yunnan Baiyao", "Gong Xue Ning", "Re Du Qing" and "Ji De Sheng Sheyaopian". The present paper, through optimizing the chloroform, absolute ethyl alcohol and water extraction condition of Paris by orthogonal test L3(4) (16), using mean value, smoothness and second differential methods on the observed UV spectrum, to inspects the RSD of stability and repeatability of different waveband. By SIMCA and the common and variant peak ratio dual index sequence analysis method, it evaluated the quality and quantity of Paris. The results showed that at the time of 50, 40 and 50 min, chloroform, absolute ethyl alcohol and water had the highest extraction ratios. Within 20 h, the RSDs of stability were 0.06-1.88, 0.05-2.42 and 0.03-0.35; the RSDs of accuracy were 0-1.48, 0.05-0.37 and 0.09-0.44; and the RSDs of repeatability were 0-1.23, 0.04-0.30 and 0.12-0.25 respectively. The qualitative analysis revealed large differences between different Paris species and different areas. The quantitative analysis indicated that the highest common peak ratio among the Paris samples was 80.00% and the lowest variant peak ratio was 6.25%. The method evaluated Paris of different species and from different producing areas, and also quantitatively assessed the arbitrary two samples, clarified the similarity between the species and areas of Paris, which provided basis of distinguishing the real and false, identification of variety and quality evaluation for Chinese herbal medicine.

  16. Electronic absorption spectra and energy gap studies of Er3+ ions in different chlorophosphate glasses.

    PubMed

    Ratnakaram, Y C; Reddy, A Viswanadha; Chakradhar, R P Sreekanth

    2002-06-01

    Spectroscopic properties of Er3+ ions in different chlorophosphate glasses 50P2O5-30Na2HPO4-19.8RCl (R = Li, Na, K, Ca and Pb) are studied. The direct and indirect optical band gaps (Eopt) and the various spectroscopic parameters (E1, E2, E3, and zeta4f and alpha) are reported. The oscillator strengths of the transitions in the absorption spectrum are parameterized in terms of three Judd-Ofelt intensity parameters (omega2, omega4 and omega6). These intensity parameters are used to predict the transition probabilities (A), radiative lifetimes (tauR), branching ratios (beta) and integrated cross sections (sigma) for stimulated emission. Attention has been paid to the trend of the intensity parameters over hypersensitive transitions and optical band gaps. The lifetimes and branching ratios of certain transitions are compared with other glass matrices.

  17. Cavity Ringdown Absorption Spectrum of the T_1 (n,π^{*}) ← S_0 Transition of 2-CYCLOHEXEN-1-ONE

    NASA Astrophysics Data System (ADS)

    Zabronsky, Katherine L.; McAnally, Michael O.; Stupca, Daniel J.; Pillsbury, Nathan R.; Drucker, Stephen

    2013-06-01

    The cavity ringdown (CRD) absorption spectrum of 2-cyclohexen-1-one (CHO) was recorded over the range 401.5-410.5 nm in a room-temperature gas cell. The very weak band system (ɛ ≤ 0.02 dm^3 mol^{-1} {cm}^{-1}) in this region is due to the T_1(n, π*) ← S_0 electronic transition. The 0^0_0 origin band was assigned to the feature observed at {24,558.6 ± 0.3 {cm}^{-1}}. We have assigned about 25 vibronic transitions in a region extending from {-200 to +350 cm^{-1}} relative to the origin band. From these assignments we determined fundamental frequencies for several vibrational modes in the T_1 excited state. The table below compares their frequencies to corresponding values measured for CHO vapor in the S_0 electronic ground state (via far-IR spectroscopy) and the S_1(n, π*) excited state (via near-UV CRD spectroscopy). Low-frequency fundamentals (cm^{-1}) of CHO vapor Mode Description S_0 S_1(n,π^*) T_1(n,π^*) 39 ring twist 99.2 122.1 99.5 38 bend (inversion of C-5) 247 251.9 253.2 37 C=C twist 304.1 303.3 247.8 36 C=O wag 485 343.9 345.5 For ν_{39} and ν_{37}, the differences between S_1 and T_1 frequencies are noteworthy. These differences suggest that the electron delocalization associated with the π^* ← n chromophore in CHO is substantially different for singlet vs. triplet excitation. T. L. Smithson and H. Wieser, J. Chem. Phys. {73}, 2518 (1980) M. Z. M. Rishard and J. Laane, J. Molec. Struct. {976}, 56 (2010). M. Z. M. Rishard, E. A. Brown, L. K. Ausman, S. Drucker and J. Laane, J. Phys. Chem. A {112}, 38 (2008).

  18. Absorption Spectrum of the Green Fluorescent Protein Chromophore Anion In Vacuo

    NASA Astrophysics Data System (ADS)

    Nielsen, S. B.; Lapierre, A.; Andersen, J. U.; Pedersen, U. V.; Tomita, S.; Andersen, L. H.

    2001-11-01

    A sensitive photoabsorption technique for studies of gas-phase biomolecules has been used at the ELISA electrostatic heavy-ion storage ring. We show that the anion form of the chromophore of the green fluorescent protein in vacuo has an absorption maximum at 479 nm, which coincides with one of the two absorption peaks of the protein. Its absorption characteristics are therefore ascribed to intrinsic chemical properties of the chromophore. Evidently, the special β-can structure of the protein provides shielding of the chromophore from the surroundings without significantly changing the electronic structure of the chromophore through interactions with amino acid side chains.

  19. Experimental and Ab Initio Studies of the HDO Absorption Spectrum in the 13165-13500 1/cm Spectral Region

    NASA Technical Reports Server (NTRS)

    Schwenke, David; Naumenko, Olga; Bertseva, Elena; Campargue, Alain; Arnold, James O. (Technical Monitor)

    2000-01-01

    The HDO absorption spectrum has been recorded in the 13165 - 13500 cm(exp-1) spectral region by Intracavity Laser Absorption Spectroscopy. The spectrum (615 lines), dominated by the 2n2 + 3n3 and n1+3n3 bands was assigned and modeled leading to the derivation of 196 accurate energy levels of the (103) and (023) vibrational states. Finally, 150 of these levels have been reproduced by an effective Hamiltonian involving two vibrational dark states interacting with the (023) and ( 103) bright states. The rms deviation achieved by variation of 28 parameters is 0.05-1 cm, compared to an averaged experimental uncertainty of 0.007-1 cm, indicating the limit of validity of the effective Hamiltonian approach for HDO at high vibrational excitation. The predictions of previous ab initio calculations of the HDO spectrum were extensively used in the assignment process. The particular spectral region under consideration has been used to test and discuss the improvements of new ab initio calculations recently performed on the basis of the same potential energy surface but with an improved dipole moment surface. The improvements concern both the energy levels and the line intensities. In particular, the strong hybrid character of the n1+3n3 band is very well accounted for by the the new ab initio calculations.

  20. The UV-absorption spectrum of human iridal melanosomes: a new perspective on the relative absorption of eumelanin and pheomelanin and its consequences.

    PubMed

    Peles, Dana N; Simon, John D

    2012-01-01

    Photoemission electron microscopy is used to measure the absorption coefficients, εc, of intact iridal stroma melanosomes isolated from dark brown and blue-green human irides for the spectral range λ=244-310 nm. These iridal stroma melanosomes were chosen because different colored irides produce organelles of varying eumelanin:pheomelanin ratios with similar size and morphology. Similar absorption spectra are found for the two types of melanosomes. The experimental spectra measured within are compared with both the extinction coefficient spectra obtained on soluble synthetic model systems and the monomeric precursors to each pigment.

  1. Impact of differences in the solar irradiance spectrum on surface reflectance retrieval with different radiative transfer codes

    NASA Technical Reports Server (NTRS)

    Staenz, K.; Williams, D. J.; Fedosejevs, G.; Teillet, P. M.

    1995-01-01

    Surface reflectance retrieval from imaging spectrometer data as acquired with the Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) has become important for quantitative analysis. In order to calculate surface reflectance from remotely measured radiance, radiative transfer codes such as 5S and MODTRAN2 play an increasing role for removal of scattering and absorption effects of the atmosphere. Accurate knowledge of the exo-atmospheric solar irradiance (E(sub 0)) spectrum at the spectral resolution of the sensor is important for this purpose. The present study investigates the impact of differences in the solar irradiance function, as implemented in a modified version of 5S (M5S), 6S, and MODTRAN2, and as proposed by Green and Gao, on the surface reflectance retrieved from AVIRIS data. Reflectance measured in situ is used as a basis of comparison.

  2. Surface vs. atmospheric origin of 2.1-2.5 micron absorption features in the Martian spectrum

    NASA Technical Reports Server (NTRS)

    Bell, James F., III; Crisp, David

    1992-01-01

    For 20 years the origin of subtle absorption features in the spectrum of Mars near 2.3 micro-m ('K' band: 1.9-2.5 micro-m) has been debated. This spectral region contains gaseous absorption features predominantly from CO2 and CO on Mars and from telluric H2O and CO2. The authors have obtained new higher spectral resolution telescopic K band spectra of 10 surface regions using the Infrared Telescope Facility (IRTF) at Mauna Kea during 1990. The goals were to confirm the existence of broad features seen at lower spectral resolution and to determine whether these bands are caused by atmospheric gases, surface (or airborne dust) minerals, or a combination of both.

  3. Absorption Spectrum of a Ru(II)-Aquo Complex in Vacuo: Resolving Individual Charge-Transfer Transitions.

    PubMed

    Xu, Shuang; Weber, J Mathias

    2015-11-25

    Ruthenium(II) complexes are of great interest as homogeneous catalysts and as photosensitizers; however, their absorption spectra are typically very broad and offer only little insight into their electronic structure. We present the electronic spectrum of the aquo complex [(trpy)(bipy)Ru(II)-OH2](2+) measured by photodissociation spectroscopy of mass-selected ions in vacuo (bipy = 2,2'-bipyridine and trpy = 2,2':6',2″-terpyridine). In the visible and near-UV, [(trpy)(bipy)Ru(II)-OH2](2+) has several electronic bands that are not resolved in absorption spectra of this complex in solution but are partially resolved in vacuo. The experimental results are compared with results from time-dependent density functional theory calculations.

  4. A photon counting and a squeezing measurement method by the exact absorption and dispersion spectrum of Λ-type Atoms.

    PubMed

    Naeimi, Ghasem; Alipour, Samira; Khademi, Siamak

    2016-01-01

    Recently, the master equations for the interaction of two-mode photons with a three-level Λ-type atom are exactly solved for the coherence terms. In this paper the exact absorption spectrum is applied for the presentation of a non-demolition photon counting method, for a few number of coupling photons, and its benefits are discussed. The exact scheme is also applied where the coupling photons are squeezed and the photon counting method is also developed for the measurement of the squeezing parameter of the coupling photons.

  5. Measurement and theoretical characterization of electronic absorption spectrum of neutral chrysene (C18H12)and its positive ion in H3BO3 matrix.

    PubMed

    Husain, Mudassir M

    2007-09-01

    The ultraviolet and visible spectrum of chrysene and its radical cation formed by ultraviolet irradiation were measured in boric acid glass at room temperature. The theoretical electronic absorption spectrum of any polycyclic aromatic hydrocarbon (PAH) in boric acid matrix is calculated for the first time using semi empirical methods. Earlier reported theoretical results of electronic spectrum are calculated in free state and the results are compared with the spectrum of aromatic systems in glassy or other matrices. The interaction between the trapped PAHs (neutral and ions) and its environment induces strong perturbations of the energy levels which results in large shifts of the electronic transitions as compared to the ideal case of a free, isolated PAH molecule. This shifting due to perturbation has largely been ignored in earlier calculations, while comparing the calculations with the experimentally measured spectrum, in other matrices. The spectrum of singlet and doublet state of chrysene are computed in aqueous medium and also in free state to estimate the spectral shift. Several other geometric (bond length and bond angles) and spectroscopic parameters of chrysene like difference of HOMO-LUMO, ionization potential, dipole moment and polarizability are calculated using semi empirical methods, namely Austin Model 1 (AM1) and Parametric Method 3 (PM3). To get an idea about how the symmetry of chrysene molecule varies upon ionization, the mean polarizability (alpha) as well as its tensor components alpha(xx), alpha(yy) and alpha(zz) are calculated within a field of 0.005 a.u. The lasing action in neutral chrysene and in its cationic form is also discussed for the first time.

  6. UV absorption spectrum of the ClO dimer (Cl2O2) between 200 and 420 nm.

    PubMed

    Papanastasiou, Dimitrios K; Papadimitriou, Vassileios C; Fahey, David W; Burkholder, James B

    2009-12-10

    The UV photolysis of Cl(2)O(2) (dichlorine peroxide) is a key step in the catalytic destruction of polar stratospheric ozone. In this study, the gas-phase UV absorption spectrum of Cl(2)O(2) was measured using diode array spectroscopy and absolute cross sections, sigma, are reported for the wavelength range 200-420 nm. Pulsed laser photolysis of Cl(2)O at 248 nm or Cl(2)/Cl(2)O mixtures at 351 nm at low temperature (200-228 K) and high pressure (approximately 700 Torr, He) was used to produce ClO radicals and subsequently Cl(2)O(2) via the termolecular ClO self-reaction. The Cl(2)O(2) spectrum was obtained from spectra recorded following the completion of the gas-phase ClO radical chemistry. The spectral analysis used observed isosbestic points at 271, 312.9, and 408.5 nm combined with reaction stoichiometry and chlorine mass balance to determine the Cl(2)O(2) spectrum. The Cl(2)O(2) UV absorption spectrum peaks at 244.5 nm with a cross section of 7.6(-0.5)(+0.8) x 10(-18) cm(2) molecule(-1) where the quoted error limits are 2sigma and include estimated systematic errors. The Cl(2)O(2) absorption cross sections obtained for wavelengths in the range 300-420 nm are in good agreement with the Cl(2)O(2) spectrum reported previously by Burkholder et al. (J. Phys. Chem. A 1990, 94, 687) and significantly higher than the values reported by Pope et al. (J. Phys. Chem. A 2007, 111, 4322). A possible explanation for the discrepancy in the Cl(2)O(2) cross section values with the Pope et al. study is discussed. Representative, atmospheric photolysis rate coefficients are calculated and a range of uncertainty estimated based on the determination of sigma(Cl(2)O(2))(lambda) in this work. Although improvements in our fundamental understanding of the photochemistry of Cl(2)O(2) are still desired, this work indicates that major revisions in current atmospheric chemical mechanisms are not required to simulate observed polar ozone depletion.

  7. [Study on transient absorption spectrum of tungsten nanoparticle with HepG2 tumor cell].

    PubMed

    Cao, Lin; Shu, Xiao-Ning; Liang, Dong; Wang, Cong

    2014-07-01

    Significance of this study lies in tungsten nano materials can be used as a preliminary innovative medicines applied basic research. This paper investigated the inhibition of tungsten nanoparticles which effected on human hepatoma HepG2 cells by MTT. The authors use transient absorption spectroscopy (TAS) technology absorption and emission spectra characterization of charge transfer between nanoparticles and tumor cell. The authors discussed the role of the tungsten nanoparticles in the tumor early detection of the disease and its anti-tumor properties. In the HepG2 experiments system, 100-150 microg x mL(-1) is the best drug concentration of anti-tumor activity which recact violently within 6 hours and basically completed in 24 hours. The results showed that transient absorption spectroscopy can be used as tumor detection methods and characterization of charge transfer between nano-biosensors and tumor cells. Tungsten nanoparticles have potential applications as anticancer drugs.

  8. Would the solvent effect be the main cause of band shift in the theoretical absorption spectrum of large lanthanide complexes?

    NASA Astrophysics Data System (ADS)

    Freire, Ricardo O.; Rodrigues, Nailton M.; Rocha, Gerd B.; Gimenez, Iara F.; da Costa Junior, Nivan B.

    2011-06-01

    As most reactions take place in solution, the study of solvent effects on relevant molecular properties - either by experimental or theoretical methods - is crucial for the design of new processes and prediction of technological properties. In spite of this, only few works focusing the influence of the solvent nature specifically on the spectroscopic properties of lanthanide complexes can be found in the literature. The present work describes a theoretical study of the solvent effect on the prediction of the absorption spectra for lanthanide complexes, but other possible relevant factors have been also considered such as the molecular geometry and the excitation window used for interaction configuration (CI) calculations. The [Eu(ETA) 2· nH 2O] +1 complex has been chosen as an ideal candidate for this type of study due to its small number of atoms (only 49) and also because the absorption spectrum exhibits a single band. Two Monte Carlo simulations were performed, the first one considering the [Eu(ETA) 2] +1 complex in 400 water molecules, evidencing that the complex presents four coordinated water molecules. The second simulation considered the [Eu(ETA) 2·4H 2O] +1 complex in 400 ethanol molecules, in order to evaluate the solvent effect on the shift of the maximum absorption in calculated spectra, compared to the experimental one. Quantum chemical studies were also performed in order to evaluate the effect of the accuracy of calculated ground state geometry on the prediction of absorption spectra. The influence of the excitation window used for CI calculations on the spectral shift was also evaluated. No significant solvent effect was found on the prediction of the absorption spectrum for [Eu(ETA) 2·4H 2O] +1 complex. A small but significant effect of the ground state geometry on the transition energy and oscillator strength was also observed. Finally it must be emphasized that the absorption spectra of lanthanide complexes can be predicted with great accuracy

  9. Use of Microcomputers in the Undergraduate Chemistry Laboratory: An Absorption Spectrum Experiment.

    ERIC Educational Resources Information Center

    Terry, Ronald J.; And Others

    1989-01-01

    Describes a computer program designed to enable undergraduate students to apply computer skills for data acquisition and processing in experimental chemistry. An example is given that examines the absorption spectra of conjugated molecules such as carbocyanine dyes, and the free electron model is explained. (six references) (LRW)

  10. Nitryl chloride (ClNO2): UV/vis absorption spectrum between 210 and 296 K and O(3P) quantum yield at 193 and 248 nm.

    PubMed

    Ghosh, Buddhadeb; Papanastasiou, Dimitrios K; Talukdar, Ranajit K; Roberts, James M; Burkholder, James B

    2012-06-21

    Recent studies have shown that the UV/vis photolysis of nitryl chloride (ClNO2) can be a major source of reactive chlorine in the troposphere. The present work reports measurements of the ClNO2 absorption spectrum and its temperature dependence between 210 and 296 K over the wavelength range 200–475 nm using diode array spectroscopy. The room temperature spectrum obtained in this work was found to be in good agreement with the results from Ganske et al. (J. Geophys. Res. 1992, 97, 7651) over the wavelength range common to both studies (200–370 nm) but differs systematically from the currently recommended spectrum for use in atmospheric models. The present results lead to a decrease in the calculated atmospheric ClNO2 photolysis rate by 30%. Including the temperature dependence of the ClNO2 spectrum decreases the calculated atmospheric photolysis rate at lower temperatures (higher altitudes) even further. A parametrization of the wavelength and temperature dependence of the ClNO2 spectrum is presented. O(3P) quantum yields, Φ(ClNO2)(O), in the photolysis of ClNO2 at 193 and 248 nm were measured at 296 K using pulsed laser photolysis combined with atomic resonance fluorescence detection of O(3P) atoms. Φ(ClNO2)(O)(λ) was found to be 0.67 ± 0.12 and 0.15 ± 0.03 (2σ error limits, including estimated systematic errors) at 193 and 248 nm, respectively, indicating that multiple dissociation channels are active in the photolysis of ClNO2 at these wavelengths. The Φ(ClNO2)(O)(λ) values obtained in this work are discussed in light of previous ClNO2 photodissociation studies and the differences are discussed.

  11. The CO2 absorption spectrum in the 2.3 μm transparency window by high sensitivity CRDS: (II) Self-absorption continuum

    NASA Astrophysics Data System (ADS)

    Mondelain, D.; Vasilchenko, S.; Čermák, P.; Kassi, S.; Campargue, A.

    2017-01-01

    The CO2 absorption continuum near 2.3 μm is determined for a series of sub atmospheric pressures (250-750 Torr) by high sensitivity Cavity Ring Down Spectroscopy. An experimental procedure consisting in injecting successively a gas flow of CO2 and synthetic air, keeping constant the gas pressure in the CRDS cell, has been developed. This procedure insures a high stability of the spectra baseline by avoiding changes of the optical alignment due to pressure changes. The CO2 continuum was obtained as the difference between the CO2 absorption coefficient and a local lines simulation using a Voigt profile truncated at ±25 cm-1. Following the results of the preceding analysis of the CO2 rovibrational lines (Vasilchenko S et al. J Quant Spectrosc Radiat Transfer 10.1016/j.jqsrt.2016.07.002, a CO2 line list with intensities obtained by variational calculations and empirical line positions was preferred to the HITRAN line list. A quadratic pressure dependence of the absorption continuum is observed, with an average binary absorption coefficient increasing from 2 to 4×10-8 cm-1 amagat-2 between 4320 and 4380 cm-1. The obtained continuum is found in good agreement with a previous measurement using much higher densities (20 amagat) and a low resolution grating spectrograph and is consistent with values currently used in the analysis of Venus spectra.

  12. Bilirubin calculi crushing by laser irradiation at a molecular oscillating region wavelength based on infrared absorption spectrum analysis using a free-electron laser: an experimental study.

    PubMed

    Watanabe, M; Kajiwara, H; Awazu, K; Aizawa, K

    2001-01-01

    We investigated a new laser technique of crushing bilirubin calculi, our aim being to crush calculi in isolation using a minimally invasive procedure. Infrared absorption spectrum analysis of the bilirubin calculi was conducted, revealing maximum absorption spectrum at a wavelength of the C=O stretching vibration of ester binding that exists within the molecular structure of bilirubin calcium. As an experiment to crush calculi using the free-electron laser, we set the laser at the effective irradiation wavelength of ester binding, and conducted noncontact irradiation of the bilirubin calculi. The calculi began to slowly ablate until the irradiated site had been completely obliterated after 20s of irradiation. Moreover, absorption spectrum analysis of the irradiated site, from a comparison of absorption peak ratios, revealed that absorption peak intensities decreased over time at the absorption wavelength of ester binding. These findings suggest that irradiation of molecular oscillating region wavelengths peculiar to calculi based on infrared absorption spectrum analysis results in the gradual crushing of calculi in isolation by breaking down their molecular structure.

  13. A QM/MM study of the absorption spectrum of harmane in water solution and interacting with DNA: the crucial role of dynamic effects.

    PubMed

    Etienne, Thibaud; Very, Thibaut; Perpète, Eric A; Monari, Antonio; Assfeld, Xavier

    2013-05-02

    We present a time-dependent density functional theory computation of the absorption spectra of one β-carboline system: the harmane molecule in its neutral and cationic forms. The spectra are computed in aqueous solution. The interaction of cationic harmane with DNA is also studied. In particular, the use of hybrid quantum mechanics/molecular mechanics methods is discussed, together with its coupling to a molecular dynamics strategy to take into account dynamic effects of the environment and the vibrational degrees of freedom of the chromophore. Different levels of treatment of the environment are addressed starting from purely mechanical embedding to electrostatic and polarizable embedding. We show that a static description of the spectrum based on equilibrium geometry only is unable to give a correct agreement with experimental results, and dynamic effects need to be taken into account. The presence of two stable noncovalent interaction modes between harmane and DNA is also presented, as well as the associated absorption spectrum of harmane cation.

  14. Visible-band (390-940nm) monitoring of the Pluto absorption spectrum during the New Horizons encounter

    NASA Astrophysics Data System (ADS)

    Smith, Robert J.; Marchant, Jonathan M.

    2015-11-01

    Whilst Earth-based observations obviously cannot compete with New Horizons’ on-board instrumentation in most regards, the New Horizons data set is essentially a snapshot of Pluto in July 2015. The New Horizons project team therefore coordinated a broad international observing campaign to provide temporal context and to take advantage of the once-in-a-lifetime opportunity to directly link our Earth-based view of Pluto with “ground truth” provided by in situ measurements. This both adds value to existing archival data sets and forms the basis of long term, monitoring as we watch Pluto recede from the Sun over the coming years. We present visible-band (390-940nm) monitoring of the Pluto absorption spectrum over the period July - October 2015 from the Liverpool Telescope (LT). In particular we wished to understand the well-known 6-day fluctuation in the methane ice absorption spectrum which is observable from Earth in relation to the never-before-available high resolution maps of the Pluto surface. The LT is a fully robotic 2.0m optical telescope that automatically and dynamically schedules observations across 30+ observing programmes with a broad instrument suite. It is ideal for both reactive response to dynamic events (such as the fly-by) and long term, stable monitoring with timing constraints individually optimised to the science requirements of each programme. For example past studies of the observed CH4 absorption variability have yielded ambiguity of whether they were caused by real physical changes or geometric observation constraints, in large part because of the uneven time sampling imposed by traditional telescope scheduling.

  15. Absorption Spectrum of Phytoplankton Pigments Derived from Hyperspectral Remote-Sensing Reflectance

    DTIC Science & Technology

    2004-01-01

    For a data set collected around Baja California with chlorophyll-a concentration ((chl-a)) ranging from 0.16 to 11.3 mg/cubic meter, hyperspectral absorption spectra of phytoplankton pigments were independently inverted from hyperspectral remote - sensing reflectance using a newly...potential of using hyperspectral remote sensing to retrieve both chlorophyll-a and other accessory pigments. (7 figures, 47 refs.)

  16. [Determination of enthalpy change of coordinating color reaction by UV-Vis absorption spectrum method].

    PubMed

    Yang, D; An, L; Chen, L

    2001-08-01

    In this paper, a simple experimental method for the determination of enthalpy change of coordinating color reaction has been proposed and a relation formula between absorption and temperature has been deduced. Using coordinating color reaction of cobalt(II) thiocyanate in Tween-80 medium, the linear relation of this formula has been validated: r = 0.9957 and delta H = -44.7 kJ.mol-1, which is accordant with the result obtained from Van't Hoff equation.

  17. Absorption-line spectrum of GC 1556 + 335 - ejected or intervening material

    SciTech Connect

    Morris, S.L.; Weymann, R.J.; Foltz, C.B.; Turnshek, D.A.; Shectman, S.

    1986-11-01

    Two rich C IV absorption complexes in the radio-loud QSO GC 1556 + 335 are described. Column densities for seven of the redshift systems in these complexes are measured, and limits on the distances between the QSO and absorbing clouds are derived using ionization parameters estimated from matching photoionization models to the observations and a density estimated from an upper limit to the C II(asterisk) column density in the z = 1.65367 redshift system. These limits show that GC 1556 + 335 is not a typical member of the BALQSO class. Two alternative models are discussed in which the absorption complexes are caused by material either entrained into a radio jet from the QSO or contained in two clusters of galaxies along the line of sight. It is suggested that the emission associated with the complexes may be detectable, and that a study of the velocity field and geometry of such emission might be decisive in determining the mechanism responsible for the absorption. 40 references.

  18. High-resolution, vacuum-ultraviolet absorption spectrum of boron trifluoride.

    PubMed

    Hughes, Patrick P; Beasten, Amy; McComb, Jacob C; Coplan, Michael A; Al-Sheikhly, Mohamad; Thompson, Alan K; Vest, Robert E; Sprague, Matthew K; Irikura, Karl K; Clark, Charles W

    2014-11-21

    In the course of investigations of thermal neutron detection based on mixtures of (10)BF3 with other gases, knowledge was required of the photoabsorption cross sections of (10)BF3 for wavelengths between 135 and 205 nm. Large discrepancies in the values reported in existing literature led to the absolute measurements reported in this communication. The measurements were made at the SURF III Synchrotron Ultraviolet Radiation Facility at the National Institute of Standards and Technology. The measured absorption cross sections vary from 10(-20) cm(2) at 135 nm to less than 10(-21) cm(2) in the region from 165 to 205 nm. Three previously unreported absorption features with resolvable structure were found in the regions 135-145 nm, 150-165 nm, and 190-205 nm. Quantum mechanical calculations, using the TD-B3LYP/aug-cc-pVDZ variant of time-dependent density functional theory implemented in Gaussian 09, suggest that the observed absorption features arise from symmetry-changing adiabatic transitions.

  19. [Open-path online monitoring of ambient atmospheric CO2 based on laser absorption spectrum].

    PubMed

    He, Ying; Zhang, Yu-Jun; Kan, Rui-Feng; Xia, Hui; Geng, Hui; Ruan, Jun; Wang, Min; Cui, Xiao-Juan; Liu, Wen-Qing

    2009-01-01

    With the conjunction of tunable diode laser absorption spectroscopy technology (TDLAS) and the open long optical path technology, the system designing scheme of CO2 on-line monitoring based on near infrared tunable diode laser absorption spectroscopy technology was discussed in detail, and the instrument for large-range measurement was set up. By choosing the infrared absorption line of CO2 at 1.57 microm whose line strength is strong and suitable for measurement, the ambient atmospheric CO2 was measured continuously with a 30 s temporal resolution at an suburb site in the autumn of 2007. The diurnal atmospheric variations of CO2 and continuous monitoring results were presented. The results show that the variation in CO2 concentration has an obvious diurnal periodicity in suburb where the air is free of interference and contamination. The general characteristic of diurnal variation is that the concentration is low in the daytime and high at night, so it matches the photosynthesis trend. The instrument can detect gas concentration online with high resolution, high sensitivity, high precision, short response time and many other advantages, the monitoring requires no gas sampling, the calibration is easy, and the detection limit is about 4.2 x 10(-7). It has been proved that the system and measurement project are feasible, so it is an effective method for gas flux continuous online monitoring of large range in ecosystem based on TDLAS technology.

  20. Lymphatic fat absorption varies among rats administered dairy products differing in physiochemical properties.

    PubMed

    Fruekilde, Maj-Britt; Høy, Carl-Erik

    2004-05-01

    We examined in rats the intestinal absorption of fat from dairy products differing in physiochemical properties. Five dairy products (cream cheese, cream, sour cream, butter, and mixed butter) with minor differences in fatty acid composition were administered by gavage to rats, and lymphatic fat absorption was examined. Absorption was followed for 8 h after administration of 300 mg fat from the dairy products. Administration of cream and sour cream resulted in faster lymphatic fat absorption than cream cheese, butter, and mixed butter, and at 8 h the accumulated absorption of fat was significantly higher. The lymphatic absorption of fat after cream cheese administration was similar to the absorption after butter and mixed butter administration up to the 4-h time point; then it increased to a level between that of rats administered cream or sour cream and butter or mixed butter. Overall, these results demonstrated different lymphatic absorption patterns of fat from dairy products differing in physiochemical properties. Because the fatty acid composition of the dairy products differed only slightly, other factors such as viscosity, type of emulsion, particle size, and likely also protein content may have contributed to the differences in absorption.

  1. [ Spectrum of oncogene mutations is different in melanoma subtypes].

    PubMed

    Mazurenko, N N; Tsyganova, I V; Lushnikova, A A; Ponkratova, D A; Anurova, O A; Cheremushkin, E A; Mikhailova, I N; Demidov, L V

    2015-01-01

    Melanoma is the most lethal malignancy of skin, which is comprised of clinically relevant molecular subsets defined by specific "driver" mutations in BRAF, NRAS, and KIT genes. Recently, the better results in melanoma treatment were obtained with the mutation-specific inhibitors that have been developed for clinical use and target only patients with particular tumor genotypes. The aim of the study was to characterize the spectrum of "driver" mutations in melanoma subtypes from 137 patients with skin melanoma and 14 patients with mucosal melanoma. In total 151 melanoma cases, the frequency of BRAF, NRAS, KIT, PDGFRA, and KRAS mutations was 55.0, 10.6, 4.0, 0.7, and 0.7%, respectively. BRAF mutations were found in 69% of cutaneous melanoma without UV exposure and in 43% of cutaneous melanoma with chronic UV exposure (p=0.045), rarely in acral and mucosal melanomas. Most of melanomas containing BRAF mutations, V600E (92%) and V600K (6.0%) were potentially sensitive to inhibitors vemurafenib and dabrafenib. NRAS mutations were more common in cutaneous melanoma with chronic UV exposure (26.0%), in acral and mucosal melanomas; the dominant mutations being Q61R/K/L (87.5%). KIT mutations were found in cutaneous melanoma with chronic UV exposure (8.7%) and mucosal one (28.6%), but not in acral melanoma. Most of KIT mutations were identified in exon 11; these tumors being sensitive to tyrosine kinase inhibitors. This is the first monitoring of BRAF, NRAS, KIT, PDGFRA, and KRAS hotspot mutations in different subtypes of melanoma for Russian population. On the base of data obtained, one can suppose that at the molecular level melanomas are heterogeneous tumors that should be tested for "driver" mutations in the each case for evaluation of the potential sensitivity to target therapy. The obtained results were used for treatment of melanoma patients.

  2. Rotational structure in the near-infrared absorption spectrum of ozone

    NASA Technical Reports Server (NTRS)

    Anderson, Stuart M.; Hupalo, Peter; Mauersberger, Konrad

    1993-01-01

    The lowest energy members of the near-IR absorption bands of ozone possess fine structure which is probably due to the rotation of the molecule in the upper vibronic state, suggesting that this state is metastable. A preliminary analysis of the structures as rotational subbands supports a recent theoretical assignment of the near-IR vibronic features to the 3A2 - 1A1 electronic transition. A binding energy of about 0.1 eV is inferred from the breakoff in the observed structure.

  3. Low-temperature high-resolution absorption spectrum of 14NH3 in the ν1+ν3 band region (1.51 μm)

    NASA Astrophysics Data System (ADS)

    Földes, T.; Golebiowski, D.; Herman, M.; Softley, T. P.; Di Lonardo, G.; Fusina, L.

    2014-09-01

    Jet-cooled spectra of 14NH3 and 15NH3 in natural abundance were recorded using cavity ring-down (CRDS, 6584-6670 cm-1) and cavity enhanced absorption (CEAS, 6530-6700 cm-1) spectroscopy. Line broadening effects in the CRDS spectrum allowed lines with J″-values between 0 and 3 to be identified. Intensity ratios in 14NH3 between the jet-cooled CRDS and literature room-temperature data from Sung et al. (J. Quant. Spectrosc. Radiat. Transfer, 113 (2012), 1066) further assisted the line assignments. Ground state combination differences were extensively used to support the assignments, providing reliable values for J, K and inversion symmetry of the ground state vibrational levels. CEAS data helped in this respect for the lowest J lines, some of which are saturated in the CRDS spectrum. Further information on a/s doublets arose from the observed spectral structures. Thirty-two transitions of 14NH3 were assigned in this way and a limited but significant number (19) of changes in the assignments results, compared to Sung et al. or to Cacciani et al. (J. Quant. Spectrosc. Radiat. Transfer, 113 (2012), 1084). Sixteen known and 25 new low-J transitions were identified for 15NH3 in the CRDS spectrum but the much scarcer literature information did not allow for any more refined assignment. The present line position measurements improve on literature values published for 15NH3 and on some line positions for 14NH3.

  4. A Simple Analytical Approximation to an Inhomogeneously-Broadened Dispersion Spectrum. Application to Absorption-Dispersion Admixtures.

    PubMed

    Bales, Barney L

    2016-09-19

    A simple analytical approximation to an inhomogeneously-broadened dispersion signal is proposed and tested with resonance lines broadened by unresolved hyperfine structure. Spectral parameters may be rapidly and accurately extracted using a nonlinear least-squares fitting algorithm. Combining the new approximation to a dispersion signal with a well-known approximation to the absorption signal allows dispersion-absorption admixtures, a problem of growing importance, to be analyzed quickly and accurately. For pure dispersion signals, the maximum difference between the fit and the signal for unresolved lines is 1.1 % of the maximum intensity. For pure absorption, the difference is 0.33 % of the peak-to-peak intensity, and for admixtures up to 40 % dispersion (maximum intensity/peak-to-peak intensity), the difference is 0.7 %. The accuracy of the recovered spectral parameters depends on the degree of inhomogeneously-broadened and the percentage admixture, but they are generally about 1 % at most. A significant finding of the work is that the parameters pertinent to the dispersion or the absorption are insignificantly different when fitting isolated lines vs. fitting admixtures. Admixtures with added noise or an unsuspected extraneous line are investigated.

  5. Research of fiber carbon dioxide sensing system based laser absorption spectrum

    NASA Astrophysics Data System (ADS)

    Wei, Yubin; Zhang, Tingting; Li, Yanfang; Zhao, Yanjie; Wang, Chang; Liu, Tongyu

    2012-02-01

    Carbon dioxide is one of the important gas need to be detected in coal mine safety. In the mine limited ventilation environment, Concentration of carbon dioxide directly affects the health of coal miners. Carbon dioxide is also one of important signature Gas in spontaneous combustion forecasting of coal goaf area, it is important to accurately detect concentration of carbon dioxide in coal goaf area. This paper proposed a fiber carbon dioxide online sensing system based on tunable diode laser spectroscopy. The system used laser absorption spectroscopy and optical fiber sensors combined, and a near-infrared wavelength 1608nm fiber-coupled distributed feedback laser (DFB) as a light source and a 7cm length gas cell, to achieve a high sensitivity concentration detection of carbon dioxide gas. The technical specifications of sensing system can basically meet the need of mine safety.

  6. Detection of a Deep 3-μm Absorption Feature in the Spectrum of Amalthea (JV)

    NASA Astrophysics Data System (ADS)

    Takato, Naruhisa; Bus, Schelte J.; Terada, Hiroshi; Pyo, Tae-Soo; Kobayashi, Naoto

    2004-12-01

    Near-infrared spectra of Jupiter's small inner satellites Amalthea and Thebe are similar to those of D-type asteroids in the 0.8- to 2.5-micrometer wavelength range. A deep absorption feature is detected at 3 micrometers in the spectra of the trailing side of Amalthea, which is similar to that of the non-ice components of Callisto and can be attributed to hydrous minerals. These surface materials cannot be explained if the satellite formed at its present orbit by accreting from a circumjovian nebula. Amalthea and Thebe may be the remnants of Jupiter's inflowing building blocks that formed in the outer part or outside of the circumjovian nebula.

  7. Detection of a deep 3-microm absorption feature in the spectrum of Amalthea (JV).

    PubMed

    Takato, Naruhisa; Bus, Schelte J; Terada, Hiroshi; Pyo, Tae-Soo; Kobayashi, Naoto

    2004-12-24

    Near-infrared spectra of Jupiter's small inner satellites Amalthea and Thebe are similar to those of D-type asteroids in the 0.8- to 2.5-micrometer wavelength range. A deep absorption feature is detected at 3 micrometers in the spectra of the trailing side of Amalthea, which is similar to that of the non-ice components of Callisto and can be attributed to hydrous minerals. These surface materials cannot be explained if the satellite formed at its present orbit by accreting from a circumjovian nebula. Amalthea and Thebe may be the remnants of Jupiter's inflowing building blocks that formed in the outer part or outside of the circumjovian nebula.

  8. Aerosol Absorption Retrievals from the PACE Broad Spectrum Ocean Color Instrument (OCI)

    NASA Technical Reports Server (NTRS)

    Mattoo, Shana; Remer, Lorraine A.; Levy, Robert C.; Gupta, Pawan; Ahmad, Ziauddin; Martins, J. Vanderlei; Lima, Adriana Rocha; Torres, Omar

    2016-01-01

    The PACE (Pre-­Aerosol, Clouds and ocean Ecosystem) mission, anticipated for launch in the early 2020s, is designed to characterize oceanic and atmospheric properties. The primary instrument on-­-board will be a moderate resolution (approximately 1 km nadir) radiometer, called the Ocean Color Instrument (OCI). OCI will provide high spectral resolution (5 nm) from the UV to NIR (350 - 800 nm), with additional spectral bands in the NIR and SWIR. The OCI itself is an excellent instrument for atmospheric objectives, providing measurements across a broad spectral range that in essence combines the capabilities of MODIS and OMI, but with the UV channels from OMI to be available at moderate resolution. (Image credit: PACE Science Definition Team Report). Objective: Can we make use of the UV-­SWIR measurements to derive information about aerosol absorption when aerosol loading is high?

  9. A Near-Infrared Spectrometer to Measure Zodiacal Light Absorption Spectrum

    NASA Technical Reports Server (NTRS)

    Kutyrev, A. S.; Arendt, R.; Dwek, E.; Kimble, R.; Moseley, S. H.; Rapchun, D.; Silverberg, R. F.

    2010-01-01

    We have developed a high throughput infrared spectrometer for zodiacal light fraunhofer lines measurements. The instrument is based on a cryogenic dual silicon Fabry-Perot etalon which is designed to achieve high signal to noise Fraunhofer line profile measurements. Very large aperture silicon Fabry-Perot etalons and fast camera optics make these measurements possible. The results of the absorption line profile measurements will provide a model free measure of the zodiacal Light intensity in the near infrared. The knowledge of the zodiacal light brightness is crucial for accurate subtraction of zodiacal light foreground for accurate measure of the extragalactic background light after the subtraction of zodiacal light foreground. We present the final design of the instrument and the first results of its performance.

  10. A new colorimetric and far-red fluorescent probe for hydrazine with a large red-shifted absorption spectrum.

    PubMed

    Xu, Zujun; Pang, Mengmeng; Li, Changwang; Zhu, Baocun

    2016-10-18

    Recently, growing attention has been paid to the detection of hydrazine (NH2 NH2 ) because of its important roles in industrial chemical and high toxicity to human beings. Herein, we have constructed a new colorimetric and far-red fluorescent probe containing a receptor of 4-bromobutanoate to selectively detect hydrazine. The probe could detect hydrazine quantitatively in the range of 40-500 μM with the detection limit of 2.9 μM. In addition, the probe could monitor hydrazine by the ratiometric method with a large (185 nm) red-shifted absorption spectrum, and the color changes from yellow to blue make it as a 'naked-eye' indicator for hydrazine. Consequently, our proposed probe would be of great benefit for monitoring hydrazine in aqueous solution.

  11. Rutile TiO2(011)-2 × 1 Reconstructed Surfaces with Optical Absorption over the Visible Light Spectrum.

    PubMed

    Zhou, Rulong; Li, Dongdong; Qu, Bingyan; Sun, Xiaorui; Zhang, Bo; Zeng, Xiao Cheng

    2016-10-12

    The stable structures of the reconstructed rutile TiO2(011) surface are explored based on an evolutionary method. In addition to the well-known "brookite(001)-like" 2 × 1 reconstruction model, three 2 × 1 reconstruction structures are revealed for the first time, all being more stable in the high Ti-rich condition. Importantly, the predicted Ti4O4-2 × 1 surface model not only is in excellent agreement with the reconstructed metastable surface detected by Tao et al. [Nat. Chem. 3, 296 (2011)] from their STM experiment but also gives a consistent formation mechanism and electronic structures with the measured surface. The computed imaginary part of the dielectric function suggests that the newly predicted reconstructed surfaces are capable of optical absorption over the entire visible light spectrum, thereby offering high potential for photocatalytic applications.

  12. On the infrared absorption spectrum of the hydrated hydroxide (H3O2-) cluster anion

    NASA Astrophysics Data System (ADS)

    Peláez, Daniel; Meyer, Hans-Dieter

    2017-01-01

    In this work, we present an MCTDH simulation of the infrared (IR) spectrum of the H3O2- cluster anion and compare it to the Ar vibrational predissociation experimental one. In particular, we have focused on the 600-1900cm-1 energy region, which is the lowest energy region experimentally accessible. The computed bands have been assigned to the corresponding eigenstates. The latter have been obtained through Block Improved Relaxation calculations. An overall very good agreement between theory and experiment is achieved. However, certain discrepancies between the calculated IR and the experimental Ar vibrational predissociation one exist. We provide evidence that they are due to the influence of the attached Ar atom.

  13. Vibrational structure of n-π* transition of the UV absorption spectrum of acryloyl fluoride in the gas phase.

    PubMed

    Koroleva, Lidiya A; Tyulin, Vladimir I; Matveev, Vladimir K; Pentin, Yuriy A

    2014-03-25

    UV absorption spectrum of acryloyl fluoride molecule in the gas phase has been obtained in the region at 32600-35500 cm(-1) with the purpose of the investigation of the hindered internal rotation. The resolved vibrational structure of this spectrum consists of 92 absorption bands, each of which corresponds to a certain transition from the ground (S0) to excited (S1) electronic state. The assignment of all bands has been made. The values ν00trans=34831.8 cm(-1) and ν00cis=34679.2 cm(-1) have been determined. Several Deslandres Tables (DTs) have been constructed for torsional vibration of s-trans- and s-cis-isomers of investigated molecule. The origins in these DTs correspond to bands assigned to ν00 and to fundamental frequencies of each isomer in the S0 and S1 states. These DTs have been used to determine the harmonic frequencies ωe, anharmonicity coefficients x11, and frequencies of the torsional vibration transitions (0-υ) up to high values of the vibrational quantum number υ of s-trans- and s-cis-isomers in the both electronic states. The frequencies of torsional vibrations are ν1(″)=116.5cm(-1) for s-trans-isomer and ν1(″)=101.2 cm(-1) for s-cis-isomer in the S0 state. The frequencies of ones are ν1(')=170.4 cm(-1) for s-trans-isomer and ν1(')=139.7 cm(-1) for s-cis-isomer in the S1 state. The fundamental vibrational frequencies set has been found for isomers in the S0 and S1 states.

  14. The CO2 absorption spectrum in the 2.3 μm transparency window by high sensitivity CRDS: (I) Rovibrational lines

    NASA Astrophysics Data System (ADS)

    Vasilchenko, S.; Konefal, M.; Mondelain, D.; Kassi, S.; Čermák, P.; Tashkun, S. A.; Perevalov, V. I.; Campargue, A.

    2016-11-01

    The absorption of carbon dioxide is very weak near 2.3 μm which makes this transparency window of particular interest for the study of Venus' lower atmosphere. As a consequence of the weakness of the transitions located in this region, previous experimental data are very scarce and spectroscopic databases provide calculated line lists which should be tested and validated by experiment. In this work, we use the Cavity Ring Down Spectroscopy (CRDS) technique for a high sensitivity characterization of the CO2 absorption spectrum in two spectral intervals of the 2.3 μm window: 4248-4257 and 4295-4380 cm-1 which were accessed using a Distributed Feed Back (DFB) diode laser and a Vertical External Cavity Surface Emitting Laser (VECSEL) as light sources, respectively. The achieved sensitivity (noise equivalent absorption, αmin, on the order of 5×10-10 cm-1) allowed detecting numerous new transitions with intensity values down to 5×10-30 cm/molecule. The rovibrational assignments were performed by comparison with available theoretical line lists in particular those obtained at IAO Tomsk using the global effective operator approach. Hot bands of the main isotopologue and 16O12C18O bands were found to be missing in the HITRAN database while they contribute importantly to the absorption in the region. Additional CRDS spectra of a CO2 sample highly enriched in 18O were recorded in order to improve the spectroscopy of this isotopologue. As a result about 700 lines of 16O12C18O, 16O12C17O, 17O12C18O, 12C18O2 and 13C18O2 were newly measured. The status of the different databases (HITRAN, CDSD, variational calculations) in the important 2.3 μm transparency window is discussed. Possible improvements to correct evidenced deficiencies are suggested.

  15. Highly Ionized Iron Absorption Lines from Outflowing Gases in the X-ray Spectrum of NGC 1365

    NASA Technical Reports Server (NTRS)

    Risaliti, G.; Bianchi, S.; Matt, G.; Baldi, A.; Elvis, M.; Fabbiano, G.; Zezas, A.

    2006-01-01

    We present the discovery of four absorption lines in the X-ray spectrum of the Seyfert galaxy NGC 1365, at energies between 6.7 and 8.3 keV. The lines are detected with high statistical confidence (from >20 sigma for the strongest to -4 sigma for the weakest) in two XMM-Newton observations 60 ks long. We also detect the same lines, with a lower signal-to-noise ratio (but still >2 sigma for each line), in two previous shorter (-10 ks) XMM-Newton observations. The spectral analysis identifies these features as Fe XXV and Fe XXVI Kalpha and Kbeta lines, outflowing with velocities varying between -1000 and -5000 km/s among the observations. These are the highest quality detections of such lines so far. The high equivalent widths [EW (Kalpha) approximately 100 eV] and the Kalpha/Kbeta ratios imply that the lines are due to absorption of the AGN continuum by a highly ionized gas with column density NH-5?1023 cm(exp -2) at a distance of -(50-100)RS from the continuum source.

  16. Quantum dynamical effects in liquid water: A semiclassical study on the diffusion and the infrared absorption spectrum.

    PubMed

    Liu, Jian; Miller, William H; Paesani, Francesco; Zhang, Wei; Case, David A

    2009-10-28

    The important role of liquid water in many areas of science from chemistry, physics, biology, geology to climate research, etc., has motivated numerous theoretical studies of its structure and dynamics. The significance of quantum effects on the properties of water, however, has not yet been fully resolved. In this paper we focus on quantum dynamical effects in liquid water based on the linearized semiclassical initial value representation (LSC-IVR) with a quantum version of the simple point charge/flexible (q-SPC/fw) model [Paesani et al., J. Chem. Phys. 125, 184507 (2006)] for the potential energy function. The infrared (IR) absorption spectrum and the translational diffusion constants have been obtained from the corresponding thermal correlation functions, and the effects of intermolecular and intramolecular correlations have been studied. The LSC-IVR simulation results are compared with those predicted by the centroid molecular dynamics (CMD) approach. Although the LSC-IVR and CMD results agree well for the broadband for hindered motions in liquid water, the intramolecular bending and O-H stretching peaks predicted by the LSC-IVR are blueshifted from those given by CMD; reasons for this are discussed. We also suggest that the broadband in the IR spectrum corresponding to restricted translation and libration gives more information than the diffusion constant on the nature of quantum effects on translational and rotational motions and should thus receive more attention in this regard.

  17. A method to obtain the absorption coefficient spectrum of single grain coal in the aliphatic C-H stretching region using infrared transflection microspectroscopy.

    PubMed

    Tonoue, Ryota; Katsura, Makoto; Hamamoto, Mai; Bessho, Hiroki; Nakashima, Satoru

    2014-01-01

    A method was developed to obtain the absorption coefficient spectrum of a grain of coal (as small as 10(-7)) in the region of aliphatic and aromatic C-H stretching bands (2700-3200 cm(-1)) using infrared transflection microspectroscopy. In this method, the complex refractive index n - ik was determined using an optimization algorithm with the Kramers-Kronig transform so that the calculated transflection spectrum from the Fresnel equation corresponded to the measured one. The obtained absorption coefficients were compared with the bulk values determined from the potassium bromide (KBr) pellet measurement method.

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

    DOE PAGES

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

    2015-03-09

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

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

    SciTech Connect

    Sonzogni, A.; Zakari-Issoufou, A. -A.; Fallot, M.; Porta, A.; Algora, A.; Tain, J. L.; Valencia, E.; Rice, S.; Bui, V. M.; Cormon, S.; Estienne, M.; Agramunt, J.; Aysto, J.; Bowry, M.; Briz Monago, J. A.; Caballero-Folch, R.; Cano-Ott, D.; Cucoanes, A.; Eloma, V.; Estvez, E.; Farrelly, G. F.; Garcia, A.; Gelletly, W.; Gomez-Hornillos, M. B.; Gorlychev, V.; Hakala, J.; Jokinen, A.; Jordan, M. D.; Kankainen, A.; Kondev, F. G.; Martinez, T.; Mendoza, E.; Molina, F.; Moore, I.; Perez, A.; Podolyak, Zs.; Penttil, H.; Regan, P. H.; Shiba, T.; Rissanen, J.; Rubio, B.; Weber, C.

    2015-03-09

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

  20. The spectral variability of the GHZ-Peaked spectrum radio source PKS 1718-649 and a comparison of absorption models

    SciTech Connect

    Tingay, S. J.; Macquart, J.-P.; Wayth, R. B.; Trott, C. M.; Emrich, D.; Collier, J. D.; Wong, G. F.; Rees, G.; Stevens, J.; Carretti, E.; Callingham, J. R.; Gaensler, B. M.; McKinley, B.; Briggs, F.; Bernardi, G.; Bowman, J. D.; Cappallo, R. J.; Corey, B. E.; Deshpande, A. A.; Goeke, R.; and others

    2015-02-01

    Using the new wideband capabilities of the ATCA, we obtain spectra for PKS 1718-649, a well-known gigahertz-peaked spectrum radio source. The observations, between approximately 1 and 10 GHz over 3 epochs spanning approximately 21 months, reveal variability both above the spectral peak at ∼3 GHz and below the peak. The combination of the low- and high-frequency variability cannot be easily explained using a single absorption mechanism, such as free–free absorption or synchrotron self-absorption. We find that the PKS 1718-649 spectrum and its variability are best explained by variations in the free–free optical depth on our line of sight to the radio source at low frequencies (below the spectral peak) and the adiabatic expansion of the radio source itself at high frequencies (above the spectral peak). The optical depth variations are found to be plausible when X-ray continuum absorption variability seen in samples of active galactic nuclei is considered. We find that the cause of the peaked spectrum in PKS 1718-649 is most likely due to free–free absorption. In agreement with previous studies, we find that the spectrum at each epoch of observation is best fit by a free–free absorption model characterized by a power-law distribution of free–free absorbing clouds. This agreement is extended to frequencies below the 1 GHz lower limit of the ATCA by considering new observations with Parkes at 725 MHz and 199 MHz observations with the newly operational Murchison Widefield Array. These lower frequency observations argue against families of absorption models (both free–free and synchrotron self-absorption) that are based on simple homogenous structures.

  1. Optoelectronic set for measuring the absorption spectrum of the thin biological media

    NASA Astrophysics Data System (ADS)

    Gryko, Lukasz; Zajac, Andrzej; Gilewski, Marian

    2013-10-01

    In the paper the authors present the developed optoelectronic system for controlled, repetitive exposure by electromagnetic radiation of biological structures in the Low Level Laser (LED) Therapy procedures. The set allows for objective selection and control of the irradiation parameters by light from spectral range of the tissues transmission window. Measurements of optical parameters of thin biological medium - spectral absorption coefficient and the amount of absorbed energy - can be implemented in the measuring chamber during irradiation treatment. The radiation source is the broadband illuminator consists of set of selected high power LEDs. The maximum optical power of single source is from 80 mW to 800 mW. Illuminator is controlled and powered by the multi-channel prototype control system, which allows independently control a current of each emitter. This control allows shaping spectral emission characteristic of broadband source in range 600-1000 nm. Illuminator allows providing in the working area of 700 cm2 a uniform distribution of optical power density, of 10 mW/cm2 for maximum. Set ensure uniform distribution of the spectral power density of up to 40 mW/nm.

  2. Infrared-absorption spectrum of the electron bubble in liquid helium

    NASA Astrophysics Data System (ADS)

    Grimes, C. C.; Adams, G.

    1992-02-01

    The energy of the electronic transition from the ground state to the first excited state in the electron bubble in liquid helium has been measured by direct infrared absorption at pressures from zero to the solidification pressure and at temperatures from 1.3 to 4.2 K. At 1.3 K the 1s-1p splitting varies from 0.102 eV at P=0 to 0.227 eV at P=25 atm. At intermediate pressures a simple spherical-square-well model calculation fits the measured splittings within a few percent if the surface tension is taken to be independent of pressure. This model, when extended to allow for dilation and elongation of bubbles trapped on vorticity and dilation of rapidly drifting bubbles, agrees well with the observed transition energies at all pressures. The measured linewidths are larger by at least a factor of 2 than those calculated, which may indicate heating of rapidly drifting bubbles.

  3. [Measurements of IR absorption across section and spectrum simulation of lewisite].

    PubMed

    Zhang, Yuan-peng; Wang, Hai-tao; Zhang, Lin; Yang, Liu; Guo, Xiao-di; Bai, Yun; Sun, Hao

    2015-02-01

    The vapor infrared transmission spectra of varied concentration of lewisite-1 were measured by a long-path FT-IR spectrometer, and its characteristic frequencies are 814, 930, 1563 cm(-1); their infrared absorption cross section (a) were determined using Beer-Lambert law. The corresponding sigma values are 3.89 +/- 0.01, 1.43 +/- 0.06, 4.47 +/- 0.05 ( X 10(-20) cm2 x molecule(-1)). Two little teeny peaks, 1158, 1288 cm(-1) were found in the measured spectra. Density Functional Theory (DFT) was applied to calculated the infrared spectra of lewisite-1, -2, -3 on a b3lyp/6-311+g(d, p) level by Gauss09 package. The vibration modes were assigned by Gaussview5. 08. The calculated spectra and experimental spectra are in good agreement with each other in 600-1600 cm(-1) range, for the Person's r is 0.9991. The calculated spectra also showed three characteristic frequencies (293, 360, 374 cm(-1)) related to As atom. 0.977 was a scaling factor we determined for lewisite-1 through least-square error and its performance to scale lewisite-1, -2, -3 was acceptable. The results of this work are useful for monitoring environmental atmospheric concentrations of lewisite.

  4. Nonadiabatic photodynamics and UV absorption spectrum of all-trans-octatetraene.

    PubMed

    Lyskov, Igor; Köppel, Horst; Marian, Christel M

    2017-02-01

    The short-time molecular quantum dynamics of all-trans-octatetraene after electronic excitation to the first bright valence state is theoretically investigated. A semiempirical approach of a multireference configuration interaction based on density functional theory, the so called hybrid DFT/MRCI, in both its original and redesigned formulations, is used for treating the electronic part of the problem. The nuclear kinetic part is defined with the help of symmetry-adapted internal coordinates also suitable for a large amplitude displacement. By incorporating ten in-plane and two out-of-plane nuclear degrees of freedom in the underlying Hamiltonian, the results of the time evolution of the excited wave packet are discussed. We show that the population transfer between the two coupled low-lying states in all-trans-octatetraene occurs in a 100-200 fs time regime. The calculated UV absorption spectra describe the main vibronic features correctly except for the band associated with the single-bond stretching motion which lacks intensity. The possible products of the photoisomerization in terms of symmetry-adapted coordinates are also discussed.

  5. Study of C2H2 optic-fiber monitoring system on spectrum absorption

    NASA Astrophysics Data System (ADS)

    Wang, Yutian; Li, Xiao-Xin; Wang, Zhong-Dong

    2005-02-01

    We report our research on the development of optical fiber trace gas sensors for environmental applications. A novel optical fiber sensor for monitoring acetylene (C2H2) gases is described. Through studying the measure theory, we use the Beer-Lambert law to monitor the gas. And after analyzing the C2H2 spectrum, we select Distributed Feedback Laser Diode (DFB LD) as light source. Comparing many kinds" sensor detection head, the gas absorbing cell with tail fiber can have good coupling with optical fiber and improve the coupling stability. In the data processing system, signals are distilled by lock-in amplifiers and then harmonic measure technology processes that distilled faint signals. After the all, the electronic signals are transmitted into computer to process, alarm and display. We design the instrument who can remote and on-line measuring acetylene. Through theory analysis and system experiment, the design of the system is practicable, and has a better precision and some apply foreground.

  6. [Analysis of inorganic elements in hydroponic Taraxacum mongolicum grown under different spectrum combinations by ICP-AES].

    PubMed

    Chen, Xiao-li; Morewane, M B; Xue, Xu-zhang; Guo, Wen-zhong; Wang, Li-chun

    2015-02-01

    Dandelion (Taraxacum mongolicum) was hydroponically cultured in a completely enclosed plant factory, in which fluorescence and LED emitting spectra of different bands were used as the sole light source for plant growth. Effects of spectral component on the growth of dandelion were studied and the contents of ten inorganic elements such as K, P, Ca, Mg, Na, Fe, Mn, Zn, Cu and B in dandelion were analyzed by ICP-AES technology. The results showed that: (1) Under the condition of similar photosynthetic active radiation (PAR), single R or combined spectrums of FLRB were beneficial for biomass accumulation, while single B was the contrary; (2) Macroelements content ratio in Taraxacum mongolicum grown under FLwas K:Ca:P:Mg : Na=79.74:32.39:24.32:10.55:1.00, microelements content ratio was Fe:Mn:B:Zn:Cu = 9.28:9.71:3.82:2.08:1.00; (3) Red light (peak at 660 nm) could promote the absorptions of Ca, Fe, Mn, Zn, while absorption of Cu was not closely related to spectral conditions; (4) Thehighest accumulation of Ca, Na, Mn and Zn were obtained in aerial parts of Taraxacum mongolicum plants grown under pure red spectrum R, while the accumulation of the rest six elements reached the highest level under the mixed spectrum FLRB.

  7. The Near Infrared Absorption Spectrum of Water by CRDS Between 1.26-1.70 µm:Complete Empirical Line List and Continuum Absorption

    NASA Astrophysics Data System (ADS)

    Mondelain, Didier; Campargue, Alain; Kassi, Samir; Mikhailenko, Semen

    2014-06-01

    -CRDS at different temperatures (from room temperature to 340 K). Due to the weakness of the broadband absorption signal to be measured, very few measurements of the water vapor continuum are available in the NIR windows especially for temperature conditions relevant for our atmosphere. This is in particular the case for the 1.6 µm window where the very few available measurements show a large disagreement. The absorption cross-sections, Cs(ν, T), were retrieved for different selected wave numbers from a fit of the absorption coefficients measured in real time during pressure ramps, after subtraction of the contributions of the local water monomer lines and of water adsorbed on the CRDS mirrors. The values measured between 5875 and 6665 cm-1 range between 1.5·10-25 and 2·10-24 cm2 molec-1 atm-1 with a minimum around 6300 cm-1. Overall, our measurements are found in strong disagreement with recent FTS measurements and in a good agreement with the values predicted by the MT CKD2.5 model, except for the temperature dependence in the center of the window which is found significantly smaller than predicted.

  8. Spectral reflectance characteristics of different snow and snow-covered land surface objects and mixed spectrum fitting

    USGS Publications Warehouse

    Zhang, J.-H.; Zhou, Z.-M.; Wang, P.-J.; Yao, F.-M.; Yang, L.

    2011-01-01

    The field spectroradiometer was used to measure spectra of different snow and snow-covered land surface objects in Beijing area. The result showed that for a pure snow spectrum, the snow reflectance peaks appeared from visible to 800 nm band locations; there was an obvious absorption valley of snow spectrum near 1030 nm wavelength. Compared with fresh snow, the reflection peaks of the old snow and melting snow showed different degrees of decline in the ranges of 300~1300, 1700~1800 and 2200~2300 nm, the lowest was from the compacted snow and frozen ice. For the vegetation and snow mixed spectral characteristics, it was indicated that the spectral reflectance increased for the snow-covered land types(including pine leaf with snow and pine leaf on snow background), due to the influence of snow background in the range of 350~1300 nm. However, the spectrum reflectance of mixed pixel remained a vegetation spectral characteristic. In the end, based on the spectrum analysis of snow, vegetation, and mixed snow/vegetation pixels, the mixed spectral fitting equations were established, and the results showed that there was good correlation between spectral curves by simulation fitting and observed ones(correlation coefficient R2=0.9509).

  9. New narrow infrared absorption features in the spectrum of Io between 3600 and 3100 cm (2.8-3.2 micrometers)

    NASA Technical Reports Server (NTRS)

    Sandford, Scott A.; Geballe, Thomas R.; Salama, Farid; Goorvitch, David

    1994-01-01

    We report the discovery of a series of infrared absorption bands between 3600 and 3100/cm (2.8-3.2 micrometers) in the spectrum of Io. Individual narrow bands are detected at 3553, 3514.5, 3438, 3423, 3411.5, and 3401/cm (2.815, 2.845, 2.909, 2.921, 2.931, and 2.940 micrometers, respectively). The positions and relative strengths of these bands, and the difference of their absolute strengths between the leading and trailing faces of Io, indicate that they are due to SO2. The band at 3438/cm (2.909 micrometers) could potentially have a contribution from an additional molecular species. The existence of these bands in the spectrum of Io indicates that a substantial fraction of the SO2 on Io must reside in transparent ices having relatively large crystal sizes. The decrease in the continuum observed at the high frequency ends of the spectra is probably due to the low frequency side of the recently detected, strong 3590/cm (2.79 micrometer) feature. This band is likely due to the combination of a moderately strong SO2 band and an additional absorption from another molecular species, perhaps H2O isolated in SO2 at low concentrations. A broad (FWHM approximately = 40-60/cm), weak band is seen near 3160/cm (3.16 micrometers) and is consistent with the presence of small quantities of H2O isolated in SO2-rich ices. There is no evidence in the spectra for the presence of H2O vapor on Io. Thus, the spectra presented here neither provide unequivocal evidence for the presence of H2O on Io nor preclude it at the low concentrations suggested by past studies.

  10. Etiologies underlying sex differences in Autism Spectrum Disorders.

    PubMed

    Schaafsma, Sara M; Pfaff, Donald W

    2014-08-01

    The male predominance of Autism Spectrum Disorders (ASD) is one of the best-known, and at the same time, one of the least understood characteristics of these disorders. In this paper we review genetic, epigenetic, hormonal, and environmental mechanisms underlying this male preponderance. Sex-specific effects of Y-linked genes (including SRY expression leading to testicular development), balanced and skewed X-inactivation, genes that escape X-inactivation, parent-of-origin allelic imprinting, and the hypothetical heterochromatin sink are reviewed. These mechanisms likely contribute to etiology, instead of being simply causative to ASD. Environments, both internal and external, also play important roles in ASD's etiology. Early exposure to androgenic hormones and early maternal immune activation comprise environmental factors affecting sex-specific susceptibility to ASD. The gene-environment interactions underlying ASD, suggested here, implicate early prenatal stress as being especially detrimental to boys with a vulnerable genotype.

  11. Effect of different drinks on the absorption of non-heme iron from composite meals.

    PubMed

    Hallberg, L; Rossander, L

    1982-04-01

    A study was made on the effect of various drinks on the absorption on non-heme iron. The drinks were taken with standard meals composed of a hamburger, string beans and mashed potatoes. In each series identical meals were served to the same subject either with water or with the drink under study, labelling the meals with two different radio-iron isotopes. A reduction in iron absorption was seen when serving tea (62 per cent) or coffee (35 per cent) with the meals. Orange juice increased the iron absorption (85 per cent). Pure alcohol and wine increased only slightly the percentage absorbed. Wine often has a high iron content, which increased significantly the amount of iron absorbed (three times). Milk and beer have no significant effect. Coca-Cola increased only slightly the absorption. The present studies clearly shows that the choice of drink drunk with a meal can markedly affect the absorption of non-heme iron.

  12. The absorption spectrum of monodeuterated methane /CH3D/ in the 6000-12000 A spectral region. [in atmospheres of outer planets

    NASA Technical Reports Server (NTRS)

    Danehy, R. G.; Lutz, B. L.; Owen, T.; Scattergood, T. W.; Goetz, W.

    1977-01-01

    Preliminary results of a laboratory study of the absorption spectrum of CH3D are presented. Three new parallel-type bands are reported at 8379 A, 9613 A, and 1.065 microns. The application of this work to the search for CH3D in the atmospheres of the outer planets is discussed.

  13. Theoretical analysis of the absorption spectra of organic dyes differing by the conjugation sequence: illusion of negative solvatochromism

    NASA Astrophysics Data System (ADS)

    Manzhos, Sergei; Segawa, Hiroshi; Yamashita, Koichi

    2012-06-01

    Absorption peak maxima of two organic dyes differing by the position of the methine unit differ by 61 nm in dioxane and 128 nm in acetonnitrile. The difference is not reproduced by TDDFT using ab initio or hybrid functionals. TDDFT errors are different between the molecules due to a different albeit small extent of charge transfer, leading to a qualitative failure of TDDFT to predict relative energetics of the dyes. The TDDFT errors in non-polar solvents (such as dioxane) could be corrected based on the approach of Peach et al. (J. Chem. Phy. 128, 044118 (2008)). Here, we focus on the effect on the absorption spectrum of a polar solvent, specifically of the different between the two molecules sign of the solvatochromic shift vs. dioxane. Using the corrrection due to Peach et al, the absolute TDDFT errors can be brought within accetable ranges of 0.2-0.3 eV with the PCM solvent model, and the blue shift vs.dioxane is reporoduced, although both dyes are predicted to exhibit positive solvatochromism. The inclusion of explicit solvent molecules forming hydrogen bonds with the dye did not appreciably change neither TDDFT energies nor the correction term. These results show the importance of a more careful assessment of computational errors in the strategy of computationaly dye design by changing the conjugation order, where they are expected to be more important than in the case of an extension of the size of conjugation, and more so when polar solvents are used.

  14. [Formation of maxima in the absorption spectrum of carotenoids in the region around 370 nm; consequences for the interpretation of certain action spectra].

    PubMed

    Hager, A

    1970-03-01

    1. Most carotenoids show a 3-peak-absorption curve in the visible spectral region in polar solutions. The addition of a definite quantity of H2O to such solutions (ethanol, methanol, aceton, isopropanol) changes the absorption curve of these pigments in a characteristic manner. A new peak appears in the uv region of the spectrum (e.g.in the case of lutein at 370 nm); simultaneously the 3-peak fine structure of the visible spectrum diminishes and completely disappears after further addition of H2O. Such changes are observed especially in the case of lutein and zeaxanthin, but also in the case of neoxanthin, violaxanthin and lycopene (of the carotenoids analyzed). During thermic excitation (45° C) the uv-peak in the carotenoid spectrum disappears and the normal 3-peak curve is restored; upon cooling the uv-peak appears again. The variation of the carotenoid spectrum and the formation of a maximum in the uv-region are possibly caused by an aggregation of the pigment molecules with participation of H2O molecules. This formation of polymers obviously leads to an alteration in the distribution of electrons in the chromophore system of the carotenoid molecule and thereby to a change of the light absorption. 2. Water-soluble carotenoid complexes isolated from spinach chloroplasts show a strong light absorption in the uv-region and a one-peak absorption curve in the visible blue. After transfer of the complex to polar solutions a characteristic 3-peak carotenoid curve appears in the blue region of the spectrum; concomitantly the maximum in the uv disappears. That means that carotenoids which are bound to membranes or particles in the intact cell may have a 4-peak absorption curve similar to that of pigments which are dissolved in the water-containing alcohols mentioned above. It is conceivable that those carotenoids which do not form uv peaks in the dissolved state are able to do so under conditions under which carotenoids are bound to membranes or particles. 3. The

  15. Atmospheric chemistry of hydrazoic acid (HN3): UV absorption spectrum, HO reaction rate, and reactions of the N3 radical.

    PubMed

    Orlando, John J; Tyndall, Geoffrey S; Betterton, Eric A; Lowry, Joe; Stegall, Steve T

    2005-03-15

    Processes related to the tropospheric lifetime and fate of hydrazoic acid, HN3, have been studied. The ultraviolet absorption spectrum of HN3 is shown to possess a maximum near 262 nm with a tail extending to at least 360 nm. The photolysis quantum yield for HN3 is shown to be approximately 1 at 351 nm. Using the measured spectrum and assuming unity quantum yield throughout the actinic region, a diurnally averaged photolysis lifetime near the earth's surface of 2-3 days is estimated. Using a relative rate method, the rate coefficient for reaction of HO with HN3 was found to be (3.9 +/-0.8) x 10(-12) cm3 molecule(-1) s(-1), substantially larger than the only previous measurement. The atmospheric HN3 lifetime with respect to HO oxidation is thus about 2-3 days, assuming a diurnally averaged [HO] of 10(6) molecule cm(-3). Reactions of N3, the product of the reaction of HO with HN3, were studied in an environmental chamber using an FTIR spectrometer for end-product analysis. The N3 radical reacts efficiently with NO, producing N2O with 100% yield. Reaction of N3 with NO2 appears to generate both NO and N2O, although the rate coefficient for this reaction is slower than that for reaction with NO. No evidence for reaction of N3 with CO was observed, in contrast to previous literature data. Reaction of N3 with O2 was found to be extremely slow, k < 6 x 10(-20) cm3 molecule(-1) s(-1), although this upper limit does not necessarily rule out its occurrence in the atmosphere. Finally, the rate coefficient for reaction of Cl with HN3 was measured using a relative rate method, k = (1.0+/-0.2) x 10(-12) cm3 molecule(-1) s(-1).

  16. The 5f2-->5f16d1 absorption spectrum of Cs2GeF6:U4+ crystals: A quantum chemical and experimental study.

    PubMed

    Ordejón, Belén; Karbowiak, Miroslaw; Seijo, Luis; Barandiarán, Zoila

    2006-08-21

    Single crystals of U(4+)-doped Cs2GeF6 with 1% U4+ concentration have been obtained by the modified Bridgman-Stockbarger method in spite of the large difference in ionic radii between Ge4+ and U4+ in octahedral coordination. Their UV absorption spectrum has been recorded at 7 K, between 190 and 350 nm; it consists of a first broad and intense band peaking at about 38,000 cm(-1) followed by a number of broad bands of lower intensity from 39,000 to 45,000 cm(-1). None of the bands observed shows appreciable fine vibronic structure, so that the energies of experimental electronic origins cannot be deduced and the assignment of the experimental spectrum using empirical methods based on crystal field theory cannot be attempted. Alternatively, the profile of the absorption spectrum has been obtained theoretically using the U-F bond lengths and totally symmetric vibrational frequencies of the ground 5f2 - 1A(1g) and 5f16d(t(2g))1 - iT(1u) excited states, their energy differences, and their corresponding electric dipole transition moments calculated using the relativistic ab initio model potential embedded cluster method. The calculations suggest that the observed bands are associated with the lowest five 5f2 - 1A(1g)-->5f16d(t(2g))1 - iT(1u) (i = 1-5) dipole allowed electronic origins and their vibrational progressions. In particular, the first broad and intense band peaking at about 38,000 cm(-1) can be safely assigned to the 0-0 and 0-1 members of the a(1g) progression of the 5f2 - 1A(1g)-->5f16d(t(2g))1 - 1T(1u) electronic origin. The electronic structure of all the states with main configurational character 5f16d(t(2g))1 has been calculated as well. The results show that the lowest crystal level of this manifold is 5f16d(t(2g))1 - 1E(u) and lies about 6200 cm(-1) above the 5f2 level closest in energy, which amounts to some 11 vibrational quanta. This large energy gap could result in low nonradiative decay and efficient UV emission, which suggest the interest of

  17. Whether the Autism Spectrum Quotient consists of two different subgroups? Cluster analysis of the Autism Spectrum Quotient in general population.

    PubMed

    Kitazoe, Noriko; Fujita, Naofumi; Izumoto, Yuji; Terada, Shin-Ichi; Hatakenaka, Yuhei

    2017-04-01

    The purpose of this study was to investigate whether the individuals in the general population with high scores on the Autism Spectrum Quotient constituted a single homogeneous group or not. A cohort of university students (n = 4901) was investigated by cluster analysis based on the original five subscales of the Autism Spectrum Quotient. Based on the results of the analysis, the students could be divided into six clusters: the first with low scores on all the five subscales, the second with high scores on only the 'attention to detail' subscale, the third and fourth with intermediate scores on all the subscales, the fifth with high scores on four of the five subscales but low scores on the 'attention to detail' subscale and the sixth with high scores on all the five subscales. The students with high total Autism Spectrum Quotient scores (n = 166) were divided into two groups: one with high scores on four subscales but low scores on the 'attention to detail' subscale and the other with high scores on all the five subscales. The results of this study suggested that individuals from the general population with high Autism Spectrum Quotient scores may consist of two qualitatively different groups.

  18. Duodenal Absorption and Tissue Utilization of Dietary Heme and Nonheme Iron Differ in Rats123

    PubMed Central

    Cao, Chang; Thomas, Carrie E.; Insogna, Karl L.; O'Brien, Kimberly O.

    2014-01-01

    Background: Dietary heme contributes to iron intake, yet regulation of heme absorption and tissue utilization of absorbed heme remains undefined. Objectives: In a rat model of iron overload, we used stable iron isotopes to examine heme- and nonheme-iron absorption in relation to liver hepcidin and to compare relative utilization of absorbed heme and nonheme iron by erythroid (RBC) and iron storage tissues (liver and spleen). Methods: Twelve male Sprague-Dawley rats were randomly assigned to groups for injections of either saline or iron dextran (16 or 48 mg Fe over 2 wk). After iron loading, rats were administered oral stable iron in the forms of 57Fe-ferrous sulfate and 58Fe-labeled hemoglobin. Expression of liver hepcidin and duodenal iron transporters and tissue stable iron enrichment was determined 10 d postdosing. Results: High iron loading increased hepatic hepcidin by 3-fold and reduced duodenal expression of divalent metal transporter 1 (DMT1) by 76%. Nonheme-iron absorption was 2.5 times higher than heme-iron absorption (P = 0.0008). Absorption of both forms of iron was inversely correlated with hepatic hepcidin expression (heme-iron absorption: r = −0.77, P = 0.003; nonheme-iron absorption: r = −0.80, P = 0.002), but hepcidin had a stronger impact on nonheme-iron absorption (P = 0.04). Significantly more 57Fe was recovered in RBCs (P = 0.02), and more 58Fe was recovered in the spleen (P = 0.01). Conclusions: Elevated hepcidin significantly decreased heme- and nonheme-iron absorption but had a greater impact on nonheme-iron absorption. Differential tissue utilization of heme vs. nonheme iron was evident between erythroid and iron storage tissues, suggesting that some heme may be exported into the circulation in a form different from that of nonheme iron. PMID:25332470

  19. Resonance Rayleigh scattering, frequency doubling scattering and absorption spectrum of the interaction for mebendazole with 12-tungstophosphoric acid and its analytical applications.

    PubMed

    Tian, Fengling; Yang, Jidong; Huang, Wei; Zhou, Shang; Yao, Gengyang

    2013-12-01

    The interaction of mebendazole (MBZ) with 12-tungstophosphoric acid (TP) has been investigated by using resonance Rayleigh scattering (RRS) and frequency doubling scattering (FDS) combining with absorption spectrum. In pH 1.0 HCl medium, MBZ reacted with TP to form 3:1 ion-association complex. As a result, not only the spectrum of absorption was changed, but also the intensities of RRS and FDS were enhanced greatly. The maximum RRS, FDS and absorption wavelengths are located at 372, 392 and 260 nm, respectively. The increments of scattering intensity (ΔI) and absorption (ΔA) are directly proportional to the concentrations of MBZ in certain ranges. The detection limits (3σ) of RRS, FDS and absorption are 0.56, 0.86 and 130.16 ng/mL, respectively. The sensitivity of RRS method is higher than FDS and absorption methods. The optimum conditions of RRS method and the influence factors were discussed in the paper, in addition, the structure of ion-association complex and the reaction mechanism were investigated. Based on the ion-association reaction and its spectral response, the rapid, simple and sensitive RRS method for the determination of MBZ has been developed.

  20. Upper limits on the 21 cm power spectrum at z = 5.9 from quasar absorption line spectroscopy

    NASA Astrophysics Data System (ADS)

    Pober, Jonathan C.; Greig, Bradley; Mesinger, Andrei

    2016-11-01

    We present upper limits on the 21 cm power spectrum at z = 5.9 calculated from the model-independent limit on the neutral fraction of the intergalactic medium of x_{H I} < 0.06 + 0.05 (1σ ) derived from dark pixel statistics of quasar absorption spectra. Using 21CMMC, a Markov chain Monte Carlo Epoch of Reionization analysis code, we explore the probability distribution of 21 cm power spectra consistent with this constraint on the neutral fraction. We present 99 per cent confidence upper limits of Δ2(k) < 10-20 mK2 over a range of k from 0.5 to 2.0 h Mpc-1, with the exact limit dependent on the sampled k mode. This limit can be used as a null test for 21 cm experiments: a detection of power at z = 5.9 in excess of this value is highly suggestive of residual foreground contamination or other systematic errors affecting the analysis.

  1. Phenotypic Differences in Individuals with Autism Spectrum Disorder Born Preterm and at Term Gestation

    ERIC Educational Resources Information Center

    Bowers, Katherine; Wink, Logan K.; Pottenger, Amy; McDougle, Christopher J.; Erickson, Craig

    2015-01-01

    The objective of the study was to characterize the phenotype of males and females with autism spectrum disorder born preterm versus those born at term. Descriptive statistical analyses identified differences between male and female autism spectrum disorder subjects born preterm compared to term for several phenotypic characteristics and…

  2. Sex Differences in Co-Occurring Conditions of Children with Autism Spectrum Disorders

    ERIC Educational Resources Information Center

    Stacy, Maria E.; Zablotsky, Benjamin; Yarger, Heather A.; Zimmerman, Andrew; Makia, Barraw; Lee, Li-Ching

    2014-01-01

    This study investigated differences in co-occurring diagnoses made in females compared to males with autism spectrum disorders in 913 children (746 males and 167 females) living in the United States with a current autism spectrum disorder diagnosis identified via caregiver-reported data from the National Survey of Children's Health 2007. The…

  3. Do early caregiver concerns differ for girls with autism spectrum disorders?

    PubMed

    Little, Lauren M; Wallisch, Anna; Salley, Brenda; Jamison, Rene

    2016-08-18

    Given that early caregiver concerns may be different for children who go on to receive a diagnosis of autism spectrum disorder versus another developmental disability, early caregiver concerns may differ for girls. Using a community-based sample of children (n = 241), we examined the extent to which gender differences may be related to caregiver concerns prior to a diagnosis of autism spectrum disorder or other developmental disability. Participants were matched on chronological age, and cognitive functioning did not differ across groups. Using caregiver concern data, results showed that boys with autism spectrum disorder showed increased social interaction concerns; overall, autism spectrum disorder-related concerns did not differentiate those with autism spectrum disorder from developmental disability. Children with developmental disability, however, showed increased general developmental concerns as compared to those with autism spectrum disorder. Young girls with autism spectrum disorder may demonstrate behaviors that are not particularly salient or concerning for parents; future research may investigate the behaviors that differentiate girls with autism spectrum disorder early in development.

  4. Sex differences in pre-diagnosis concerns for children later diagnosed with autism spectrum disorder.

    PubMed

    Hiller, Rachel M; Young, Robyn L; Weber, Nathan

    2016-01-01

    In the absence of intellectual impairment, girls are diagnosed with autism spectrum disorder significantly less and later than boys. This study explored potential reasons for why autism spectrum disorder may be more difficult to identify in girls, based on carer concerns during the pre-diagnosis period. Carers of 92 boys and 60 girls diagnosed with autism spectrum disorder from school age completed an online survey addressing concerns regarding the child's development during the pre-school years (pre-diagnosis). Significant sex differences were evident in key early concerns, as well as the strategies used to navigate pre-school social situations, and the types of restricted interests. Findings suggest, from carer perspective, that girls who went on to be diagnosed with autism spectrum disorder presented differently when compared to boys, providing insight into why the diagnosis of autism spectrum disorder may be more difficult to make with cognitively able girls.

  5. Avian species differences in the intestinal absorption of xenobiotics (PCB, dieldrin, Hg2+)

    USGS Publications Warehouse

    Serafin, J.A.

    1984-01-01

    Intestinal absorption of a polychlorinated biphenyl, dieldrin, and mercury (from HgCl2) was measured in adult Northern bobwhites, Eastern screech owls, American kestrels, black-crowned night-herons and mallards in vivo by an in situ luminal perfusion technique. bobwhites, screech owls and kestrels absorbed much more of each xenobiotic than black-crowned night-herons and mallards. Mallards absorbed less dieldrin and mercury than black-crowned night-herons. Mercury absorption by kestrels was more than twice that in screech owls and eight times that observed in mallards. Pronounced differences in xenobiotic absorption rates between bobwhites, screech owls and kestrels on the one hand, and black-crowned night-herons and mallards on the other, raise the possibility that absorptive ability may be associated with the phylogenetic classification of birds.

  6. A Giant Metrewave Radio Telescope search for associated H I 21 cm absorption in high-redshift flat-spectrum sources

    NASA Astrophysics Data System (ADS)

    Aditya, J. N. H. S.; Kanekar, Nissim; Kurapati, Sushma

    2016-02-01

    We report results from a Giant Metrewave Radio Telescope search for `associated' redshifted H I 21 cm absorption from 24 active galactic nuclei (AGNs), at 1.1 < z < 3.6, selected from the Caltech-Jodrell Bank Flat-spectrum (CJF) sample. 22 out of 23 sources with usable data showed no evidence of absorption, with typical 3σ optical depth detection limits of ≈0.01 at a velocity resolution of ≈30 km s-1. A single tentative absorption detection was obtained at z ≈ 3.530 towards TXS 0604+728. If confirmed, this would be the highest redshift at which H I 21 cm absorption has ever been detected. Including 29 CJF sources with searches for redshifted H I 21 cm absorption in the literature, mostly at z < 1, we construct a sample of 52 uniformly selected flat-spectrum sources. A Peto-Prentice two-sample test for censored data finds (at ≈3σ significance) that the strength of H I 21 cm absorption is weaker in the high-z sample than in the low-z sample; this is the first statistically significant evidence for redshift evolution in the strength of H I 21 cm absorption in a uniformly selected AGN sample. However, the two-sample test also finds that the H I 21 cm absorption strength is higher in AGNs with low ultraviolet or radio luminosities, at ≈3.4σ significance. The fact that the higher luminosity AGNs of the sample typically lie at high redshifts implies that it is currently not possible to break the degeneracy between AGN luminosity and redshift evolution as the primary cause of the low H I 21 cm opacities in high-redshift, high-luminosity AGNs.

  7. Regional differences in oxalate absorption by rat intestine: evidence for excessive absorption by the colon in steatorrhoea.

    PubMed Central

    Saunders, D R; Sillery, J; McDonald, G B

    1975-01-01

    Clinical studies suggest that steatorrhoea can be associated with excessive absorption of dietary oxalate. We examined the influence of bile salts, Ca++, and long-chain fatty acid on the absorption of oxalate and water by rat intestine in vivo. Absorption was measured under steady-state conditions during single-pass infusions. Each intestinal segment served as its own control. In jejunum, 10 mM taurocholate, the principal salt in rat bile, depressed absorption of oxalate and water. Absorption was not depressed further by Ca++ or linoleic acid. In ileum, 10 mM taurocholate did not inhibit absorption. Linoleic acid, 2 mM, depressed absorption of both oxalate and water. In colon 10 mM taurocholate decreased absorption. Net water transport was depressed further when linoleic acid was added to the infusion, but oxalate absorption was enhanced. Ca++ negated these effects of linoleic acid. It is concluded that long-chain fatty acids may enhance the absorption of oxalate from the rat colon. This observation may be relevant to understanding hyperoxaluria in patients with steatorrhoea. PMID:1158192

  8. Sex differences in co-occurring conditions of children with autism spectrum disorders.

    PubMed

    Stacy, Maria E; Zablotsky, Benjamin; Yarger, Heather A; Zimmerman, Andrew; Makia, Barraw; Lee, Li-Ching

    2014-11-01

    This study investigated differences in co-occurring diagnoses made in females compared to males with autism spectrum disorders in 913 children (746 males and 167 females) living in the United States with a current autism spectrum disorder diagnosis identified via caregiver-reported data from the National Survey of Children's Health 2007. The results indicated that overall, females had significantly fewer reported autism spectrum disorder co-occurring conditions than males. Females, compared to males, with a current autism spectrum disorder diagnosis had lower rates of past learning disorder, current mild learning disorder, and past anxiety diagnoses. Females with a current autism spectrum disorder diagnosis were more likely than males to have been diagnosed with a speech problem in the past, while males with a current autism spectrum disorder diagnosis were more likely than females to have a current diagnosis of a mild learning disability and a past diagnosis of learning disability. In addition, males with a current autism spectrum disorder diagnosis were more likely than females to have two or more co-occurring diagnoses. These findings provide insight into trends in sex differences in autism spectrum disorder co-occurring conditions.

  9. Differences in molar absorptivity of 4-NP with the reaction solution and apparatus affect ALP measurement.

    PubMed

    Huang, W F; Yang, M Q; Zeng, J; Li, L Z; Cheng, G R

    1997-11-01

    We examined the differences in molar absorptivity of 4-NP obtained using different kits for ALP measurement and different instruments. The apparent molar absorptivity of 4-NP in the same reaction solution determined by six different instruments was 15.98, 16.72, 16.06, 17.00, 16.27, 17.62 and that using four different reaction solution kits for ALP with the same instrument was 16.90, 17.38, 17.72, 16.11. We measured ALP in three serum samples with six instruments using the same kit and in twelve serum samples with the same instrument using four kits. ALP activities measured using the same molar absorptivity value differed with the instrument(p < 0.01). However, those measured using the apparent molar absorptivity value for each instrument revealed no significant differences(p > 0.05). In conclusion, we suggest that standard material should be contained in each kit for enzyme measurement and the apparent epsilon for each kit and instrument should be obtained to minimize the systematic error caused by using the same epsilon in different laboratories.

  10. Origin of absorption peaks in reflection loss spectrum in Ku- frequency band of Co-Zr substituted strontium hexaferrites prepared using sucrose precursor

    NASA Astrophysics Data System (ADS)

    Narang, Sukhleen Bindra; Pubby, Kunal; Chawla, S. K.; Kaur, Prabhjyot

    2017-03-01

    This study presents the detailed explanation of the factors, contributing towards the absorption peaks in reflection loss spectrum of hexaferrites. Cobalt-Zirconium substituted strontium hexaferrites, synthesized using sucrose precursor sol-gel technique, were analyzed in 12.4-18 GHz frequency range. The concepts of impedance matching through quarter wavelength condition, complex thickness, dielectric phase angle and attenuation constant have been used to determine the location as well as intensity of absorption peaks. This study also demonstrates the potential application of three compositions of this series with doping content (x)==0.0, 0.6 and 0.8 as an effective microwave absorbers in Ku-frequency band.

  11. HI absorption towards low luminosity radio-loud AGNs of different accretion modes and WISE colours

    NASA Astrophysics Data System (ADS)

    Chandola, Yogesh; Saikia, D. J.

    2016-08-01

    HI absorption studies of active galaxies enable us to probe their circumnuclear regions and the general interstellar medium, and study the supply of gas which may trigger the nuclear activity. We investigated the detection rate of HI absorption on the nature of radio galaxies based on their emission-line spectra, nature of the host galaxies based on the WISE colours and their radio structure, which may help understand the different accretion modes. The highest detection rate of HI absorption is found in the `late-type' galaxies with WISE infrared colours W2-W3 > 2, which is typical of gas-rich systems, along with a compact radio structure. Almost all the high-excitation radio galaxies (HERGs) in our sample have W2-W3 > 2. The HI detection rate for low-excitation radio galaxies (LERGs) with W2-W3 > 2 and compact radio structure is high (~ 71 %). This is similar to compact HERGs with W2-W3 > 2 where, although the numbers are small, all three sources are detected with HI absorption. In HERGs, compact radio structure in the nuclear or circumnuclear region could give rise to absorption by gas in the dusty torus in addition to gas in the interstellar medium. However, higher specific star formation rate (sSFR) for the LERGs with W2-W3 > 2 suggests that HI absorption may be largely due to star-forming gas in their hosts.

  12. The Spectrum of Differences between Childhood and Adulthood Celiac Disease

    PubMed Central

    Ciccocioppo, Rachele; Kruzliak, Peter; Cangemi, Giuseppina C.; Pohanka, Miroslav; Betti, Elena; Lauret, Eugenia; Rodrigo, Luis

    2015-01-01

    An old saying states that ‘’children are not little adults” and this certainly holds true for celiac disease, as there are many peculiar aspects regarding its epidemiology, diagnosis, clinical presentations, associated diseases, and response to treatment in pediatric compared to adult populations, to such an extent that it merits a description of its own. In fact, contrary to the past when it was thought that celiac disease was a disorder predominantly affecting childhood and characterized by a malabsorption syndrome, nowadays it is well recognized that it affects also adult and elderly people with an impressive variability of clinical presentation. In general, the clinical guidelines for diagnosis recommend starting with specific serologic testing in all suspected subjects, including those suffering from extraintestinal related conditions, and performing upper endoscopy with appropriate biopsy sampling of duodenal mucosa in case of positivity. The latter may be omitted in young patients showing high titers of anti-transglutaminase antibodies. The subsequent management of a celiac patient differs substantially depending on the age at diagnosis and should be based on the important consideration that this is a lifelong condition. PMID:26506381

  13. Radiatively driven winds for different power law spectra. [for explaining narrow and broad quasar absorption lines

    NASA Technical Reports Server (NTRS)

    Beltrametti, M.

    1980-01-01

    The analytic solutions for radiatively driven winds are given for the case in which the winds are driven by absorption of line and continuum radiation. The wind solutions are analytically estimated for different parameters of the central source and for different power law spectra. For flat spectra, three sonic points can exist; it is shown, however, that only one of these sonic points is physically realistic. Parameters of the central source are given which generate winds of further interest for explaining the narrow and broad absorption lines in quasars. For the quasar model presented here, winds which could give rise to the narrow absorption lines are generated by central sources with parameters which are not realistic for quasars.

  14. Local Effects in the X-ray Absorption Spectrum of CaCl2, MgCl2, and NaCl Solutions

    SciTech Connect

    Kulik, H J; Correa Tedesco, A A; Schwegler, E; Prendergast, D; Galli, G

    2010-04-12

    Both first principles molecular dynamics and theoretical X-ray absorption spectroscopy have been used to investigate the aqueous solvation of cations in 0.5 M MgCl{sub 2}, CaCl{sub 2}, and NaCl solutions. We focus here on the species-specific effects that Mg{sup 2+}, Ca{sup 2+}, and Na{sup +}, have on the X-ray absorption spectrum of the respective solutions. For the divalent cations, we find that the hydrogen bonding characteristics of the more rigid magnesium first shell water molecules differ from those in the more flexible solvation shell surrounding calcium. In particular, the first solvation shell water molecules of calcium are accessible to forming acceptor hydrogen bonds, and this results in an enhancement of a post-edge peak near 540 eV. The absence of acceptor hydrogen bonds for magnesium first shell water molecules provides an explanation for the experimental and theoretical observation of a lack of enhancement at the post-main-edge peak. For the sodium monovalent cation we find that the broad tilt angle distribution results in a broadening of post-edge features, despite populations in donor-and-acceptor configurations consistent with calcium. We also present the re-averaged spectra of the MgCl{sub 2}, CaCl{sub 2}, and NaCl solutions and show that trends apparent with increasing concentration (0.5 M, 2.0 M, 4.0 M) are consistent with experiment. Finally, we examine more closely both the effect that cation coordination number has on the hydrogen bonding network and the relative perturbation strength of the cations on lone pair oxygen orbitals.

  15. Percutaneous absorption of ketoprofen. I. In vitro release and percutaneous absorption of ketoprofen from different ointment bases.

    PubMed

    Gürol, Z; Hekimoğlu, S; Demirdamar, R; Sumnu, M

    1996-08-01

    Ketoprofen (KP) is a potent non-steroidal anti-inflammatory drug which is used for the treatment of rheumatoid arthritis. The oral administration of KP can cause gastric irritation and renal adverse effects. Topical application of the drug can bypass gastrointestinal disturbances and provide relatively consistent drug levels at the site of action. Since the efficacy of an ointment depends on the type of ointment base and the concentration of the drug, four different bases (white petrolatum, cold cream, hydrophilic ointment and Carbopol 940 gel) were used at 1, 3, 5, 7 and 10% concentrations of KP to evaluate the effect of ointment base and concentration. The general rank order of the drug release was found to be: Carbopol gel > hydrophilic ointment > cold cream > white petrolatum. There was a positive correlation between the concentration of KP and release rate for all bases except Carbopol gel. The in vivo percutaneous absorption of KP from different ointment bases at 3% concentration was studied by carrageenan-induced paw edema in mice. The rank order of the percent edema inhibition was as follows: Carbopol gel > or = hydrophilic ointment > cold cream > white petrolatum. There was a good correlation between the in vitro and in vivo results.

  16. Language differences between monolingual English and bilingual English-Spanish young children with autism spectrum disorders.

    PubMed

    Valicenti-McDermott, Maria; Tarshis, Nancy; Schouls, Melissa; Galdston, Molly; Hottinger, Kathryn; Seijo, Rosa; Shulman, Lisa; Shinnar, Shlomo

    2013-07-01

    Bilingualism is common worldwide and increasingly prevalent, but there is little information about bilingual children with autism spectrum disorder. The goal of the study was to compare expressive and receptive language skills in monolingual English and bilingual English-Spanish children with autism spectrum disorder. A review of the multidisciplinary evaluations done in toddlers who were diagnosed with autism spectrum disorder at a university-affiliated center between 2003 and 2010 was performed. Data included demographics, developmental testing, autistic characteristics, and expressive and receptive language skills, obtained from formal speech and language evaluation. A total of 80 toddlers were identified, 40 classified as bilingual English-Spanish. Compared with monolinguals, bilingual children were more likely to vocalize and utilize gestures, with no other differences in language skills. There were no differences in cognitive functioning and autistic features between the groups. In this study, bilingualism did not negatively affect language development in young children with autism spectrum disorder.

  17. The "Chocolate Experiment"--A Demonstration of Radiation Absorption by Different Colored Surfaces

    ERIC Educational Resources Information Center

    Fung, Dennis

    2015-01-01

    In the typical "cookbook" experiment comparing the radiation absorption rates of different colored surfaces, students' hands are commonly used as a measurement instrument to demonstrate that dull black and silvery surfaces are good and poor absorbers of radiation, respectively. However, college students are often skeptical about using…

  18. Claudin gene expression patterns do not associate with interspecific differences in paracellular nutrient absorption.

    PubMed

    Price, Edwin R; Rott, Katherine H; Caviedes-Vidal, Enrique; Karasov, William H

    2016-01-01

    Bats exhibit higher paracellular absorption of glucose-sized molecules than non-flying mammals, a phenomenon that may be driven by higher permeability of the intestinal tight junctions. The various claudins, occludin, and other proteins making up the tight junctions are thought to determine their permeability properties. Here we show that absorption of the paracellular probe l-arabinose is higher in a bat (Eptesicus fuscus) than in a vole (Microtus pennsylvanicus) or a hedgehog (Atelerix albiventris). Furthermore, histological measurements demonstrated that hedgehogs have many more enterocytes in their intestines, suggesting that bats cannot have higher absorption of arabinose simply by having more tight junctions. We therefore investigated the mRNA levels of several claudins and occludin, because these proteins may affect permeability of tight junctions to macronutrients. To assess the expression levels of claudins per tight junction, we normalized the mRNA levels of the claudins to the constitutively expressed tight junction protein ZO-1, and combined these with measurements previously made in a bat and a rodent to determine if there were among-species differences. Although expression ratios of several genes varied among species, there was not a consistent difference between bats and non-flyers in the expression ratio of any particular gene. Protein expression patterns may differ from mRNA expression patterns, and might better explain differences among species in arabinose absorption.

  19. Trace gas absorption spectroscopy using laser difference-frequency spectrometer for environmental application

    NASA Technical Reports Server (NTRS)

    Chen, W.; Cazier, F.; Boucher, D.; Tittel, F. K.; Davies, P. B.

    2001-01-01

    A widely tunable infrared spectrometer based on difference frequency generation (DFG) has been developed for organic trace gas detection by laser absorption spectroscopy. On-line measurements of concentration of various hydrocarbons, such as acetylene, benzene, and ethylene, were investigated using high-resolution DFG trace gas spectroscopy for highly sensitive detection.

  20. Reconstruction of the absorption spectrum of an object spot from the colour values of the corresponding pixel(s) in its digital image: the challenge of algal colours.

    PubMed

    Coltelli, Primo; Barsanti, Laura; Evangelista, Valter; Frassanito, Anna Maria; Gualtieri, Paolo

    2016-12-01

    A novel procedure for deriving the absorption spectrum of an object spot from the colour values of the corresponding pixel(s) in its image is presented. Any digital image acquired by a microscope can be used; typical applications are the analysis of cellular/subcellular metabolic processes under physiological conditions and in response to environmental stressors (e.g. heavy metals), and the measurement of chromophore composition, distribution and concentration in cells. In this paper, we challenged the procedure with images of algae, acquired by means of a CCD camera mounted onto a microscope. The many colours algae display result from the combinations of chromophores whose spectroscopic information is limited to organic solvents extracts that suffers from displacements, amplifications, and contraction/dilatation respect to spectra recorded inside the cell. Hence, preliminary processing is necessary, which consists of in vivo measurement of the absorption spectra of photosynthetic compartments of algal cells and determination of spectra of the single chromophores inside the cell. The final step of the procedure consists in the reconstruction of the absorption spectrum of the cell spot from the colour values of the corresponding pixel(s) in its digital image by minimization of a system of transcendental equations based on the absorption spectra of the chromophores under physiological conditions.

  1. Solvent effects on the absorption spectrum and first hyperpolarizability of keto-enol tautomeric forms of anil derivatives: A Monte Carlo/quantum mechanics study.

    PubMed

    Adriano Junior, L; Fonseca, T L; Castro, M A

    2016-06-21

    Theoretical results for the absorption spectrum and electric properties of the enol and keto tautomeric forms of anil derivatives in the gas-phase and in solution are presented. The electronic properties in chloroform, acetonitrile, methanol, and water were determined by carrying out sequential Monte Carlo simulations and quantum mechanics calculations based on the time dependent density functional theory and on the second-order Møller-Plesset perturbation theory method. The results illustrate the role played by electrostatic interactions in the electronic properties of anil derivatives in a liquid environment. There is a significant increase of the dipole moment in solution (20%-100%) relative to the gas-phase value. Solvent effects are mild for the absorption spectrum and linear polarizability but they can be particularly important for first hyperpolarizability. A large first hyperpolarizability contrast between the enol and keto forms is observed when absorption spectra present intense lowest-energy absorption bands. Dynamic results for the first hyperpolarizability are in qualitative agreement with the available experimental results.

  2. Elucidating differences in metal absorption efficiencies between terrestrial soft-bodied and aquatic species.

    PubMed

    Owsianiak, Mikołaj; Veltman, Karin; Hauschild, Michael Z; Hendriks, A Jan; Steinmann, Zoran J N; Huijbregts, Mark A J

    2014-10-01

    It is unknown whether metal absorption efficiencies in terrestrial soft-bodied species can be predicted with the same metal properties as for aquatic species. Here, we developed models for metal absorption efficiency from the dissolved phase for terrestrial worms and several aquatic species, based on 23 metal physicochemical properties. For the worms, the absorption efficiency was successfully related to 7 properties, and is best predicted with the ionic potential. Different properties (8 in total) were found to be statistically significant in regressions predicting metal absorption in aquatic species, with the covalent index being the best predictor. It is hypothesized that metal absorption by soft-bodied species in soil systems is influenced by the rate of metal supply to the membrane, while in aquatic systems accumulation is solely determined by metal affinity to membrane bound transport proteins. Our results imply that developing predictive terrestrial bioaccumulation and toxicity models for metals must consider metal interactions with soil solids. This may include desorption of a cation bound to soil solids through ion exchange, or metal release from soil surfaces involving breaking of metal-oxygen bonds.

  3. Lead exposure and behavioral changes: comparisons of four occupational groups with different levels of lead absorption.

    PubMed

    Valciukas, J A; Lilis, R; Singer, R; Fischbein, A; Anderson, H A; Glickman, L

    1980-01-01

    The association between lead absorption and objective psychological performance tests in five groups with different levels of lead absorption was studied in the following groups: (1) a control, non-lead-exposed group; (2) cable splicers, (3) cable manufactures, and (4) secondary lead smelter workers. The following performance tests were used: Block Design, Digit Symbol, and Embedded Figures. Age-corrected performance test scores and the average of three test scores (INDEX) were used throughout. A significant association between performance tests scores and increased lead absorption was found. Zinc protoporphyrin level was a more "powerful" (in the statistical sense) indicator of lead-induced CNS effects than blood lead levels. This study provides additional evidence that neurotoxic effects associated with occupational exposure to lead can be demonstrated by means of performance tests. It has been known and widely accepted that increased lead absorption is associated with "non-specific" subjective symptoms: tiredness, sleep disturbance, irritability, etc. Psychometric techniques (including an appropriate statistical analysis strategy) are highly sensitive for the early detection of CNS neurotoxicity, such as metal toxicity. Moreover, even in lead-exposed but asymptomatic individuals, a significant correlation (negative) between test scores and levels of lead absorption could be detected. It is concluded that workers exposed to lead at levels considered "safe" might be at risk of developing brain dysfunction with long term exposure.

  4. Studies of Water Absorption Behavior of Plant Fibers at Different Temperatures

    NASA Astrophysics Data System (ADS)

    Saikia, Dip

    2010-05-01

    Moisture absorption of natural fiber plastic composites is one major concern in their outdoor applications. The absorbed moisture has many detrimental effects on the mechanical performance of these composites. A knowledge of the moisture diffusivity, permeability, and solubility is very much essential for the application of natural fibers as an excellent reinforcement in polymers. An effort has been made to study the water absorption behavior of some natural fibers such as bowstring hemp, okra, and betel nut at different temperatures to improve the long-term performance of composites reinforced with these fibers. The gain in moisture content in the fibers due to water absorption was measured as a function of exposure time at temperatures ranging from 300 K to 340 K. The thermodynamic parameters of the sorption process, such as diffusion coefficients and corresponding activation energies, were estimated.

  5. The absorption spectrum of water vapor in the 2.2 μm transparency window: High sensitivity measurements and spectroscopic database

    NASA Astrophysics Data System (ADS)

    Campargue, A.; Mikhailenko, S. N.; Vasilchenko, S.; Reynaud, C.; Béguier, S.; Čermák, P.; Mondelain, D.; Kassi, S.; Romanini, D.

    2017-03-01

    The weak absorption spectrum of water vapor in the important 2.2 μm transparency window is investigated with very high sensitivity. Overall, about 400 absorption lines were measured by Cavity Ring Down Spectroscopy (CRDS) and Optical-Feedback-Cavity Enhanced Laser Spectroscopy (OF-CEAS) in five spectral intervals: 4248.2-4257.3, 4298.4-4302.6, 4336.8.5-4367.5, 4422.4-4441.2 and 4514.6-4533.7 cm-1. The achieved sensitivity of the recordings (noise equivalent absorption, αmin, on the order of 2×10-10 cm-1) allowed detecting transitions with intensity values down to 1×10-28 cm/molecule, more than one order of magnitude better than previous studies by Fourier Transform spectroscopy. The rovibrational assignment was performed on the basis of variational calculations and of previously determined empirical energy values. Most of the newly assigned lines correspond to transitions of the ν1, ν3 and 3ν2 bands of H217O in natural isotopic abundance. Fourteen energy levels of H217O, H218O and HD18O are newly determined. An accurate and complete spectroscopic database is constructed for natural water in the 4190-4550 cm-1 region (2.39-2.20 μm). The list includes about 4500 transitions with intensity greater than 1×10-29 cm/molecule, for the six most abundant isotopologues in natural isotopic abundance. Line positions were obtained by difference of empirical energy values determined from literature data and complemented with the present CRDS results. The list is made mostly complete by including weak transitions not yet detected, with positions calculated from empirical levels and variational intensities. The variational intensities computed by a collaboration between the University College London and the Institute of Applied Physics in Nizhny Novgorod are found to improve significantly previous results by Schwenke and Partridge. Examples of comparison of the constructed line list to CRDS spectra and to simulations based on the HITRAN2012 list illustrate the advantages

  6. TDDFT prediction of UV-vis absorption and emission spectra of tocopherols in different media.

    PubMed

    Bakhouche, Kahina; Dhaouadi, Zoubeida; Lahmar, Souad; Hammoutène, Dalila

    2015-06-01

    We use the TDDFT/PBE0/6-31+G* method to determine the electronic absorption and emission energies, in different media, of the four forms of tocopherol, which differ by the number and the position of methyl groups on the chromanol. Geometries of the ground state S0 and the first singlet excited state S1 were optimized in the gas phase, and various solvents. The solvent effect is evaluated using an implicit solvation model (IEF-PCM). Our results are compared to the experimental ones obtained for the vitamin E content in several vegetable oils. For all forms of tocopherols, the HOMO-LUMO first vertical excitation is a π-π* transition. Gas phase and non-polar solvents (benzene and toluene) give higher absorption wavelengths than polar solvents (acetone, ethanol, methanol, DMSO, and water); this can be interpreted by a coplanarity between the O-H group and the chroman, allowing a better electronic resonance of the oxygen lone pairs and the aromatic ring, and therefore giving an important absorption wavelength, whereas the polar solvents give high emission wavelengths comparatively to gas phase and non-polar solvents. Fluorescence spectra permit the determination, the separation, and the identification of the four forms of tocopherols by a large difference in emission wavelength values. Graphical Abstract Scheme from process methodological to obtain the absorption and emission spectra for tocopherols.

  7. Mechanisms of guanylin action on water and ion absorption at different regions of seawater eel intestine.

    PubMed

    Ando, Masaaki; Wong, Marty K S; Takei, Yoshio

    2014-09-15

    Guanylin (GN) inhibited water absorption and short-circuit current (Isc) in seawater eel intestine. Similar inhibition was observed after bumetanide, and the effect of bumetanide was abolished by GN or vice versa, suggesting that both act on the same target, Na(+)-K(+)-2Cl(-) cotransporter (NKCC), which is a key player for the Na(+)-K(+)-Cl(-) transport system responsible for water absorption in marine teleost intestine. However, effect of GN was always greater than that of bumetanide: 10% greater in middle intestine (MI) and 40% in posterior intestine (PI) for Isc, and 25% greater in MI and 34% in PI for water absorption. After treatment with GN, Isc decreased to zero, but 20-30% water absorption still remained. The remainder may be due to the Cl(-)/HCO3 (-) exchanger and Na(+)-Cl(-) cotransporter (NCC), since inhibitors for these transporters almost nullified the remaining water absorption. Quantitative PCR analysis revealed the presence of major proteins involved in water absorption; the NKCC2β and AQP1 genes whose expression was markedly upregulated after seawater acclimation. The SLC26A6 (anion exchanger) and NCCβ genes were also expressed in small amounts. Consistent with the inhibitors' effect, expression of NKCC2β was MI > PI, and that of NCCβ was MI < PI. The present study showed that GN not only inhibits the bumetanide-sensitive Na(+)-K(+)-Cl(-) transport system governed by NKCC2β, but also regulates unknown ion transporters different from GN-insensitive SLC26A6 and NCC. A candidate is cystic fibrosis transmembrane conductance regulator Cl(-) channel, as demonstrated in mammals, but its expression is low in eel intestine, and its role may be minor, as indicated by the small effect of its inhibitors.

  8. The HD spectrum near 2.3 μm by CRDS-VECSEL: Electric quadrupole transition and collision-induced absorption

    NASA Astrophysics Data System (ADS)

    Vasilchenko, S.; Mondelain, D.; Kassi, S.; Čermák, P.; Chomet, B.; Garnache, A.; Denet, S.; Lecocq, V.; Campargue, A.

    2016-08-01

    The HD absorption spectrum is investigated near 2.3 μm with the help of a newly developed Cavity Ring Down Spectrometer (CRDS) using a VECSEL (Vertical External Cavity Surface Emitting Laser) as light source. The HD CRDS spectra were recorded for a series of ten pressure values in the range 50-650 Torr. The sensitivity of the recordings - noise equivalent absorption of the spectra on the order of αmin ≈ 5 × 10-10 cm-1 - has allowed for the first detection of the S(3) quadrupole electric transition of the HD fundamental band, at 4359.940 cm-1. The line center determined with an uncertainty of 0.002 cm-1 agrees with the most recent theoretical calculations. The retrieved value of the line intensity (2.5 × 10-27 cm/molecule at 296 K) agrees within 12% with the ab initio values included in the HITRAN spectroscopic database. We take the opportunity of this contribution to provide an exhaustive review of seventy-three HD absorption lines previously detected up to 20,000 cm-1. From the pressure dependence of the baseline of the CRDS spectra, the binary absorption coefficient of the HD collision induced absorption band is determined to be 1.17(4) × 10-6 cm-1amagat-2 at 4360 cm-1.

  9. Parent-reported differences between school-aged girls and boys on the autism spectrum.

    PubMed

    Sutherland, Rebecca; Hodge, Antoinette; Bruck, Susan; Costley, Debra; Klieve, Helen

    2017-03-01

    More boys than girls are diagnosed with autism spectrum disorder; however, there are conflicting findings about whether they differ in their presentation. This study involved a survey of parents of school-aged children on the autism spectrum (171 parents of girls and 163 parents of boys) that was distributed via social media. The surveys provided insights regarding the characteristics of boys and girls (as perceived by parents) as well as some demographic information. There were very few differences reported regarding communication and social strengths and difficulties of boys and girls with autism. No differences were reported in the number of boys and girls on the autism spectrum with special interests or repetitive behaviours; however, significant differences were found in the types of special interests with boys and girls showing generally interests along traditional gender lines. Qualitative analysis of open comments indicated that some parents of girls on the autism spectrum described their daughter as trying to hide or mask her difficulties more but no parents of boys on the spectrum described this phenomenon.

  10. Brief Report: Phenotypic Differences and Their Relationship to Paternal Age and Gender in Autism Spectrum Disorder

    ERIC Educational Resources Information Center

    Vierck, Esther; Silverman, Jeremy M.

    2015-01-01

    Two modes of inheritance have been proposed in autism spectrum disorder, transmission though pre-existing variants and de novo mutations. Different modes may lead to different symptom expressions in affected individuals. De novo mutations become more likely with advancing paternal age suggesting that paternal age may predict phenotypic…

  11. Sex Differences in Autism Spectrum Disorder: Evidence from a Large Sample of Children and Adolescents

    ERIC Educational Resources Information Center

    Mandy, William; Chilvers, Rebecca; Chowdhury, Uttom; Salter, Gemma; Seigal, Anna; Skuse, David

    2012-01-01

    Sex differences have been found amongst toddlers and young children with autism spectrum disorder (ASD). We investigated the presence and stability of these ASD sex differences throughout childhood and adolescence. Participants (N = 325, 52 females; aged 3-18 years) consecutively received an ASD diagnosis at a clinic for assessing high-functioning…

  12. Play Complexity and Toy Engagement in Preschoolers with Autism Spectrum Disorder: Do Girls and Boys Differ?

    ERIC Educational Resources Information Center

    Harrop, Clare; Green, Jonathan; Hudry, Kristelle

    2017-01-01

    While sex differences in play have been extensively observed in typical development, only a handful of studies have explored this phenomenon in depth with children with autism spectrum disorders. This study explored sex differences in play complexity and toy engagement within caregiver-child interaction samples for preschool-aged children (2-5…

  13. Computing the Absorption and Emission Spectra of 5-Methylcytidine in Different Solvents: A Test-Case for Different Solvation Models.

    PubMed

    Martínez-Fernández, L; Pepino, A J; Segarra-Martí, J; Banyasz, A; Garavelli, M; Improta, R

    2016-09-13

    The optical spectra of 5-methylcytidine in three different solvents (tetrahydrofuran, acetonitrile, and water) is measured, showing that both the absorption and the emission maximum in water are significantly blue-shifted (0.08 eV). The absorption spectra are simulated based on CAM-B3LYP/TD-DFT calculations but including solvent effects with three different approaches: (i) a hybrid implicit/explicit full quantum mechanical approach, (ii) a mixed QM/MM static approach, and (iii) a QM/MM method exploiting the structures issuing from molecular dynamics classical simulations. Ab-initio Molecular dynamics simulations based on CAM-B3LYP functionals have also been performed. The adopted approaches all reproduce the main features of the experimental spectra, giving insights on the chemical-physical effects responsible for the solvent shifts in the spectra of 5-methylcytidine and providing the basis for discussing advantages and limitations of the adopted solvation models.

  14. Detection of significant differences between absorption spectra of neutral helium and low temperature photoionized helium plasmas

    SciTech Connect

    Bartnik, A.; Wachulak, P.; Fiedorowicz, H.; Fok, T.; Jarocki, R.; Szczurek, M.

    2013-11-15

    In this work, spectral investigations of photoionized He plasmas were performed. The photoionized plasmas were created by irradiation of helium stream, with intense pulses from laser-plasma extreme ultraviolet (EUV) source. The EUV source was based on a double-stream Xe/Ne gas-puff target irradiated with 10 ns/10 J Nd:YAG laser pulses. The most intense emission from the source spanned a relatively narrow spectral region below 20 nm, however, spectrally integrated intensity at longer wavelengths was also significant. The EUV radiation was focused onto a gas stream, injected into a vacuum chamber synchronously with the EUV pulse. The long-wavelength part of the EUV radiation was used for backlighting of the photoionized plasmas to obtain absorption spectra. Both emission and absorption spectra in the EUV range were investigated. Significant differences between absorption spectra acquired for neutral helium and low temperature photoionized plasmas were demonstrated for the first time. Strong increase of intensities and spectral widths of absorption lines, together with a red shift of the K-edge, was shown.

  15. A Combination of Chemometrics and Quantum Mechanics Methods Applied to Analysis of Femtosecond Transient Absorption Spectrum of Ortho-Nitroaniline

    PubMed Central

    Yi, Jing; Xiong, Ying; Cheng, Kemei; Li, Menglong; Chu, Genbai; Pu, Xuemei; Xu, Tao

    2016-01-01

    A combination of the advanced chemometrics method with quantum mechanics calculation was for the first time applied to explore a facile yet efficient analysis strategy to thoroughly resolve femtosecond transient absorption spectroscopy of ortho-nitroaniline (ONA), served as a model compound of important nitroaromatics and explosives. The result revealed that the ONA molecule is primarily excited to S3 excited state from the ground state and then ultrafast relaxes to S2 state. The internal conversion from S2 to S1 occurs within 0.9 ps. One intermediate state S* was identified in the intersystem crossing (ISC) process, which is different from the specific upper triplet receiver state proposed in some other nitroaromatics systems. The S1 state decays to the S* one within 6.4 ps and then intersystem crossing to the lowest triplet state within 19.6 ps. T1 was estimated to have a lifetime up to 2 ns. The relatively long S* state and very long-lived T1 one should play a vital role as precursors to various nitroaromatic and explosive photoproducts. PMID:26781083

  16. Effects of ionizable residues on the absorption spectrum and initial electron-transfer kinetics in the photosynthetic reaction center of Rhodobacter sphaeroides.

    PubMed

    Johnson, E T; Nagarajan, V; Zazubovich, V; Riley, K; Small, G J; Parson, W W

    2003-11-25

    Effects of ionizable amino acids on spectroscopic properties and electron-transfer kinetics in the photosynthetic reaction center (RC) of Rhodobacter sphaeroides are investigated by site-directed mutations designed to alter the electrostatic environment of the bacteriochlorophyll dimer that serves as the photochemical electron donor (P). Arginine residues at homologous positions in the L and M subunits (L135 and M164) are changed independently: Arg L135 is replaced by Lys, Leu, Glu, and Gln and Arg M164 by Leu and Glu. Asp L155 also is mutated to Asn, Tyr L164 to Phe, and Cys L247 to Lys and Asp. The mutations at L155, L164, and M164 have little effect on the absorption spectrum, whereas those at L135 and L247 shift the long-wavelength absorption band of P to higher energies. Fits to the ground-state absorption and hole-burned spectra indicate that the blue shift and increased width of the absorption band in the L135 mutants are due partly to changes in the distribution of energies for the zero-phonon absorption line and partly to stronger electron-phonon coupling. The initial electron-transfer kinetics are not changed significantly in most of the mutants, but the time constant increases from 3.0 +/- 0.2 in wild-type RCs to 4.7 +/- 0.2 in C(L247)D and 7.0 +/- 0.3 ps in C(L247)K. The effects of the mutations on the solvation free energies of the product of the initial electron-transfer reaction (P(+)) and the charge-transfer states that contribute to the absorption spectrum ( and ) were calculated by using a distance-dependent electrostatic screening factor. The results are qualitatively in accord with the view that electrostatic interactions of the bacteriochlorophylls with ionized residues of the protein are strongly screened and make only minor contributions to the energetics and dynamics of charge separation. However, the slowing of electron transfer in the Cys L247 mutants and the blue shift of the spectrum in some of the Arg L135 and Cys L247 mutants cannot be

  17. Alligators and Crocodiles Have High Paracellular Absorption of Nutrients, But Differ in Digestive Morphology and Physiology.

    PubMed

    Tracy, Christopher R; McWhorter, Todd J; Gienger, C M; Starck, J Matthias; Medley, Peter; Manolis, S Charlie; Webb, Grahame J W; Christian, Keith A

    2015-12-01

    Much of what is known about crocodilian nutrition and growth has come from animals propagated in captivity, but captive animals from the families Crocodilidae and Alligatoridae respond differently to similar diets. Since there are few comparative studies of crocodilian digestive physiology to help explain these differences, we investigated young Alligator mississippiensis and Crocodylus porosus in terms of (1) gross and microscopic morphology of the intestine, (2) activity of the membrane-bound digestive enzymes aminopeptidase-N, maltase, and sucrase, and (3) nutrient absorption by carrier-mediated and paracellular pathways. We also measured gut morphology of animals over a larger range of body sizes. The two species showed different allometry of length and mass of the gut, with A. mississippiensis having a steeper increase in intestinal mass with body size, and C. porosus having a steeper increase in intestinal length with body size. Both species showed similar patterns of magnification of the intestinal surface area, with decreasing magnification from the proximal to distal ends of the intestine. Although A. mississippiensis had significantly greater surface-area magnification overall, a compensating significant difference in gut length between species meant that total surface area of the intestine was not significantly different from that of C. porosus. The species differed in enzyme activities, with A. mississippiensis having significantly greater ability to digest carbohydrates relative to protein than did C. porosus. These differences in enzyme activity may help explain the differences in performance between the crocodilian families when on artificial diets. Both A. mississippiensis and C. porosus showed high absorption of 3-O methyl d-glucose (absorbed via both carrier-mediated and paracellular transport), as expected. Both species also showed surprisingly high levels of l-glucose-uptake (absorbed paracellularly), with fractional absorptions as high as those

  18. Absorption Coefficient, Molecular Composition, and Photodegradation of Different Types of Brown Carbon Aerosols

    NASA Astrophysics Data System (ADS)

    Lee, H. J.; Aiona, P. K.; Nizkorodov, S.; Laskin, J.; Laskin, A.

    2014-12-01

    Atmospheric aerosols that absorb solar radiation have a direct effect on climate. Brown carbon (BrC) represents the type of carbonaceous aerosols characterized by large absorption coefficients in the near-UV range of the spectrum. BrC can be either directly emitted into the atmosphere from combustion sources, or be formed in the atmosphere through multi-phase reactions, such as aging of secondary organic aerosols (SOA) mediated by ammonium sulfate (AS). Under the conditions of exposure to solar radiation, both primary and secondary BrC can potentially change their molecular composition and optical properties as a result of photodegradation of chromophoric compounds. This presentation will discuss the molecular level composition, the absorption and fluorescence spectra, and the mechanism of photodegradation among several representative types of BrC. The primary BrC samples include aerosol produced by smoldering wood combustion. The secondary BrC samples include AS aged products of chamber-generated SOA, products of reaction between methylglyoxal and AS, and SOA produced by the hogh-NOx photooxdiation of aromatic compounds, such as naphthalene. This presentation will also include preliminary data on the absorption and fluorescence spectra of photo-degraded bioaerosols. In all cases, absorption spectra of extracted bulk samples are measured during irradiation by a known flux of UV or visible light. The molecular level composition of the fresh and photobleached samples are characterized by high-resolution electrospray ionization mass spectrometry (HR-ESI-MS). Photobleaching of BrC is found to occur over a range of atmospherically relevant time scales. In many cases, the molecular level composition of photobleached BrC exhibits only subtle changes suggesting that the optical and fluorescence properties of BrC are controlled by a few compounds present in low quantities. The observed fluorescence from non-biological BrC indicates potential issues in using fluorescence

  19. Electromagnetic resonance modes on a two-dimensional tandem grating and its application for broadband absorption in the visible spectrum.

    PubMed

    Han, Sunwoo; Lee, Bong Jae

    2016-01-25

    In this work, we numerically investigate the electromagnetic resonances on two-dimensional tandem grating structures. The base of a tandem grating consists of an opaque Au substrate, a SiO(2) spacer, and a Au grating (concave type); that is, a well-known fishnet structure forming Au/SiO(2)/Au stack. A convex-type Au grating (i.e., topmost grating) is then attached on top of the base fishnet structure with or without additional SiO(2) spacer, resulting in two types of tandem grating structures. In order to calculate the spectral reflectance and local magnetic field distribution, the finite-difference time-domain method is employed. When the topmost Au grating is directly added onto the base fishnet structure, the surface plasmon and magnetic polariton in the base structure are branched out due to the geometric asymmetry with respect to the SiO(2) spacer. If additional SiO(2) spacer is added between the topmost Au grating and the base fishnet structure, new magnetic resonance modes appear due to coupling between two vertically aligned Au/SiO(2)/Au stacks. With the understanding of multiple electromagnetic resonance modes on the proposed tandem grating structures, we successfully design a broadband absorber made of Au and SiO(2) in the visible spectrum.

  20. X-ray absorption spectroscopic investigation of the electronic structure differences in solution and crystalline oxyhemoglobin

    PubMed Central

    Wilson, Samuel A.; Green, Evan; Mathews, Irimpan I.; Benfatto, Maurizio; Hodgson, Keith O.; Hedman, Britt; Sarangi, Ritimukta

    2013-01-01

    Hemoglobin (Hb) is the heme-containing O2 transport protein essential for life in all vertebrates. The resting high-spin (S = 2) ferrous form, deoxy-Hb, combines with triplet O2, forming diamagnetic (S = 0) oxy-Hb. Understanding this electronic structure is the key first step in understanding transition metal–O2 interaction. However, despite intense spectroscopic and theoretical studies, the electronic structure description of oxy-Hb remains elusive, with at least three different descriptions proposed by Pauling, Weiss, and McClure-Goddard, based on theory, spectroscopy, and crystallography. Here, a combination of X-ray absorption spectroscopy and extended X-ray absorption fine structure, supported by density functional theory calculations, help resolve this debate. X-ray absorption spectroscopy data on solution and crystalline oxy-Hb indicate both geometric and electronic structure differences suggesting that two of the previous descriptions are correct for the Fe–O2 center in oxy-Hb. These results support the multiconfigurational nature of the ground state developed by theoretical results. Additionally, it is shown here that small differences in hydrogen bonding and solvation effects can tune the ground state, tipping it into one of the two probable configurations. These data underscore the importance of solution spectroscopy and show that the electronic structure in the crystalline form may not always reflect the true ground-state description in solution. PMID:24062465

  1. The intervening and associated O VI absorption-line systems in the ultraviolet spectrum of H1821+643

    NASA Astrophysics Data System (ADS)

    Savage, Blair D.; Tripp, Todd M.; Lu, Limin

    1998-02-01

    GHRS and FOS ultraviolet spectra of the bright QSO H1821+643 reveal the presence of strong O VI 1031.93, 1037.62 A absorption systems at z(abs) = 0.225 and 0.297, the latter being at the redshift of the QSO itself. Ground-based galaxy redshift measurements by us and others reveal two emission-line galaxies near the redshift of the intervening system at z(abs) = 0.225, suggesting the existence of a galaxy group at this redshift. The intervening O VI absorption system is also detected in H I but is not detected in the lines of Si II, Si IV, C IV, or N V. These ionization characteristics can be explained by a low-density, extended diffuse gas distribution that is photoionized by the metagalactic UV background if the gas has a metallicity of 0.1 times solar. Such a photoionized gas may be associated with the extended halo of the luminous intervening spiral galaxy at a projected distance of 100 h kpc, or with an intragroup medium. Alternatively, the absorption may be produced in hot collisionally ionized halo gas or in a hot intragroup medium. The associated system with z(abs) = 0.297 contains narrow and broad O VI absorption. The narrow absorption, which is also detected in H I, C III, C IV, and Si IV, can be modeled as gas photoionized by H1821+643 with roughly solar abundances. This gas is probably situated close to H1821+643. The broad O VI absorption that is centered at the emission redshift of H1821+643 may represent a weak and narrow example of the broad absorption line phenomena.

  2. Theoretical investigation of the structure and electronic absorption spectrum of a complex zinc bis-[8-(3,5-difluorophenylsulfanylamino)quinolinate

    NASA Astrophysics Data System (ADS)

    Minaev, B. F.; Baryshnikov, G. V.; Korop, A. A.; Minaeva, V. A.; Kaplunov, M. G.

    2012-09-01

    Using the quantum-chemical methods of the density functional theory DFT/B3LYP/DGDZVP, of the electron density topological analysis QTAIM, and of the time-dependent density functional theory TDDFT/BMK/DGDZVP, we have studied the structure and spectral properties of the electroluminescent complex zinc bis-[8-(3,5-difluorophenylsulfanylamino)quinolinate]. Good agreement of calculation results with experimental data on the electron density topological characteristics and on the absorption spectrum in the visible and UV ranges has been obtained. Based on the analysis of orbitals and wave functions of the TDDFT/BMK/DGDZVP method, we have elucidated the nature of absorption bands of the complex under study.

  3. How Different Are Girls and Boys above and below the Diagnostic Threshold for Autism Spectrum Disorders?

    ERIC Educational Resources Information Center

    Dworzynski, Katharina; Ronald, Angelica; Bolton, Patrick; Happe, Francesca

    2012-01-01

    Objective: This study aimed to explore sex differences in autistic traits in relation to diagnosis, to elucidate factors that might differentially impact whether girls versus boys meet diagnostic criteria for autism or a related autism spectrum disorder (ASD). Method: Data from a large population-based sample of children were examined. Girls and…

  4. Psychiatric Symptoms in Children Diagnosed with an Autism Spectrum Disorder: An Examination of Gender Differences

    ERIC Educational Resources Information Center

    Worley, Julie A.; Matson, Johnny L.

    2011-01-01

    In addition to the triad of impairments experienced by children and adolescents diagnosed with Autism Spectrum Disorders (ASD), they often present with symptoms of psychiatric disorders. To date, very few studies have examined gender differences in regards to psychiatric symptoms in children and adolescents diagnosed with an ASD. Thus, the current…

  5. Sex Differences in the Timing of Identification among Children and Adults with Autism Spectrum Disorders

    ERIC Educational Resources Information Center

    Begeer, Sander; Mandell, David; Wijnker-Holmes, Bernadette; Venderbosch, Stance; Rem, Dorien; Stekelenburg, Fred; Koot, Hans M.

    2013-01-01

    To examine differences by sex in the timing of identification of individuals with autism spectrum disorders (ASD), survey data were collected in the Netherlands from 2,275 males and females with autistic disorder, Asperger's syndrome and PDD-NOS. Among participants less than 18 years of age, females with Asperger's syndrome were identified later…

  6. Behavior Problems: Differences among Intellectually Disabled Adults with Co-Morbid Autism Spectrum Disorders and Epilepsy

    ERIC Educational Resources Information Center

    Smith, Kimberly R. M.; Matson, Johnny L.

    2010-01-01

    Behavior problems such as aggression, property destruction, stereotypy, self-injurious behavior, and other disruptive behavior are commonly observed among adults with intellectual disabilities (ID), autism spectrum disorders (ASD), and epilepsy residing at state-run facilities. However, it is unknown how these populations differ on behavior…

  7. Examination of Correlates of Different Imitative Functions in Young Children with Autism Spectrum Disorders

    ERIC Educational Resources Information Center

    Ingersoll, Brooke; Meyer, Katherine

    2011-01-01

    Children with autism spectrum disorders (ASD) have difficulties with social-communication skills, including imitation, language, joint attention, and play. This study investigated whether imitation performance in two different contexts (structured-elicited vs. social-interactive) was differentially related to attention-following, social…

  8. The Rubber Hand Illusion Reveals Proprioceptive and Sensorimotor Differences in Autism Spectrum Disorders

    ERIC Educational Resources Information Center

    Paton, Bryan; Hohwy, Jakob; Enticott, Peter G.

    2012-01-01

    Autism spectrum disorder (ASD) is characterised by differences in unimodal and multimodal sensory and proprioceptive processing, with complex biases towards local over global processing. Many of these elements are implicated in versions of the rubber hand illusion (RHI), which were therefore studied in high-functioning individuals with ASD and a…

  9. Psychopathology: Differences among Adults with Intellectually Disabled, Comorbid Autism Spectrum Disorders and Epilepsy

    ERIC Educational Resources Information Center

    Smith, Kimberly R. M.; Matson, Johnny L.

    2010-01-01

    The goal of this study was to systematically examine group differences among adults with intellectual disabilities (ID), comorbid autism spectrum disorders (ASD), and epilepsy through a detailed exploration of the characteristics that these disorders present in the area of psychopathology. Previous studies indicating that individuals with ID have…

  10. Measurement of absorption spectrum of deuterium oxide (D{sub 2}O) and its application to signal enhancement in multiphoton microscopy at the 1700-nm window

    SciTech Connect

    Wang, Yuxin; Wen, Wenhui; Wang, Kai; Wang, Ke; Zhai, Peng; Qiu, Ping

    2016-01-11

    1700-nm window has been demonstrated to be a promising excitation window for deep-tissue multiphoton microscopy (MPM). Long working-distance water immersion objective lenses are typically used for deep-tissue imaging. However, absorption due to immersion water at 1700 nm is still high and leads to dramatic decrease in signals. In this paper, we demonstrate measurement of absorption spectrum of deuterium oxide (D{sub 2}O) from 1200 nm to 2600 nm, covering the three low water-absorption windows potentially applicable for deep-tissue imaging (1300 nm, 1700 nm, and 2200 nm). We apply this measured result to signal enhancement in MPM at the 1700-nm window. Compared with water immersion, D{sub 2}O immersion enhances signal levels in second-harmonic generation imaging, 3-photon fluorescence imaging, and third-harmonic generation imaging by 8.1, 24.8, and 24.7 times with 1662-nm excitation, in good agreement with theoretical calculation based on our absorption measurement. This suggests D{sub 2}O a promising immersion medium for deep-tissue imaging.

  11. The 13CH4 absorption spectrum in the Icosad range (6600-7692 cm-1) at 80 K and 296 K: Empirical line lists and temperature dependence

    NASA Astrophysics Data System (ADS)

    Campargue, A.; Béguier, S.; Zbiri, Y.; Mondelain, D.; Kassi, S.; Karlovets, E. V.; Nikitin, A. V.; Rey, M.; Starikova, E. N.; Tyuterev, Vl. G.

    2016-08-01

    The 13CH4 absorption spectrum has been recorded at 296 K and 80 K in the Icosad range between 6600 and 7700 cm-1. The achieved noise equivalent absorption of the spectra recorded by differential absorption spectroscopy (DAS) is about αmin ≈ 1.5 × 10-7 cm-1. Two empirical line lists were constructed including 17,792 and 24,139 lines at 80 K and 296 K, respectively. For comparison, the HITRAN database provides only 1040 13CH4 lines in the region determined from methane spectra with natural isotopic abundance. Empirical values of the lower state energy level, Eemp, were systematically derived from the intensity ratios of the lines measured at 80 K and 296 K. Overall 10,792 Eemp values were determined providing accurate temperature dependence for most of the 13CH4 absorption in the region (93% and 82% at 80 K and 296 K, respectively). The quality of the derived empirical values of the lower state rotational quantum number, Jemp, is illustrated by their clear propensity to be close to an integer. A good agreement is achieved between our small Jemp values, with previous accurate determinations obtained by applying the 2T method to jet and 80 K spectra. The line lists at 296 K and 80 K which are provided as Supplementary material will be used for future rovibrational assignments based on accurate variational calculations.

  12. Gas cell based on optical contacting for fundamental spectroscopy studies with initial reference absorption spectrum of H2O vapor at 1723 K and 0.0235 bar

    NASA Astrophysics Data System (ADS)

    Melin, Scott T.; Sanders, Scott T.

    2016-09-01

    A gas cell, using optically contacted sapphire windows to form a hot vapor seal, has been created for high temperature fundamental spectroscopy studies. It is designed to operate at temperatures from 280-2273 K and pressures from vacuum to 1.3 bar. Using the cell in conjunction with an external cavity diode laser spectrometer, a reference H2O vapor absorption spectrum at P=0.0235±0.0036 bar and T=1723±6 K was measured with 0.0001 cm-1 resolution over the 7326-7598 cm-1 range. Comparison of the measured spectrum to simulations reveals errors in both the HITEMP and BT2 databases. This work establishes heated static cell capabilities at temperatures well above the typical limit of approximately 1300 K set by quartz material properties. This paper addresses the design of the cell as well as the cell's limitations.

  13. Electronic Absorption Spectra from MM and ab initio QM/MM Molecular Dynamics: Environmental Effects on the Absorption Spectrum of Photoactive Yellow Protein

    PubMed Central

    Isborn, Christine M.; Götz, Andreas W.; Clark, Matthew A.; Walker, Ross C.; Martínez, Todd J.

    2012-01-01

    We describe a new interface of the GPU parallelized TeraChem electronic structure package and the Amber molecular dynamics package for quantum mechanical (QM) and mixed QM and molecular mechanical (MM) molecular dynamics simulations. This QM/MM interface is used for computation of the absorption spectra of the photoactive yellow protein (PYP) chromophore in vacuum, aqueous solution, and protein environments. The computed excitation energies of PYP require a very large QM region (hundreds of atoms) covalently bonded to the chromophore in order to achieve agreement with calculations that treat the entire protein quantum mechanically. We also show that 40 or more surrounding water molecules must be included in the QM region in order to obtain converged excitation energies of the solvated PYP chromophore. These results indicate that large QM regions (with hundreds of atoms) are a necessity in QM/MM calculations. PMID:23476156

  14. Keto-enol tautomerism and conformational landscape of 1,3-cyclohexanedione from its free jet millimeter-wave absorption spectrum.

    PubMed

    Calabrese, Camilla; Maris, Assimo; Evangelisti, Luca; Favero, Laura B; Melandri, Sonia; Caminati, Walther

    2013-12-19

    The free jet millimeter-wave absorption spectrum of 1,3-cyclohexanedione has been investigated in the 59.6-74.4 GHz frequency range, and the rotational spectra of two conformational species, the chair-diketo and boat-diketo, and probably one excited vibrational state belonging to the chair-diketo form have been assigned. Quantum chemical calculations, performed at the B3LYP/6-311++G** and MP2/6-311++G** levels, were used to characterize the potential energy surface minima. The potential energy surface related to the interconversion of the observed diketonic species was modeled at the DFT level.

  15. Intestinal glucose absorption in calves as affected by different carbohydrate sources.

    PubMed

    Klinger, S; Noci, B; Müller, K; Breves, G

    2013-04-01

    From numerous recent studies, it has been demonstrated that the development of the forestomach system in ruminants and thus microbial carbohydrate fermentation do not exclude the potential of the small intestines for enzymatic carbohydrate digestion and subsequent monosaccharide absorption. However, the role of regulatory nutritional factors is still under discussion. Therefore, we investigated the kinetic parameters of intestinal Na(+) -dependent glucose absorption and SGLT1 expression using isolated brush border membrane vesicles (BBMV) from the jejunum of 10-week-old calves kept on either hay, concentrate or corn silage-based diets in addition to milk replacer. While the maximal transport capacity was significantly higher for concentrate and corn silage-fed animals, SGLT1 protein expression was highest in BBMV isolated from hay-fed animals. This observation differs from the prevalent conception that induction of Na(+) -dependent glucose uptake via SGLT1 is based on an increased number of transporters at the brush border membrane.

  16. A DRM for steady water absorption from different types of periodic channels

    NASA Astrophysics Data System (ADS)

    Solekhudin, I.

    2017-01-01

    In this paper, problems involving steady infiltration from a homogeneous soil with water absorption by plant roots are studied. Different geometries of periodic channels are considered. The governing equation of the problems is a Richards equation. This equation may not be solved analytically. Hence, a numerical method is needed. To do so, the equation is transformed into a modified Helmholtz equation using a set of transformations involving Kirchhoff transformation, dimensionless variables and an exponential transformation. The modified Helmholtz equation is then solved numerically using a Dual Reciprocity Method (DRM) with a predictor-corrector scheme. Results obtained from channels with different geometries are presented.

  17. Distinct difference in absorption pattern in pigs of betaine provided as a supplement or present naturally in cereal dietary fiber.

    PubMed

    Hedemann, Mette Skou; Theil, Peter Kappel; Lærke, Helle Nygaard; Bach Knudsen, Knud Erik

    2015-03-18

    The net absorption of betaine and choline was determined for 4 h after the first meal of the day in three experiments with porto-arterial catheterized pigs in which betaine was added as a supplement to a low-betaine diet (n=4 pigs) and compared to the net absorption of betaine and choline from high-fiber breads differing in amount and source of dietary fiber (two experiments, n=6 pigs each). Plasma betaine peaked after 30 min when betaine was fed as a supplement, whereas it peaked after 120-180 min when high-fiber breads were fed. Plasma betaine showed no diet×time interaction after feeding with high-fiber breads, indicating that the absorption kinetic did not differ between fiber sources. The net absorption of choline was not affected by the experimental diets. In conclusion, betaine in cereal sources has to be liberated from the matrix prior to absorption, causing delayed absorption.

  18. Band selection method based on spectrum difference in targets of interest in hyperspectral imagery

    NASA Astrophysics Data System (ADS)

    Zhang, Xiaohan; Yang, Guang; Yang, Yongbo; Huang, Junhua

    2016-10-01

    While hyperspectral data shares rich spectrum information, it has numbers of bands with high correlation coefficients, causing great data redundancy. A reasonable band selection is important for subsequent processing. Bands with large amount of information and low correlation should be selected. On this basis, according to the needs of target detection applications, the spectral characteristics of the objects of interest are taken into consideration in this paper, and a new method based on spectrum difference is proposed. Firstly, according to the spectrum differences of targets of interest, a difference matrix which represents the different spectral reflectance of different targets in different bands is structured. By setting a threshold, the bands satisfying the conditions would be left, constituting a subset of bands. Then, the correlation coefficients between bands are calculated and correlation matrix is given. According to the size of the correlation coefficient, the bands can be set into several groups. At last, the conception of normalized variance is used on behalf of the information content of each band. The bands are sorted by the value of its normalized variance. Set needing number of bands, and the optimum band combination solution can be get by these three steps. This method retains the greatest degree of difference between the target of interest and is easy to achieve by computer automatically. Besides, false color image synthesis experiment is carried out using the bands selected by this method as well as other 3 methods to show the performance of method in this paper.

  19. On the Acoustic Absorption of Porous Materials with Different Surface Shapes and Perforated Plates

    NASA Astrophysics Data System (ADS)

    CHEN, WEN-HWA; LEE, FAN-CHING; CHIANG, DAR-MING

    2000-10-01

    In architectural acoustic design, perforated plates are often used to protect porous materials from erosion. Although porous materials are usually applied to passive noise control, the effects of their surface shapes are seldom studied. To study the acoustic absorption of porous materials with different surface shapes and perforated plates, an efficient finite element procedure, which is derived by the Galerkin residual method and Helmholtz wave propagation equation, is used in this work. The two-microphone transfer function method and the modified Ingard and Dear impedance tube testing system are employed to measure the parameters deemed necessary for the finite element analysis, such as complex wave propagation constant, characteristic impedance and flow resistivity. For verifying the finite element results, the two-microphone transfer function method is also applied to measure the absorption coefficients of the discussed acoustic absorbers. Four surface shapes of commercially available porous materials, i.e., triangle, semicircle, convex rectangle and plate shapes, are chosen for analysis. The porosity of perforated plates is then evaluated. Finally, the distinct effect of the flow resistivity of porous materials on the acoustic absorption is demonstrated.

  20. Spectrum of induced absorption of oxygen in mixtures with various gases in the region of the Herzberg photodissociation continuum

    NASA Astrophysics Data System (ADS)

    Zelikina, G. Y.; Kiseleva, M. B.; Burtsev, Andrei P.; Bertsev, V. V.

    1999-01-01

    Values of the binary absorption coefficients are obtained for the region of Herzberg photodissociation continuum in mixtures of oxygen with various foreign gases X, where X - Ar, Kr, Xe, N2, N2O, CH4, C3H8, CO2, NH3, NF3, SF6, CF4, C2F6, C3F8, CF3H, CF3Cl, CF3Br, CF2ClH, CF2Cl2 - group I (the ionization potential of molecules >= 11 eV) and C2H4, CF3I, C2F5I - group II (the ionization potential < 11 eV). The induced absorption of the mixtures of O2 with gases from group I is found to result from the Herzberg III band of oxygen. The obtained regular dependence of the intensity of induced absorption in an O2 - X pair on the ionization potential of a molecule X, confirms the hypothesis that excited electronic states of the ionic type of the molecular pair serve as the main intensity source for the Herzberg III band. The long-wavelength wing of the charge transfer band of the O2 - X pair is shown to contribute to the induced absorption of the mixtures of O2 with gases from group II.

  1. Large two-photon absorption cross sections of hemiporphyrazines in the excited state: the multiphoton absorption process of hemiporphyrazines with different central metals.

    PubMed

    Dini, Danilo; Calvete, Mario J F; Hanack, Michael; Amendola, Vincenzo; Meneghetti, Moreno

    2008-09-17

    A series of five hemiporphyrazines (Hps) with different coordinating central atoms (H2, GeCl2, InCl, Pt, Pb), and the acyclic derivative 1,3-bis-(6'-amino-4'-butoxy-2'-pyridylimino)-1,3-dihydroisoindoline have been synthesized and their multiphoton absorption properties examined at the second harmonic frequency of the Nd:YAG laser in the nanosecond time regime. Metal-free and platinum Hps display saturation of optical transmittance within incident fluence values of 6 J cm(-2). Comparison with other similar molecular structures like phthalocyanines and related molecules shows that Hps are strong nonlinear absorbers. The experimental curves of nonlinear transmission at 532 nm have been fitted by means of a three-level model with the occurrence of simultaneous two-photon absorption from an excited state. In the sole case of the InCl complex we found that a five-level model is needed because of the participation of triplet states. Contrary to phthalocyanines, naphthalocyanines, and porphyrins, a heavy central atom does not improve the nonlinear absorption properties since a different excited states dynamic is involved. The large nonlinear absorption of Hps combined with the very small absorption in the visible spectral range makes these molecules a very interesting class of molecules for nonlinear optical applications.

  2. [Spectrum Variance Analysis of Tree Leaves Under the Condition of Different Leaf water Content].

    PubMed

    Wu, Jian; Chen, Tai-sheng; Pan, Li-xin

    2015-07-01

    Leaf water content is an important factor affecting tree spectral characteristics. So Exploring the leaf spectral characteristics change rule of the same tree under the condition of different leaf water content and the spectral differences of different tree leaves under the condition of the same leaf water content are not only the keys of hyperspectral vegetation remote sensing information identification but also the theoretical support of research on vegetation spectrum change as the differences in leaf water content. The spectrometer was used to observe six species of tree leaves, and the reflectivity and first order differential spectrum of different leaf water content were obtained. Then, the spectral characteristics of each tree species leaves under the condition of different leaf water content were analyzed, and the spectral differences of different tree species leaves under the condition of the same leaf water content were compared to explore possible bands of the leaf water content identification by hyperspectral remote sensing. Results show that the spectra of each tree leaf have changed a lot with the change of the leaf water content, but the change laws are different. Leaf spectral of different tree species has lager differences in some wavelength range under the condition of same leaf water content, and it provides some possibility for high precision identification of tree species.

  3. Specific absorption spectra of hemoglobin at different PO2 levels: potential noninvasive method to detect PO2 in tissues.

    PubMed

    Liu, Peipei; Zhu, Zhirong; Zeng, Changchun; Nie, Guang

    2012-12-01

    Hemoglobin (Hb), as one of main components of blood, has a unique quaternary structure. Its release of oxygen is controlled by oxygen partial pressure (PO2). We investigate the specific spectroscopic changes in Hb under different PO2 levels to optimize clinical methods of measuring tissue PO2. The transmissivity of Hb under different PO2 levels is measured with a UV/Vis fiber optic spectrometer. Its plotted absorption spectral curve shows two high absorption peaks at 540 and 576 nm and an absorption valley at 560 nm when PO2 is higher than 100 mm Hg. The two high absorption peaks decrease gradually with a decrease in PO2, whereas the absorption valley at 560 nm increases. When PO2 decreases to approximately 0 mm Hg, the two high absorption peaks disappear completely, while the absorption valley has a hypochromic shift (8 to 10 nm) and forms a specific high absorption peak at approximately 550 nm. The same phenomena can be observed in visible reflectance spectra of finger-tip microcirculation. Specific changes in extinction coefficient and absorption spectra of Hb occur along with variations in PO2, which could be used to explain pathological changes caused by tissue hypoxia and for early detection of oxygen deficiency diseases in clinical monitoring.

  4. Specific absorption spectra of hemoglobin at different PO2 levels: potential noninvasive method to detect PO2 in tissues

    NASA Astrophysics Data System (ADS)

    Liu, Peipei; Zhu, Zhirong; Zeng, Changchun; Nie, Guang

    2012-12-01

    Hemoglobin (Hb), as one of main components of blood, has a unique quaternary structure. Its release of oxygen is controlled by oxygen partial pressure (PO2). We investigate the specific spectroscopic changes in Hb under different PO2 levels to optimize clinical methods of measuring tissue PO2. The transmissivity of Hb under different PO2 levels is measured with a UV/Vis fiber optic spectrometer. Its plotted absorption spectral curve shows two high absorption peaks at 540 and 576 nm and an absorption valley at 560 nm when PO2 is higher than 100 mm Hg. The two high absorption peaks decrease gradually with a decrease in PO2, whereas the absorption valley at 560 nm increases. When PO2 decreases to approximately 0 mm Hg, the two high absorption peaks disappear completely, while the absorption valley has a hypochromic shift (8 to 10 nm) and forms a specific high absorption peak at approximately 550 nm. The same phenomena can be observed in visible reflectance spectra of finger-tip microcirculation. Specific changes in extinction coefficient and absorption spectra of Hb occur along with variations in PO2, which could be used to explain pathological changes caused by tissue hypoxia and for early detection of oxygen deficiency diseases in clinical monitoring.

  5. Optical Absorption Spectra of Ternary Complex of Praseodymium in Different Environment

    NASA Astrophysics Data System (ADS)

    Gupta, Anup Kumar; Ujjwal, Shri Kishan

    The optical absorption spectra of complex of Praseodymium in different solvents i.e water, Methanol, Ethanol & Acetic Acid have been recorded in visible region (360-620 nm for Pr3+) using amino acid as primary ligand and diol as secondary ligand. The value of energies & intensities of various transitions have been calculated using Judd-Ofelt relation is in good agreement with experimental result. The study of complex found it to be covalent in nature. The spectra in visible region have been recorded on model uv-2601 Rayleigh analytical instrument corp.

  6. Nonlinear absorption coefficient and optically detected electrophonon resonance in cylindrical GaAs/AlAs quantum wires with different confined phonon models

    NASA Astrophysics Data System (ADS)

    Khoa, Doan Quoc; Phuong, Le Thi Thu; Hoi, Bui Dinh

    2017-03-01

    A quantum kinetic equation for electrons interacting with confined phonons is used to investigate the nonlinear absorption of an intense electromagnetic wave by electrons in cylindrical GaAs/AlAs quantum wires. The analytic expression for absorption coefficient is calculated for three models of confined optical phonons: the dielectric continuum (DC), hydrodynamic continuum (HC), and Huang-Zhu (HZ) models. The absorption coefficient depends on the square of the electromagnetic wave amplitude. The electrophonon resonance and optically detected electrophonon resonance (ODEPR) are observed through the absorption spectrum. The full width at half maximum (the line-width) of the ODEPR peaks is obtained by a computational method. The line-width is found to increase with increasing temperature and decrease with increasing the quantum wire radius. In particular, numerical results show that the DC and HZ models lead to a similar behaviour of electron - confined phonon interaction whereas the HC model results in a quite different one, especially at small quantum wire radius. For large quantum wire radii, above mentioned phonon models have equivalent contributions to the ODEPR line-width.

  7. Contribution of a visual pigment absorption spectrum to a visual function: depth perception in a jumping spider.

    PubMed

    Nagata, Takashi; Arikawa, Kentaro; Terakita, Akihisa

    2013-01-01

    Absorption spectra of visual pigments are adaptively tuned to optimize informational capacity in most visual systems. Our recent investigation of the eyes of the jumping spider reveals an apparent exception: the absorption characteristics of a visual pigment cause defocusing of the image, reducing visual acuity generally in a part of the retina. However, the amount of defocus can theoretically provide a quantitative indication of the distance of an object. Therefore, we proposed a novel mechanism for depth perception in jumping spiders based on image defocus. Behavioral experiments revealed that the depth perception of the spider depended on the wavelength of the ambient light, which affects the amount of defocus because of chromatic aberration of the lens. This wavelength effect on depth perception was in close agreement with theoretical predictions based on our hypothesis. These data strongly support the hypothesis that the depth perception mechanism of jumping spiders is based on image defocus.

  8. Localized absorption in aluminum mask in visible spectrum due to longitudinal modes in vertical silicon nanowire arrays

    NASA Astrophysics Data System (ADS)

    Dhindsa, Navneet; Saini, Simarjeet Singh

    2015-06-01

    Localized optical absorption in aluminum masks used for vertical silicon nanowire fabrication is demonstrated experimentally and supported using computer simulations. The mask is in the form of 30 nm thick aluminum nano-disks on top of silicon nanowires arranged in square lattices. The nanowires are 1 μm long, with diameters ranging from 60 nm to 100 nm and spaced 400 nm apart. New spectral features appear in the 500 nm-700 nm wavelengths range and are dependent on both the nanowire diameter and length. The former is due to the excitation of radial modes, whereas the latter stems from longitudinal (Fabry-Perot) resonances. The salient features associated with absorption in the aluminum mask and the role nanowire plays in this connection are discussed.

  9. Diagnosis lost: Differences between children who had and who currently have an autism spectrum disorder diagnosis.

    PubMed

    Blumberg, Stephen J; Zablotsky, Benjamin; Avila, Rosa M; Colpe, Lisa J; Pringle, Beverly A; Kogan, Michael D

    2016-10-01

    Autism spectrum disorder diagnoses sometimes change due to misdiagnosis, maturation, or treatment. This study uses a probability-based national survey-the Survey of Pathways to Diagnosis and Services-to compare currently diagnosed (n = 1420) and previously diagnosed (n = 187) children aged 6-17 years based on retrospective parental reports of early concerns about their children's development, responses to those concerns by doctors and other healthcare providers, the type of provider who made the first autism spectrum disorder diagnosis, and the autism spectrum disorder subtype diagnoses received (if any). Propensity score matching was used to control for differences between the groups on children's current level of functioning and other current characteristics that may have been related to diagnosis loss. Approximately 13% of the children ever diagnosed with autism spectrum disorder were estimated to have lost the diagnosis, and parents of 74% of them believed it was changed due to new information. Previously diagnosed children were less likely to have parents with early concerns about verbal skills, nonverbal communication, learning, and unusual gestures or movements. They were also less likely to have been referred to and diagnosed by a specialist. Previously diagnosed children were less likely to have ever received a diagnosis of Asperger's disorder or autistic disorder.

  10. Diagnosing the reionization of the universe - The absorption spectrum of the intergalactic medium and Lyman alpha clouds

    NASA Technical Reports Server (NTRS)

    Giroux, Mark L.; Shapiro, Paul R.

    1991-01-01

    The thermal and ionization evolution of a uniform intergalactic medium composed of H and He and undergoing reionization is studied. The diagnosis of the metagalactic ionizing radiation background at z of about three using metal line ratios for Lyman limit quasar absorption line systems is addressed. The use of the He II Gunn-Peterson effect to diagnose the reionization source and/or nature of the Hy-alpha forest clouds is considered.

  11. Chandra Discovery of Intervening, Local and Intrinsic Highly Ionized Absorption in an extremely bright high resolution X-ray spectrum of an Extragalactic Source

    NASA Astrophysics Data System (ADS)

    Nicastro, F.; Elvis, M.; Fang, T.; Mathur, S.; Siemiginowska, A.; Zezas, A.

    2003-03-01

    In this contribution we present the brightest high resolution X-ray spectrum ever taken for an extragalactic source. Following our ToO request, Chandra observed the blazar Mkn 421 (z=0.03) during an exceptionally high-luminosity flare. The observation lasted about 100 ks, during which the source reached a flux level of > 0.1 Crab in the 0.5-2 keV band This allowed us to collect 4.2 million counts in the 1st-order ACIS-LETG spectrum of Mkn 421, and more than 3000 counts per resolution elements at the rest frame wavelength of the OVII Kα resonant transitions (21.6 Å). A forest of very weak (EW=3.1-10 mÅ) resonant absorption lines is detected from the rest frame wavelength of the OVII Kα all the way down to the position of the OVII Kα line at the source redshift. We identify these lines as due to: (a) Local Group Warm-Hot Intergalactic Medium (WHIM) absorption, (b) intervening WHIM absorption at redshifts z=0.01 (associated with faint H Lyα absorption) and z=0.025, and (c) intrinsic source absorption. The strongest of these systems is associated with the local WHIM first discovered along the line of sight to PKS 2155-304 (Nicastro et al., 2002, 2003), and now observed (always with consistent gas properties) along all the lines of sight for which Chandra high resolution spectra with sufficient signal to noise ratio are available. The faintest systems (probing OVII column densities as low as 1015 cm-2) are those identified as due to the two intervening WHIM systems. If both these identification are correct this discovery implies a number of intervening OVII WHIM systems per unit redshift of dN/dz(NOVII>1015) = 75, about 3-4 times larger than the corresponding number estimated for OVI systems in the local Universe (down to OVI EW of 60 mÅ). The WHIM baryon fraction implied depends slightly on the ionization correction applied, and ranges between 40 % and 60 % of the total baryons at z<2, so confirming hydrodynamical simulation predictions and accounting for all of

  12. Ultrafast transient absorption spectrum of the room temperature Ionic liquid 1-hexyl-3-methylimidazolium bromide: Confounding effects of photo-degradation

    NASA Astrophysics Data System (ADS)

    Musat, Raluca M.; Crowell, Robert A.; Polyanskiy, Dmitriy E.; Thomas, Marie F.; Wishart, James F.; Katsumura, Yosuke; Takahashi, Kenji

    2015-12-01

    The photochemistry of the charge transfer (CT) band of the room temperature ionic liquid (RTIL) 1-hexyl-3-methylimidazolium bromide (HMIm+/Br-) is investigated using near-IR to vis ultrafast transient absorption (TA) and steady-state UV absorption spectroscopies. Continuous irradiation of the CT band at 266 nm results in the formation of photo-products that absorb strongly at 266 nm. It is shown that these photo-products, which are apparently very stable, adversely affect ultrafast TA measurements. Elimination of these effects reveals at least two transient species that exist within the TA detection window of 100 fs to 3 ns and 500-1250 nm. One of the components is a short-lived (<1 ps) species that absorbs at 1080 nm. The second band exhibits a multicomponent spectrum that is very broad with an absorption maximum around 600 nm and a lifetime that is longer than the 3 ns window of our TA spectrometer. Within the signal to noise ratio of the TA spectrometer little to no solvated electron is generated by the CT mechanism.

  13. Sex Differences in Children with Autism Spectrum Disorder Identified within a High-Risk Infant Cohort

    ERIC Educational Resources Information Center

    Zwaigenbaum, Lonnie; Bryson, Susan E.; Szatmari, Peter; Brian, Jessica; Smith, Isabel M.; Roberts, Wendy; Vaillancourt, Tracy; Roncadin, Caroline

    2012-01-01

    Sex differences were examined in 3-year-olds with autism spectrum disorders (ASD) ascertained from a high-risk cohort, and high- and low-risk comparison groups. Participants included 319 high-risk siblings and 129 low-risk controls. Eighty-five siblings were diagnosed with ASD, including 57 of 176 boys (32.4%) and 28 of 143 girls (19.6%), implying…

  14. Autism Spectrum Disorders: Sex Differences in Autistic Behaviour Domains and Coexisting Psychopathology

    ERIC Educational Resources Information Center

    Holtmann, Martin; Bolte, Sven; Poustka, Fritz

    2007-01-01

    The purpose of the present study was to examine possible differences between high-functioning males and females with autism spectrum disorder (ASD) regarding the core symptoms of autism and coexisting psychopathology. A total of 23 females and 23 males matched for age, IQ, and ASD diagnoses were recruited(mean age 11y 9mo [SD 4y 5mo], range 5y-20y…

  15. [Determination of inorganic elements in different parts of Sonchus oleraceus L by flame atomic absorption spectrometry].

    PubMed

    Wang, Nai-Xing; Cui, Xue-Gui; Du, Ai-Qin; Mao, Hong-Zhi

    2007-06-01

    Flame atomic absorption spectrometry with air-acetylene flame was used for the determination of inorganic metal elements in different parts ( flower, leaf, stem and root) of Sonchus oleraceus L. The contents of Ca, Mg, K, Na, Fe, Mn, Cu, Zn, Cr, Co, Ni, Pb and Cd in the flower, leaf, stem and root of Sonchus oleraceus L were compared. The order from high to low of the additive weight (microg x g(-1)) for the 13 kinds of metal elements is as follows: leaf (77 213.72) > flower (47 927.15) > stem(42 280.99) > root (28 131.18). From the experimental results it was found that there were considerable differences in the contents of the metal elements in different parts, and there were richer contents of Fe, Zn, Mn and Cu in root and flower, which are necessary to human health, than in other parts.

  16. Reproducibility of (n,γ) gamma ray spectrum in Pb under different ENDF/B releases

    NASA Astrophysics Data System (ADS)

    Kebwaro, J. M.; He, C. H.; Zhao, Y. L.

    2016-04-01

    Radiative capture reactions are of interest in shielding design and other fundamental research. In this study the reproducibility of (n,γ) reactions in Pb when cross-section data from different ENDF/B releases are used in the Monte-Carlo code, MCNP, was investigated. Pb was selected for this study because it is widely used in shielding applications where capture reactions are likely to occur. Four different neutron spectra were declared as source in the MCNP model which consisted of a simple spherical geometry. The gamma ray spectra due to the capture reactions were recorded at 10 cm from the center of the sphere. The results reveal that the gamma ray spectrum produced by ENDF/B-V is in reasonable agreement with that produced when ENDF/B-VI.6 is used. However the spectrum produced by ENDF/B-VII does not reveal any primary gamma rays in the higher energy region (E > 3 MeV). It is further observed that the intensities of the capture gamma rays produced when various releases are used differ by a some margin showing that the results are not reproducible. The generated spectra also vary with the spectrum of the source neutrons. The discrepancies observed among various ENDF/B releases could raise concerns to end users and need to be addressed properly during benchmarking calculations before the next release. The evaluation from ENDF to ACE format that is supplied with MCNP should also be examined because errors might have arisen during the evaluation.

  17. Accurate modeling of fluorescence line narrowing difference spectra: Direct measurement of the single-site fluorescence spectrum

    NASA Astrophysics Data System (ADS)

    Reppert, Mike; Naibo, Virginia; Jankowiak, Ryszard

    2010-07-01

    Accurate lineshape functions for modeling fluorescence line narrowing (FLN) difference spectra (ΔFLN spectra) in the low-fluence limit are derived and examined in terms of the physical interpretation of various contributions, including photoproduct absorption and emission. While in agreement with the earlier results of Jaaniso [Proc. Est. Acad. Sci., Phys., Math. 34, 277 (1985)] and Fünfschilling et al. [J. Lumin. 36, 85 (1986)], the derived formulas differ substantially from functions used recently [e.g., M. Rätsep et al., Chem. Phys. Lett. 479, 140 (2009)] to model ΔFLN spectra. In contrast to traditional FLN spectra, it is demonstrated that for most physically reasonable parameters, the ΔFLN spectrum reduces simply to the single-site fluorescence lineshape function. These results imply that direct measurement of a bulk-averaged single-site fluorescence lineshape function can be accomplished with no complicated extraction process or knowledge of any additional parameters such as site distribution function shape and width. We argue that previous analysis of ΔFLN spectra obtained for many photosynthetic complexes led to strong artificial lowering of apparent electron-phonon coupling strength, especially on the high-energy side of the pigment site distribution function.

  18. Differences in synthesis and absorption of cholesterol of two effective lipid-lowering therapies

    PubMed Central

    Kasmas, S.H.; Izar, M.C.; França, C.N.; Ramos, S.C.; Moreira, F.T.; Helfenstein, T.; Moreno, R.A.; Borges, N.C.; Figueiredo-Neto, A.M.; Fonseca, F.A.

    2012-01-01

    Effective statin therapy is associated with a marked reduction of cardiovascular events. However, the explanation for full benefits obtained for LDL cholesterol targets by combined lipid-lowering therapy is controversial. Our study compared the effects of two equally effective lipid-lowering strategies on markers of cholesterol synthesis and absorption. A prospective, open label, randomized, parallel design study, with blinded endpoints, included 116 subjects. We compared the effects of a 12-week treatment with 40 mg rosuvastatin or the combination of 40 mg simvastatin/10 mg ezetimibe on markers of cholesterol absorption (campesterol and β-sitosterol), synthesis (desmosterol), and their ratios to cholesterol. Both therapies similarly decreased total and LDL cholesterol, triglycerides and apolipoprotein B, and increased apolipoprotein A1 (P < 0.05 vs baseline for all). Simvastatin/ezetimibe increased plasma desmosterol (P = 0.012 vs baseline), and decreased campesterol and β-sitosterol (P < 0.0001 vs baseline for both), with higher desmosterol (P = 0.007) and lower campesterol and β-sitosterol compared to rosuvastatin, (P < 0.0001, for both). In addition, rosuvastatin increased the ratios of these markers to cholesterol (P < 0.002 vs baseline for all), whereas simvastatin/ezetimibe significantly decreased the campesterol/cholesterol ratio (P = 0.008 vs baseline) and tripled the desmosterol/cholesterol ratio (P < 0.0001 vs baseline). The campesterol/cholesterol and β-sitosterol/cholesterol ratios were lower, whereas the desmosterol/cholesterol ratio was higher in patients receiving simvastatin/ezetimibe (P < 0.0001 vs rosuvastatin, for all). Pronounced differences in markers of cholesterol absorption and synthesis were observed between two equally effective lipid-lowering strategies. PMID:22801416

  19. Investigation of the 2-0 pressure-induced vibrational absorption spectrum of hydrogen at temperatures below ambient

    NASA Technical Reports Server (NTRS)

    Silvaggio, P. M.; Goorvitch, D.; Boese, R. W.

    1981-01-01

    A theoretical fit has been made to our laboratory measurements of the 2-0 collisionally induced H2 absorption band for temperatures of 122 and 273.3 K and at a density of 20 amagats. A Lennard-Jones 6-12 intermolecular potential and a Birnbaum-Cohen line profile have been used. The fit resulted in a chi-square of 0.2%. Line widths have also been derived as a function of temperature. The lifetimes of the states have been calculated.

  20. Investigation of the 1-0 pressure-induced vibrational absorption spectrum of hydrogen at temperatures below ambient

    NASA Technical Reports Server (NTRS)

    Goorvitch, D.; Silvaggio, P. M.; Boese, R. W.

    1981-01-01

    A theoretical fit has been made to laboratory measurements of the 1-0 collisionally induced H2 absorption band over a temperature range of 100-273 K and for densities up to 22 amagats. Both the Birnbaum-Cohen and the MacTaggert-Hunt line shape profiles were used. In addition, an intermolecular potential of either a Lennard-Jones 6-12 or a Morse-spline-van der Waals has been used for each line shape. The best fit resulted in a chi-square of 5%. Line widths have also been derived as a function of temperature. The lifetimes of the states were calculated.

  1. The `Chocolate Experiment' - A Demonstration of Radiation Absorption by Different Colored Surfaces

    NASA Astrophysics Data System (ADS)

    Fung, Dennis

    2015-12-01

    In the typical "cookbook" experiment comparing the radiation absorption rates of different colored surfaces, students' hands are commonly used as a measurement instrument to demonstrate that dull black and silvery surfaces are good and poor absorbers of radiation, respectively. However, college students are often skeptical about using their bare hands in this experiment because they learned in early science lessons that skin is not a reliable detector of heat transfer. Moreover, when the experiment is conducted in a school laboratory, it is often difficult for students to perceive the slight differences in heat transfer on the dull black and silvery aluminum leaves attached to their hands. Rather than replacing students' bare hands with such sophisticated apparatus as a data logger and temperature probe, I suggest using a simple (and delicious!) low-cost instrument, i.e., chocolate, which simply melts when it receives radiation.

  2. Experimental and theoretical study of absorption spectrum of the (CH3)2CO···HF complex. Influence of anharmonic interactions on the frequency and intensity of the C=O and H-F stretching bands.

    PubMed

    Bulychev, V P; Svishcheva, E A; Tokhadze, K G

    2014-01-03

    IR absorption spectra of mixtures (CH3)2CO/HF and free (CH3)2CO molecules are recorded in the region of 4000-900 cm(-1) with a Bruker IFS-125 HR vacuum Fourier spectrometer at room temperature with a resolution up to 0.02 cm(-1). Spectral characteristics of the 2ν(C=O) overtone band of free acetone are reliably measured. The ν1(HF) and ν(C=O) absorption bands of the (CH3)2CO···HF complex are obtained by subtracting the absorption bands of free HF and acetone and absorption lines of atmospheric water from the experimental spectrum of mixtures. The experimental data are compared with theoretical results obtained from variational solutions of 1D-4D vibrational Schrödinger equations. The anharmonic potential energy and dipole moment surfaces used in the calculations were computed in the MP2/6-311++G(2d,2p) approximation with corrections for the basis set superposition error. Comparison of the data derived from solutions for different combinations of vibrational degrees of freedom shows that taking the inter-mode anharmonic interactions into account has different effects on the transition frequencies and intensities. Particular attention has been given to elucidation of the influence of anharmonic coupling of the H-F and C=O stretches with the low-frequency intermolecular modes on their frequencies and intensities and the strength of resonance between the fundamental H-F and the first overtone C=O transitions.

  3. Chemical shifts of K-X-ray absorption edges on copper in different compounds by X-ray absorption spectroscopy (XAS) with Synchrotron radiation

    NASA Astrophysics Data System (ADS)

    Joseph, D.; Basu, S.; Jha, S. N.; Bhattacharyya, D.

    2012-03-01

    Cu K X-ray absorption edges were measured in compounds such as CuO, Cu(CH3CO2)2, Cu(CO3)2, and CuSO4 where Cu is present in oxidation state of 2+, using the energy dispersive EXAFS beamline at INDUS-2 Synchrotron radiation source at RRCAT, Indore. Energy shifts of ˜4-7 eV were observed for Cu K X-ray absorption edge in the above compounds compared to its value in elemental copper. The difference in the Cu K edge energy shifts in the different compounds having same oxidation state of Cu shows the effect of different chemical environments surrounding the cation in the above compounds. The above chemical effect has been quantitatively described by determining the effective charges on Cu cations in the above compounds.

  4. Cl2O photochemistry: ultraviolet/vis absorption spectrum temperature dependence and O(3P) quantum yield at 193 and 248 nm.

    PubMed

    Papanastasiou, Dimitrios K; Feierabend, Karl J; Burkholder, James B

    2011-05-28

    The photochemistry of Cl(2)O (dichlorine monoxide) was studied using measurements of its UV/vis absorption spectrum temperature dependence and the O((3)P) atom quantum yield, Φ(Cl(2)O)(O)(λ), in its photolysis at 193 and 248 nm. The Cl(2)O UV/vis absorption spectrum was measured over the temperature range 201-296 K between 200 and 500 nm using diode array spectroscopy. Cl(2)O absorption cross sections, σ(Cl(2)O)(λ,T), at temperatures <296 K were determined relative to its well established room temperature values. A wavelength and temperature dependent parameterization of the Cl(2)O spectrum using the sum of six Gaussian functions, which empirically represent transitions from the ground (1)A(1) electronic state to excited states, is presented. The Gaussian functions are found to correlate well with published theoretically calculated vertical excitation energies. O((3)P) quantum yields in the photolysis of Cl(2)O at 193 and 248 nm were measured using pulsed laser photolysis combined with atomic resonance fluorescence detection of O((3)P) atoms. O((3)P) quantum yields were measured to be 0.85 ± 0.15 for 193 nm photolysis at 296 K and 0.20 ± 0.03 at 248 nm, which was also found to be independent of temperature (220-352 K) and pressure (17 and 28 Torr, N(2)). The quoted uncertainties are at the 2σ (95% confidence) level and include estimated systematic errors. ClO radical temporal profiles obtained following the photolysis of Cl(2)O at 248 nm, as reported previously in Feierabend et al. [J. Phys. Chem. A 114, 12052, (2010)], were interpreted to establish a <5% upper-limit for the O + Cl(2) photodissociation channel, which indicates that O((3)P) is primarily formed in the three-body, O + 2Cl, photodissociation channel at 248 nm. The analysis also indirectly provided a Cl atom quantum yield of 1.2 ± 0.1 at 248 nm. The results from this work are compared with previous studies where possible.

  5. [The change in lipoid spectrum in blood serum in girls of different somatotypes after meals].

    PubMed

    Fefelova, Iu A

    2010-01-01

    State Educational Institution for Professional Education - Prof. Voyno-Yasenetzkiy's High School of Krasnoyarsk State Medical Academy of Russian Public Health Ministry. We carried out the analysis of the changes in the spectrum of neutral lipoids and phospholipoids in blood serum as a response to meals in girls of different somatotypes. We revealed statistically true lowering of lipid acids content in representatives of all examined somatotypes after meals. Statistically true increase of simply oxidized fractions of phospholipoids in girls of sub-athletic and athletic somatotypes testifies on the change in the ratio of dynamics components of lipoid spectrum of lipoproteids. Balanced fractions of phospholipoids as well as free cholesterol are the main structural components in lipoproteid membranes and they didn't change in any of the studied somatotypes as a response to meals. This proves the stability of membrane structure of lipoproteid complexes as a response to the given physiological stimulus.

  6. Determination of spectrum and different temperature of spontaneous chemiluminescence in rice seeds during early imbibition

    NASA Astrophysics Data System (ADS)

    Chen, WenLi; Xing, Da; Van Wijk, Roeland

    2005-02-01

    With high-sensitivity single-photon counter, spontaneous chemiluminescence (CL) spectrum and different temperature study on rice (Oryza sativa L.) seeds during early imbibition were carried out. The emission spectrum of whole rice seed, rice and coat had a greater proportion of red light during early imbibition. Comparing with spontaneous CL of barley (Hordeum vulgare L.) and soybean (Glycine max L. Merr) seeds, the spontaneous CL of rice seeds had a nonlinear, logarithmic-like increase of intensity in the T range 30-50°C, the Van't Hoff coefficient Q10=IT+10/IT is equal to 2, which led us to the conclusion that spontaneous CL of rice seed during early imbibition partly came from enzyme catalyzing chemistry reaction.

  7. Spectral Similarity Assessment Based on a Spectrum Reflectance-Absorption Index and Simplified Curve Patterns for Hyperspectral Remote Sensing.

    PubMed

    Ma, Dan; Liu, Jun; Huang, Junyi; Li, Huali; Liu, Ping; Chen, Huijuan; Qian, Jing

    2016-01-26

    Hyperspectral images possess properties such as rich spectral information, narrow bandwidth, and large numbers of bands. Finding effective methods to retrieve land features from an image by using similarity assessment indices with specific spectral characteristics is an important research question. This paper reports a novel hyperspectral image similarity assessment index based on spectral curve patterns and a reflection-absorption index. First, some spectral reflection-absorption features are extracted to restrict the subsequent curve simplification. Then, the improved Douglas-Peucker algorithm is employed to simplify all spectral curves without setting the thresholds. Finally, the simplified curves with the feature points are matched, and the similarities among the spectral curves are calculated using the matched points. The Airborne Visible Infrared Imaging Spectrometer (AVIRIS) and Reflective Optics System Imaging Spectrometer (ROSIS) hyperspectral image datasets are then selected to test the effect of the proposed index. The practical experiments indicate that the proposed index can achieve higher precision and fewer points than the traditional spectral information divergence and spectral angle match.

  8. Anomalous band gap behavior in mixed Sn and Pb perovskites enables broadening of absorption spectrum in solar cells.

    PubMed

    Hao, Feng; Stoumpos, Constantinos C; Chang, Robert P H; Kanatzidis, Mercouri G

    2014-06-04

    Perovskite-based solar cells have recently been catapulted to the cutting edge of thin-film photovoltaic research and development because of their promise for high-power conversion efficiencies and ease of fabrication. Two types of generic perovskites compounds have been used in cell fabrication: either Pb- or Sn-based. Here, we describe the performance of perovskite solar cells based on alloyed perovskite solid solutions of methylammonium tin iodide and its lead analogue (CH3NH3Sn(1-x)Pb(x)I3). We exploit the fact that, the energy band gaps of the mixed Pb/Sn compounds do not follow a linear trend (the Vegard's law) in between these two extremes of 1.55 and 1.35 eV, respectively, but have narrower bandgap (<1.3 eV), thus extending the light absorption into the near-infrared (~1,050 nm). A series of solution-processed solid-state photovoltaic devices using a mixture of organic spiro-OMeTAD/lithium bis(trifluoromethylsulfonyl)imide/pyridinium additives as hole transport layer were fabricated and studied as a function of Sn to Pb ratio. Our results show that CH3NH3Sn(0.5)Pb(0.5)I3 has the broadest light absorption and highest short-circuit photocurrent density ~20 mA cm(-2) (obtained under simulated full sunlight of 100 mW cm(-2)).

  9. Spectral Similarity Assessment Based on a Spectrum Reflectance-Absorption Index and Simplified Curve Patterns for Hyperspectral Remote Sensing

    PubMed Central

    Ma, Dan; Liu, Jun; Huang, Junyi; Li, Huali; Liu, Ping; Chen, Huijuan; Qian, Jing

    2016-01-01

    Hyperspectral images possess properties such as rich spectral information, narrow bandwidth, and large numbers of bands. Finding effective methods to retrieve land features from an image by using similarity assessment indices with specific spectral characteristics is an important research question. This paper reports a novel hyperspectral image similarity assessment index based on spectral curve patterns and a reflection-absorption index. First, some spectral reflection-absorption features are extracted to restrict the subsequent curve simplification. Then, the improved Douglas-Peucker algorithm is employed to simplify all spectral curves without setting the thresholds. Finally, the simplified curves with the feature points are matched, and the similarities among the spectral curves are calculated using the matched points. The Airborne Visible Infrared Imaging Spectrometer (AVIRIS) and Reflective Optics System Imaging Spectrometer (ROSIS) hyperspectral image datasets are then selected to test the effect of the proposed index. The practical experiments indicate that the proposed index can achieve higher precision and fewer points than the traditional spectral information divergence and spectral angle match. PMID:26821030

  10. Application of modified difference absorption method to stand-off detection of alcohol in simulated car cabins

    NASA Astrophysics Data System (ADS)

    Kubicki, Jan; Młyńczak, Jaroslaw; Kopczyński, Krzysztof

    2013-01-01

    Some aspects of stand-off detection of alcohol in simulated car cabins are described. The proposed method is the well-known "difference absorption" method applied to the differential absorption lidar system, modified by taking advantage of a third laser beam. The modification was motivated by the familiar physical phenomena such as dispersion and different absorption coefficients in window panes for applied laser wavelengths. The mathematical expressions for the method were derived and confirmed by experiments. The presented investigations indicate that the method can be successfully applied to stand-off detection of ethyl alcohol in moving cars.

  11. [Infrared Spectrum Analysis of Propolis and Tree Gum Collected from Different Areas].

    PubMed

    Luo, Huo-lin; Liu, Xing-xing; Gong, Shang-ji; Guo, Xia-li; Luo, Li-ping

    2015-11-01

    Propolis possesses functions of antibacterial, antiviral, anticancer, and liver protection, and is known as the "purple gold", however, the phenomenon which making and selling of counterfeit are growing in intensity. In order to establish a authenticity and quality of propolis evaluation model, in this paper, forty-one Chinese propolis, one proplis from United States and two tree gums were used for experimental materials. The infrared spectrum collection was performed by Fourier transform infrared spectrometer, and principal component analysis (PCA) was used for data analysis. The result showed that, the intrared spectrum of propolis and tree gum were significantly different. The propolis characteristic peak only appeared in 2500-3500 and 400-1800 cm⁻¹. All propolis had two frequency region of characteristic peaks, 2849.08-2848.53 and 2917.74- 2916.76 cm⁻¹, but tree gum did not have characteristic peak in this region. The characteristic peaks of gum were in 1150-1300 and 1550-1650 cm⁻¹. Differences in these aspects can be used to distinguish propolis and gum, and can be used to identify true and false propolis. We use Qinghai propolis as a standard sample, in 42 samples, the matching degree of other propolis is > 80%. In addition, the result of PCA shows that tree gum and the propolis from different climate zone, or with different colors could be distinguished well. This paper firstly performed analysis on different propolis and gum by infrared spectrum, and a new method, for authenticity and quality of propolis identification, could be developed.

  12. Total zinc absorption in young women, but not fractional zinc absorption, differs between vegetarian and meat-based diets with equal phytic acid content.

    PubMed

    Kristensen, Mette Bach; Hels, Ole; Morberg, Catrine M; Marving, Jens; Bügel, Susanne; Tetens, Inge

    2006-05-01

    Zn bioavailability is often lower in vegetarian diets mainly due to low Zn and high phytic acid contents. The objective of the present study was to determine the fractional and total absorption of Zn from a vegetarian diet in comparison with meat diets with equal concentrations of phytic acid. A randomized cross-over design, comprising three whole-day diet periods of 5 d each, with a vegetarian diet or diets containing Polish-produced meat or Danish-produced meat, was conducted. Twelve healthy female subjects completed the study. All diets had a high content of phytic acid (1250 micromol/d) and in the meat diets the main meals contained 60 g pork meat. All main meals were extrinsically labelled with the radioactive isotope 65Zn and absorption of Zn was measured in a whole-body counter. The mean Zn content of the whole-day diet was: Polish meat diet 9.9 (SE 0.14) mg, Danish meat diet 9.4 (SE 0.19) mg and vegetarian diet 7.5 (SE 0.18) mg. No difference was observed in the fractional absorption of Zn (Polish meat diet: 27 (SE 1.2) %, Danish meat diet: 27 (SE 1.9) % and vegetarian diet: 23 (SE 2.6) %). A significantly lower amount of total Zn was absorbed from the vegetarian diet (mean Zn absorption of Polish meat diet: 2.7 (SE 0.12) mg/d (P<0.001), Danish meat diet: 2.6 (SE 0.17) mg/d (P=0.006) and vegetarian diet: 1.8 (SE 0.20) mg/d). In conclusion, the vegetarian diet compared with the meat-based diets resulted in lower amounts of absorbed Zn due to a higher content of Zn in the meat diets, but no difference was observed in the fractional absorption of Zn.

  13. FUSE and STIS Observations of Intervening O VI Absorption Line Systems in the Spectrum of PG 0953+415

    NASA Astrophysics Data System (ADS)

    Savage, B. D.; Sembach, K. R.; Tripp, T. M.; Richter, P.; Jenkins, E. B.

    2000-12-01

    We analyze Far Ultraviolet Spectroscopic Explorer (FUSE) and Space Telescope Imaging Spectrograph (STIS) observations of the intergalactic O VI absorption line systems in the direction of the bright QSO PG 0953+415 (z = 0.239). The FUSE observations cover the wavelength range from 905 to 1187 Å with a velocity resolution of 20 km/s. The STIS observations obtained with the E140M echelle spectrograph extend from 1150 to 1730 Å with a resolution of 8 km/s. These are supplemented with STIS G140M and G230M observations from 1145-1201 Å and from 1724-1814 A with a resolution of 30 km/s. We detect a strong O VI system at z = 0.06807 in the lines of H I Ly alpha, beta, and gamma, O VI 1031.93, 1037.62, N V 1238.80, 1242.80, C IV 1548.20, 1550.77, and C III 977.02 Å. We confirm the detection of the z = 0.14232 O VI system studied previously by Tripp and Savage (2000). The new FUSE observations of this system record Ly beta , O VI 1031.93, 1037.62, and C III 977.02 Å. We derive column densities for the absorption lines detected in both O VI systems using curve of growth and profile fitting techniques. We study the physical conditions in each system and attempt to determine the origin(s) of the ionization. Both detected O VI systems occur at redshifts where there are peaks in the number density of intervening galaxies along the line of sight based on a WIYN redshift survey of galaxies in the one degree field centered on PG 0953+415. We discuss the implications of these observations for the baryonic content of O VI absorption line systems. Financial support has been provided by NASA contract NAS-532985 and STSCI Grants GO 06499.02 and GO 08165.02.

  14. FE K EMISSION AND ABSORPTION FEATURES IN THE XMM-EPIC SPECTRUM OF THE SEYFERT GALAXY IC 4329A

    NASA Technical Reports Server (NTRS)

    Markowitz, A.; Reeves, J. N.; Braito, V.

    2001-01-01

    We present a re-analysis of the XMM-Newton long-look of the X-ray bright Seyfert galaxy IC 4329a. The Fe K bandpass is dominated by two peaks, consistent with emission from neutral or near-neutral Fe Ka and KP. A relativistic diskline model whereby both peaks are the result of one doubly-peaked diskline profile is found to be a poor description of the data. Models using two relativistic disklines are found to describe the emission profile well. A low-inclination, moderately-relativistic dual-diskline model is possible if the contribution from narrow components, due to distant material, is small or absent. A high-inclination, moderately relativistic profile for each peak is possible if there are roughly equal contributions from both the broad and narrow components. Upper limits on Fe XXV and Fe XXVI emission and absorption at the systemic velocity of IC 4329a are obtained. We also present the results of RXTE monitoring of this source obtained so far; the combined XMM-Newton and RXTE data sets allow us to explore the time-resolved spectral behavior of this source on time scales ranging from hours to 2 years. We find no strong evidence for variability of the Fe Ka emission line on any time scale probed, likely due to the minimal level of continuum variability. We detect a narrow absorption line, at a energy of 7.68 keV in the rest frame of the source; its significance has been confirmed using Monte Carlo simulations. This feature is most likely due to absorption from Fe XXVI blueshifted to approximately 0.1c relative to the systemic velocity, making IC 4329a the lowest-redshift AGN known with a high-velocity, highly-ionized outflow component. As is often the case with similar outflows seen in high-luminosity quasars, the estimated mass outflow rate is larger than the inflow accretion rate, signaling that the outflow represents a substantial portion of the total energy budget of the AGN. The outflow could arise from a radiatively-driven disk wind, or it may be in the

  15. Thermodynamic consequence of the new attribution of bands in the electronic absorption spectrum of electron donor-iodine-solvent systems

    NASA Astrophysics Data System (ADS)

    Abramov, Sergey P.

    1999-06-01

    The subject review pays attention to the peculiarities in behaviour of bands in the electronic absorption spectra of electron donor-iodine-solvent systems, the appearance of which is associated with the intermolecular interaction of molecular iodine with electron donor organic molecules. The new concept of the bands’ attribution to the isomeric equilibrium molecular charge-transfer complexes (CTCs) of CTC-I and CTC-II types is considered. The features of possible phase transitions in the solid state are discussed on the basis of the thermodynamic properties and electronic structures of the CTC-I and CTC-II in electron donor-iodine-solvent systems. The stabilisation of the CTC-II structure with the temperature lowering coincided in many cases with the electrons’ localisation in the solid state structures having charge-transfer bonds.

  16. An interpretation of the near-ultraviolet absorption spectrum of SO2 - Implications for Venus, Io, and laboratory measurements

    NASA Technical Reports Server (NTRS)

    Belton, M. J. S.

    1982-01-01

    Line characteristics of remotely sensed SO2 spectra near the UV are discussed, noting the implications for the interpretation of data gathered by the IUE of Io and ground-based and Pioneer spectra of Venus. It is shown that the ratio of mean line spacing to linewidth is greater than unity, and that fully resolved lines have features consistent with concepts of temperature and pressure broadening. The application of Beer's approximation for the absorption spectra of Venus and Io atmospheres is found to be incorrect. Further, the spectroscopic limit on the SO2 line data from Io observations by the IUE are interpreted as establishing a lower bound on the SO2 in the Io atmosphere. A greater concentration of SO2 in vapor equilibrium may be present in the lower atmosphere. Laboratory measurements to resolve the uncertainties regarding the UV spectroscopic data from Io and Venus are suggested.

  17. Discovery of a cyclotron absorption line in the spectrum of the binary X-ray pulsar 4U 1538 - 52 observed by Ginga

    NASA Technical Reports Server (NTRS)

    Clark, George W.; Woo, Jonathan W.; Nagase, Fumiaki; Makishima, Kazuo; Sakao, Taro

    1990-01-01

    A cyclotron absorption line near 20 keV has been found in the spectrum of the massive eclipsing binary X-ray pulsar 4U 1538 - 52 in observations with the Ginga observatory. The line is detected throughout the 529 s pulse cycle with a variable equivalent width that has its maximum value during the smaller peak of the two-peak pulse profile. It is found that the profile of the pulse and the phase-dependence of the cyclotron line can be explained qualitatively by a pulsar model based on recent theoretical results on the properties of pencil beams emitted by accretion-heated slabs of magnetized plasma at the magnetic poles of a neutron star. The indicated field at the surface of the neutron star is 1.7 (1 + z) x 10 to the 12th G, where z is the gravitational redshift.

  18. Vacuum-UV absorption spectrum of a laser-produced chromium plasma: 3p-subshell photoabsorption by Cr2+ ions

    NASA Astrophysics Data System (ADS)

    McGuinness, C.; Martins, M.; van Kampen, P.; Hirsch, J.; Kennedy, E. T.; Mosnier, J.-P.; Whitty, W. W.; Costello, J. T.

    2000-11-01

    The dual laser plasma photoabsorption technique has been used to measure the time-resolved vacuum-UV photoabsorption spectrum of a chromium plasma. Resonant photoabsorption cross sections, constructed with the aid of Hartree-Fock calculations, and weighted in accordance with the plasma temperature, have been used to produce the synthetic Cr2+ spectra. The relevant plasma temperature and ionization balance are obtained from simple analytical models for various times during the expansion phase of the plasma plume. The experimental spectra taken at delays of 32, 62 and 90 ns compare well with Cr2+ spectra computed for corresponding predicted temperatures. It is found that in order to produce synthetic spectra that match experiment well, it is necessary to take into account absorption from many states belonging to the Cr2+ ground state configuration 3p63d4, while states from the nearest metastable configuration 3p63p34s make a negligible contribution.

  19. The 5 f r arrow 6 d absorption spectrum of Pa sup 4+ /Cs sub 2 ZrCl sub 6

    SciTech Connect

    Edelstein, N.; Kot, W.K. ); Krupa, J. )

    1992-01-01

    The 5{ital f}{sup 1}{r arrow}6{ital d}{sup 1} absorption spectrum of {sup 231}Pa{sup 4+} diluted in a single crystal of Cs{sub 2}ZrCl{sub 6} has been measured at 4.2 K. Three bands corresponding to the 6{ital d}({Gamma}{sub 8{ital g}}, {Gamma}{sub 7{ital g}}, and {Gamma}{sup {prime}}{sub 8{ital g}} ) levels are assigned. Extensive vibronic structure has been observed for the lowest 5{ital f}{r arrow}6{ital d} transition and this structure is compared to that recently reported for the 6{ital d}{sup 1}{r arrow}5{ital f}{sup 1} emission spectra in the same system.

  20. A full-dimensional multilayer multiconfiguration time-dependent Hartree study on the ultraviolet absorption spectrum of formaldehyde oxide

    NASA Astrophysics Data System (ADS)

    Meng, Qingyong; Meyer, Hans-Dieter

    2014-09-01

    Employing the multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) method in conjunction with the multistate multimode vibronic coupling Hamiltonian (MMVCH) model, we perform a full dimensional (9D) quantum dynamical study on the simplest Criegee intermediate, formaldehyde oxide, in five lower-lying singlet electronic states. The ultraviolet (UV) spectrum is then simulated by a Fourier transform of the auto-correlation function. The MMVCH model is built based on extensive MRCI(8e,8o)/aug-cc-pVTZ calculations. To ensure a fast convergence of the final calculations, a large number of ML-MCTDH test calculations is performed to find an appropriate multilayer separations (ML-trees) of the ML-MCTDH nuclear wave functions, and the dynamical calculations are carefully checked to ensure that the calculations are well converged. To compare the computational efficiency, standard MCTDH simulations using the same Hamiltonian are also performed. A comparison of the MCTDH and ML-MCTDH calculations shows that even for the present not-too-large system (9D here) the ML-MCTDH calculations can save a considerable amount of computational resources while producing identical spectra as the MCTDH calculations. Furthermore, the present theoretical tilde{B}{}^1A^' }leftarrow tilde{X}{}^1A^' } UV spectral band and the corresponding experimental measurements [J. M. Beames, F. Liu, L. Lu, and M. I. Lester, J. Am. Chem. Soc. 134, 20045-20048 (2012); L. Sheps, J. Phys. Chem. Lett. 4, 4201-4205 (2013); W.-L. Ting, Y.-H. Chen, W. Chao, M. C. Smith, and J. J.-M. Lin, Phys. Chem. Chem. Phys. 16, 10438-10443 (2014)] are discussed. To the best of our knowledge, this is the first theoretical UV spectrum simulated for this molecule including nuclear motion beyond an adiabatic harmonic approximation.

  1. A full-dimensional multilayer multiconfiguration time-dependent Hartree study on the ultraviolet absorption spectrum of formaldehyde oxide

    SciTech Connect

    Meng, Qingyong; Meyer, Hans-Dieter

    2014-09-28

    Employing the multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) method in conjunction with the multistate multimode vibronic coupling Hamiltonian (MMVCH) model, we perform a full dimensional (9D) quantum dynamical study on the simplest Criegee intermediate, formaldehyde oxide, in five lower-lying singlet electronic states. The ultraviolet (UV) spectrum is then simulated by a Fourier transform of the auto-correlation function. The MMVCH model is built based on extensive MRCI(8e,8o)/aug-cc-pVTZ calculations. To ensure a fast convergence of the final calculations, a large number of ML-MCTDH test calculations is performed to find an appropriate multilayer separations (ML-trees) of the ML-MCTDH nuclear wave functions, and the dynamical calculations are carefully checked to ensure that the calculations are well converged. To compare the computational efficiency, standard MCTDH simulations using the same Hamiltonian are also performed. A comparison of the MCTDH and ML-MCTDH calculations shows that even for the present not-too-large system (9D here) the ML-MCTDH calculations can save a considerable amount of computational resources while producing identical spectra as the MCTDH calculations. Furthermore, the present theoretical B{sup ~} {sup 1}A{sup ′}←X{sup ~} {sup 1}A{sup ′} UV spectral band and the corresponding experimental measurements [J. M. Beames, F. Liu, L. Lu, and M. I. Lester, J. Am. Chem. Soc. 134, 20045–20048 (2012); L. Sheps, J. Phys. Chem. Lett. 4, 4201–4205 (2013); W.-L. Ting, Y.-H. Chen, W. Chao, M. C. Smith, and J. J.-M. Lin, Phys. Chem. Chem. Phys. 16, 10438–10443 (2014)] are discussed. To the best of our knowledge, this is the first theoretical UV spectrum simulated for this molecule including nuclear motion beyond an adiabatic harmonic approximation.

  2. Brief Report: Phenotypic Differences and their Relationship to Paternal Age and Gender in Autism Spectrum Disorder.

    PubMed

    Vierck, Esther; Silverman, Jeremy M

    2015-06-01

    Two modes of inheritance have been proposed in autism spectrum disorder, transmission though pre-existing variants and de novo mutations. Different modes may lead to different symptom expressions in affected individuals. De novo mutations become more likely with advancing paternal age suggesting that paternal age may predict phenotypic differences. To test this possibility we measured IQ, adaptive behavior, and autistic symptoms in 830 probands from simplex families. We conducted multiple linear regression analysis to estimate the predictive value of paternal age, maternal age, and gender on behavioral measures and IQ. We found a differential effect of parental age and sex on repetitive and restricted behaviors. Findings suggest effects of paternal age on phenotypic differences in simplex families with ASD.

  3. Gender differences among children with autism spectrum disorder: differential symptom patterns.

    PubMed

    Baker, Sidney M; Milivojevich, Andrew

    2013-11-01

    The gender ratio among children in the autism spectrum of more than four boys to every girl is widely recognized. The authors present an analysis of gender differences among 79 482 symptoms and strengths in 1495 boys and 336 girls aged 2 to 18 years from parent-identified autistic children reported to a structurally novel anonymous parent-entered online database, Autism360. The data reveal differences that provide previously undetected clues to gender differences in immune and central nervous system and gastrointestinal functional disturbances. Together with published observations of male/female differences in inflammation, oxidative stress, and detoxication, these findings open doors to research focusing on gender physiology as clues to etiologic factors in autism. This study exemplifies a research method based on a large, detailed, patient-entered, structured data set in which patterns of individual illness and healing may answer collective questions about prevention and treatment.

  4. An Fe XXIV Absorption Line in the Persistent Spectrum of the Dipping Low-Mass X-Ray Binary 1A 1744-361

    NASA Technical Reports Server (NTRS)

    Gavriil, Fotis P.; Strohmayer, Tod E.; Bhattacharyya, Sudip

    2012-01-01

    We report on Chandra X-ray Observatory (Chandra) High Energy Transmission Grating spectra of the dipping low-mass X-ray binary 1A 1744-361 during its 2008 July outburst. We find that its persistent emission is well modeled by a blackbody (kT approx. 1.0 keV) plus power law (Gamma approx. 1.7) with an absorption edge. In the residuals of the combined spectrum, we find a significant absorption line at 6.961 +/- 0.002 keV, consistent with the Fe xxvi (hydrogen-like Fe) 2-1 transition.We place an upper limit on the velocity of a redshifted flow of nu < 221 km/s. We find an equivalent width for the line of 27+2/-3 eV, from which we determine a column density of (7 +/- 1)×10(exp 17) /sq. cm via a curve-of-growth analysis. Using XSTAR simulations, we place a lower limit on the ionization parameter of >103.6 erg cm/s. We discuss what implications the feature has on the system and its geometry. We also present Rossi X-ray Timing Explorer data accumulated during this latest outburst and, via an updated color-color diagram, clearly show that 1A 1744-361 is an "atoll" source

  5. Probing Lewis Acid-Base Interactions with Born-Oppenheimer Molecular Dynamics: The Electronic Absorption Spectrum of p-Nitroaniline in Supercritical CO2.

    PubMed

    Cabral, Benedito J Costa; Rivelino, Roberto; Coutinho, Kaline; Canuto, Sylvio

    2015-07-02

    The structure and dynamics of p-nitroaniline (PNA) in supercritical CO2 (scCO2) at T = 315 K and ρ = 0.81 g cm(-3) are investigated by carrying out Born-Oppenheimer molecular dynamics, and the electronic absorption spectrum in scCO2 is determined by time dependent density functional theory. The structure of the PNA-scCO2 solution illustrates the role played by Lewis acid-base (LA-LB) interactions. In comparison with isolated PNA, the ν(N-O) symmetric and asymmetric stretching modes of PNA in scCO2 are red-shifted by -17 and -29 cm(-1), respectively. The maximum of the charge transfer (CT) absorption band of PNA in scSCO2 is at 3.9 eV, and the predicted red-shift of the π → π* electronic transition relative to the isolated gas-phase PNA molecule reproduces the experimental value of -0.35 eV. An analysis of the relationship between geometry distortions and excitation energies of PNA in scCO2 shows that the π → π* CT transition is very sensitive to changes of the N-O bond distance, strongly indicating a correlation between vibrational and electronic solvatochromism driven by LA-LB interactions. Despite the importance of LA-LB interactions to explain the solvation of PNA in scCO2, the red-shift of the CT band is mainly determined by electrostatic interactions.

  6. Cavity Ringdown Absorption Spectrum of the T_1(n,π*) ← S_0 Transition of Acrolein: Analysis of the 0^0_0 Band Rotational Contour

    NASA Astrophysics Data System (ADS)

    Hlavacek, Nikolaus C.; McAnally, Michael O.; Drucker, Stephen

    2012-06-01

    Acrolein (propenal, CH_2=CH---CH=O) is the simplest conjugated enal molecule and serves as a prototype for investigating the photochemical properties of larger enals and enones. Acrolein has a coplanar arrangement of heavy atoms in its ground electronic state. Much of the photochemistry is mediated by the T_1(π,π*) state, which has a CH_2--twisted equilibrium structure. In solution, the T_1(π,π*) state is typically accessed via intersystem crossing from an intially prepared planar S_1(n,π*) state. An intermediate in this photophysical transformation is the lowest ^3 (n,π*) state, a planar species with adiabatic excitation energy below S_1 and above T_1(π,π*). The present work focuses on this ^3 (n,π*) intermediate state; it is designated T_1(n,π*) as the lowest-energy triplet state of acrolein having a planar equilibrium structure. The T_1(n,π*) ← S_0 band system, with origin near 412 nm, was first recorded in the 1970s at medium (0.5 cm-1) resolution using a long-path absorption cell. Here we report the cavity ringdown spectrum of the 0^0_0 band, recorded using a pulsed dye laser with 0.1 cm-1 spectral bandwidth. The spectrum was measured under both bulk-gas (room-temperature) and jet-cooled conditions. The band contour in each spectrum was analyzed by using a computer program developed for simulating and fitting the rotational structure of singlet-triplet transitions. The assignment of several resolved sub-band heads in the room-temperature spectrum permitted approximate fitting of the inertial constants for the T_1(n,π*) state. The determined values (cm-1) are A=1.662, B=0.1485, C=0.1363. For the parameters A and (B+C)/2, estimated uncertainties of ± 0.003 cm-1 and ± 0.0004 cm-1, respectively, correspond to a range of values that produce qualitatively satisfactory global agreement with the observed room-temperature contour. The fitted inertial constants were used to simulate the rotational contour of the 0^0_0 band under jet-cooled conditions

  7. The Cantor SET’S Multi-Fractal Spectrum Formed by Different Probability Factors in Mathematical Experiment

    NASA Astrophysics Data System (ADS)

    Pan, Xuezai; Shang, Xudong; Wang, Minggang; Zuo-Fei

    With the purpose of researching the changing regularities of the Cantor set’s multi-fractal spectrums and generalized fractal dimensions under different probability factors, from statistical physics, the Cantor set is given a mass distribution, when the mass is given with different probability ratios, the different multi-fractal spectrums and the generalized fractal dimensions will be acquired by computer calculation. The following conclusions can be acquired. On one hand, the maximal width of the multi-fractal spectrum and the maximal vertical height of the generalized fractal dimension will become more and more narrow with getting two probability factors closer and closer. On the other hand, when two probability factors are equal to 1/2, both the multi-fractal spectrum and the generalized fractal dimension focus on the value 0.6309, which is not the value of the physical multi-fractal spectrum and the generalized fractal dimension but the mathematical Hausdorff dimension.

  8. Ultra-wideband microwave absorber by connecting multiple absorption bands of two different-sized hyperbolic metamaterial waveguide arrays

    PubMed Central

    Yin, Xiang; Long, Chang; Li, Junhao; Zhu, Hua; Chen, Lin; Guan, Jianguo; Li, Xun

    2015-01-01

    Microwave absorbers have important applications in various areas including stealth, camouflage, and antenna. Here, we have designed an ultra-broadband light absorber by integrating two different-sized tapered hyperbolic metamaterial (HMM) waveguides, each of which has wide but different absorption bands due to broadband slow-light response, into a unit cell. Both the numerical and experimental results demonstrate that in such a design strategy, the low absorption bands between high absorption bands with a single-sized tapered HMM waveguide array can be effectively eliminated, resulting in a largely expanded absorption bandwidth ranging from 2.3 to 40 GHz. The presented ultra-broadband light absorber is also insensitive to polarization and robust against incident angle. Our results offer a further step in developing practical artificial electromagnetic absorbers, which will impact a broad range of applications at microwave frequencies. PMID:26477740

  9. Ultra-wideband microwave absorber by connecting multiple absorption bands of two different-sized hyperbolic metamaterial waveguide arrays

    NASA Astrophysics Data System (ADS)

    Yin, Xiang; Long, Chang; Li, Junhao; Zhu, Hua; Chen, Lin; Guan, Jianguo; Li, Xun

    2015-10-01

    Microwave absorbers have important applications in various areas including stealth, camouflage, and antenna. Here, we have designed an ultra-broadband light absorber by integrating two different-sized tapered hyperbolic metamaterial (HMM) waveguides, each of which has wide but different absorption bands due to broadband slow-light response, into a unit cell. Both the numerical and experimental results demonstrate that in such a design strategy, the low absorption bands between high absorption bands with a single-sized tapered HMM waveguide array can be effectively eliminated, resulting in a largely expanded absorption bandwidth ranging from 2.3 to 40 GHz. The presented ultra-broadband light absorber is also insensitive to polarization and robust against incident angle. Our results offer a further step in developing practical artificial electromagnetic absorbers, which will impact a broad range of applications at microwave frequencies.

  10. VizieR Online Data Catalog: Differences of atlases of solar spectrum (Doerr+, 2016)

    NASA Astrophysics Data System (ADS)

    Doerr, H.-P.; Vitas, N.; Fabbian, D.

    2016-04-01

    A parametrically degraded version of the Hamburg spectrum was fitted to the Liege spectrum. The parameters of the model (wavelength shift, broadening, intensity scaling, intensity offset) represent the different characteristics of the respective instruments, observational strategies, and data processing. The fits were carried out for all identified solar lines in the line list provided by Pierce and Breckinridge (1973, The Kitt-Peak Table of Solar Spectrum Wavelengths, Vol. Contribution No. 559 (Kitt Peak National Observatory); hereafter PB73) for an interval of ±15pm around the line cores. From an initial testrun we found that the offset parameter (stray-light) is compatible with zero. The final fits were carried out with only three free parameters. The results from that run are provided in the file 'fitres.dat'. A second file (liegepar.dat) contains derived parameters (spectral resolving power, position of the continuum) for the Liege spectrum that can be used in studies that compare Liege data to other data (e.g. synthetic spectra). For instance, synthetic spectra have to be degraded to match the spectral resolving power of the Liege spectrum for a valid comparison. Our analysis showed that a Gaussian convolution kernel with a full-width at half-maximum (FWHM) of lambda/R (lambda: wavelength; R: spectral resolving power) is a very good approximation to the actual instrumental profile of the Liege atlas. Likewise, the continuum of the Liege atlas at a particular wavelength can be matched to the continuum of the Hamburg atlas by division with the parameter 'C' from liegepar.dat. The correction parameters in liegepar.dat should be interpolated to the desired wavelength range before being applied in any data analysis. We want to stress that the parameters provided here result from the fitting-procedure as described in the paper, with no further consistency checks or corrections applied. Some fits are affected by nearby telluric blends. We recommend to apply an

  11. RF Path and Absorption Loss Estimation for Underwater Wireless Sensor Networks in Different Water Environments

    PubMed Central

    Qureshi, Umair Mujtaba; Shaikh, Faisal Karim; Aziz, Zuneera; Shah, Syed M. Zafi S.; Sheikh, Adil A.; Felemban, Emad; Qaisar, Saad Bin

    2016-01-01

    Underwater Wireless Sensor Network (UWSN) communication at high frequencies is extremely challenging. The intricacies presented by the underwater environment are far more compared to the terrestrial environment. The prime reason for such intricacies are the physical characteristics of the underwater environment that have a big impact on electromagnetic (EM) signals. Acoustics signals are by far the most preferred choice for underwater wireless communication. Because high frequency signals have the luxury of large bandwidth (BW) at shorter distances, high frequency EM signals cannot penetrate and propagate deep in underwater environments. The EM properties of water tend to resist their propagation and cause severe attenuation. Accordingly, there are two questions that need to be addressed for underwater environment, first what happens when high frequency EM signals operating at 2.4 GHz are used for communication, and second which factors affect the most to high frequency EM signals. To answer these questions, we present real-time experiments conducted at 2.4 GHz in terrestrial and underwater (fresh water) environments. The obtained results helped in studying the physical characteristics (i.e., EM properties, propagation and absorption loss) of underwater environments. It is observed that high frequency EM signals can propagate in fresh water at a shallow depth only and can be considered for a specific class of applications such as water sports. Furthermore, path loss, velocity of propagation, absorption loss and the rate of signal loss in different underwater environments are also calculated and presented in order to understand why EM signals cannot propagate in sea water and oceanic water environments. An optimal solk6ution for underwater communication in terms of coverage distance, bandwidth and nature of communication is presented, along with possible underwater applications of UWSNs at 2.4 GHz. PMID:27322263

  12. Cycloid psychoses in the psychosis spectrum: evidence for biochemical differences with schizophrenia

    PubMed Central

    van de Kerkhof, Nora WA; Fekkes, Durk; van der Heijden, Frank MMA; Hoogendijk, Witte JG; Stöber, Gerald; Egger, Jos IM; Verhoeven, Willem MA

    2016-01-01

    Cycloid psychoses (CP) differ from schizophrenia regarding symptom profile, course, and prognosis and over many decades they were thought to be a separate entity within the psychosis spectrum. As to schizophrenia, research into the pathophysiology has focused on dopamine, brain-derived neurotrophic factor, and glutamate signaling in which, concerning the latter, the N-methyl-d-aspartate receptor plays a crucial role. The present study aims to determine whether CP can biochemically be delineated from schizophrenia. Eighty patients referred for psychotic disorders were assessed with the Comprehensive Assessment of Symptoms and History, and (both at inclusion and after 6 weeks of antipsychotic treatment) with the Positive and Negative Syndrome Scale and Clinical Global Impression. From 58 completers, 33 patients were diagnosed with schizophrenia and ten with CP according to the Diagnostic and Statistical Manual of Mental Disorders, Fourth Edition, and Leonhard criteria, respectively. Fifteen patients were diagnosed with other disorders within the psychosis spectrum. At both time points, blood levels of the dopamine metabolite homovanillic acid, brain-derived neurotrophic factor, and amino acids related to glutamate neurotransmission were measured and compared with a matched control sample. Patients with CP showed a significantly better response to antipsychotic treatment as compared to patients with schizophrenia. In CP, glycine levels were elevated and tryptophan levels were lowered as compared to schizophrenia. Glutamate levels were increased in both patient groups as compared to controls. These results, showing marked differences in both treatment outcome and glutamate-related variable parameters, may point at better neuroplasticity in CP, necessitating demarcation of this subgroup within the psychosis spectrum. PMID:27536115

  13. Radiation absorption in different kinds of tissue analysis: ex vivo study with supercontinuum laser source

    NASA Astrophysics Data System (ADS)

    Fornaini, Carlo; Merigo, Elisabetta; Selleri, Stefano; Cucinotta, Annamaria

    2016-03-01

    With the introduction of more and more new wavelengths, one of the main problems of medical laser users was centered on the study of laser-tissue interactions with the aim of determining the ideal wavelength for their treatments. The aim of this ex vivo study was to determine, by means of the utilization of a supercontinuum source, the amount of transmitted energy of different wavelengths in different organ samples obtained by Sprague Dawley rats. Supercontinuum light is generated by exploiting high optical non-linearity in a material and it combines the broadband attributes of a lamp with the spatial coherence and high brightness of laser. Even if the single transmission measurement does not allow us to separate out the respective contribution of scattering and absorption, it gives us an evaluation of the wavelengths not interacting with the tissue. In this way, being possible to determine what of the laser wavelengths are not useful or active in the different kinds of tissue, physicians may choose the proper device for his clinical treatments.

  14. The rubber hand illusion reveals proprioceptive and sensorimotor differences in autism spectrum disorders.

    PubMed

    Paton, Bryan; Hohwy, Jakob; Enticott, Peter G

    2012-09-01

    Autism spectrum disorder (ASD) is characterised by differences in unimodal and multimodal sensory and proprioceptive processing, with complex biases towards local over global processing. Many of these elements are implicated in versions of the rubber hand illusion (RHI), which were therefore studied in high-functioning individuals with ASD and a typically developing control group. Both groups experienced the illusion. A number of differences were found, related to proprioception and sensorimotor processes. The ASD group showed reduced sensitivity to visuotactile-proprioceptive discrepancy but more accurate proprioception. This group also differed on acceleration in subsequent reach trials. Results are discussed in terms of weak top-down integration and precision-accuracy trade-offs. The RHI appears to be a useful tool for investigating multisensory processing in ASD.

  15. Optical absorption of silicon nanowires

    SciTech Connect

    Xu, T.; Lambert, Y.; Krzeminski, C.; Grandidier, B.; Stievenard, D.; Leveque, G.; Akjouj, A.; Pennec, Y.; Djafari-Rouhani, B.

    2012-08-01

    We report on simulations and measurements of the optical absorption of silicon nanowires (NWs) versus their diameter. We first address the simulation of the optical absorption based on two different theoretical methods: the first one, based on the Green function formalism, is useful to calculate the scattering and absorption properties of a single or a finite set of NWs. The second one, based on the finite difference time domain (FDTD) method, is well-adapted to deal with a periodic set of NWs. In both cases, an increase of the onset energy for the absorption is found with increasing diameter. Such effect is experimentally illustrated, when photoconductivity measurements are performed on single tapered Si nanowires connected between a set of several electrodes. An increase of the nanowire diameter reveals a spectral shift of the photocurrent intensity peak towards lower photon energies that allow to tune the absorption onset from the ultraviolet radiations to the visible light spectrum.

  16. The chronic obstructive pulmonary disease comorbidity spectrum in Japan differs from that in western countries.

    PubMed

    Takahashi, Saeko; Betsuyaku, Tomoko

    2015-11-01

    Patients with Chronic Obstructive Pulmonary Disease (COPD) frequently suffer from various comorbidities, such as cardiovascular disease, osteoporosis, depression, malnutrition, metabolic syndrome, diabetes, and lung cancer. These comorbidities have a significant impact on disease severity and survival. In fact, guidelines from both the Global Initiative for Chronic Obstructive Lung Disease and the Japanese Respiratory Society recommend that physicians take comorbidities into account when they evaluate COPD severity. These guidelines also emphasize the importance of managing comorbidities alongside airway obstruction in COPD. The mechanisms by which the many COPD-related comorbidities develop are still unclear. Aging and smoking are well-established as major factors. However, systemic inflammation may also contribute to the disease process. Having developed from the classical theory to differentiate COPD patients into "pink puffers" and "blue bloaters", COPD is now generally considered as a heterogeneous condition. On this point, we have noticed that the characteristics of Japanese COPD patients tend to differ from those of Westerners. Specifically, Japanese patients tend to be older, to have lower body mass index, to suffer from emphysema-dominant lung disease, and to experience exacerbations less frequently. The comorbidity spectrum of Japanese COPD patients also seems to differ from that of Westerners. For instance, in Japanese patients, cardiovascular disease and metabolic syndrome are less prevalent, whereas osteoporosis and malnutrition are more frequent. In order to treat Japanese COPD patients optimally, we must pay particular attention to their unique demographics and comorbidity spectrum, which contrast with those of Western COPD patients.

  17. Calcium: effect of different amounts on nonheme- and heme-iron absorption in humans.

    PubMed

    Hallberg, L; Brune, M; Erlandsson, M; Sandberg, A S; Rossander-Hultén, L

    1991-01-01

    We investigated the effect of calcium on iron absorption in 126 human subjects. Addition of calcium chloride to wheat rolls significantly reduced iron absorption. Doses between 40 and 600 mg Ca were studied. The inhibition was clearly dose related up to 300 mg Ca. Calcium added to the dough when making the rolls reduced phytate degradation during fermentation and baking. As little as 40 mg Ca added to 80 g flour reduced phytate degradation by 50%, thus increasing the phytate content of the rolls to levels interfering with iron absorption. Calcium also had a direct dose-related inhibiting effect on iron absorption, noted by adding calcium to the rolls after they had been baked instead of to the dough. Iron absorption was reduced by 50-60% at doses of 300-600 mg Ca. Giving 165 mg Ca as milk, cheese, or calcium chloride reduced absorption by 50-60%. The same amount of calcium also significantly reduced heme-iron absorption, suggesting that the effect of calcium is related to the mucosal transfer of iron. The observed marked inhibitory effect on iron absorption of calcium in amounts frequently encountered in normal meals has important nutritional implications.

  18. How different are the Liège and Hamburg atlases of the solar spectrum?

    NASA Astrophysics Data System (ADS)

    Doerr, H.-P.; Vitas, N.; Fabbian, D.

    2016-05-01

    Context. The high-fidelity solar spectral atlas prepared by http://adsabs.harvard.edu/abs/1973apds.book.....D Delbouille et al. (Liège atlas, 1973) and the atlas by http://adsabs.harvard.edu/abs/1999SoPh..184..421N Neckel (Hamburg atlas, 1999, Sol. Phys., 184, 421) are widely recognised as the most important collection of reference spectra of the Sun at disc centre in the visible wavelength range. The two datasets serve as fundamental resources for many researchers, in particular for chemical abundance analyses. But despite their similar published specifications (spectral resolution and noise level), the shapes of the spectral lines in the two atlases differ significantly and systematically. Aims: Knowledge of any instrumental degradations is imperative to fully exploit the information content of spectroscopic data. We seek to investigate the magnitude of these differences and explain the possible sources. We provide the wavelength-dependent correction parameters that need to be taken into account when the spectra are to be compared with synthetic data, for instance. Methods: A parametrically degraded version of the Hamburg spectrum was fitted to the Liège spectrum. The parameters of the model (wavelength shift, broadening, intensity scaling, and intensity offset) represent the different characteristics of the respective instruments, observational strategies, and data processing. Results: The wavelength scales of the Liège and Hamburg atlases differ on average by 0.5 mÅ with a standard deviation of ± 2 mÅ, except for a peculiar region around 5500 Å. The continuum levels are offset by up to 18% below 5000 Å, but remain stably at a 0.8% difference towards the red. We find no evidence for spectral stray light in the Liège spectrum. Its resolving power is almost independent of wavelength but limited to about 216 000, which is between two to six times lower than specified. When accounting for the degradations determined in this work, the spectra of the two

  19. Light pollution in ultraviolet and visible spectrum: effect on different visual perceptions.

    PubMed

    Solano Lamphar, Héctor Antonio; Kocifaj, Miroslav

    2013-01-01

    In general terms, lighting research has been focused in the development of artificial light with the purpose of saving energy and having more durable lamps. However, the consequences that artificial night lighting could bring to the human being and living organisms have become an important issue recently. Light pollution represents a significant problem to both the environment and human health causing a disruption of biological rhythms related not only to the visible spectrum, but also to other parts of the electromagnetic spectrum. Since the lamps emit across a wide range of the electromagnetic spectrum, all photobiological species may be exposed to another type of light pollution. By comparing five different lamps, the present study attempts to evaluate UV radiative fluxes relative to what humans and two species of insects perceive as sky glow level. We have analyzed three atmospheric situations: clear sky, overcast sky and evolving precipitable water content. One important finding suggests that when a constant illuminance of urban spaces has to be guaranteed the sky glow from the low pressure sodium lamps has the most significant effect to the visual perception of the insects tested. But having the fixed number of luminaires the situation changes and the low pressure sodium lamp would be the best choice for all three species. The sky glow effects can be interpreted correctly only if the lamp types and the required amount of scotopic luxes at the ground are taken into account simultaneously. If these two factors are combined properly, then the ecological consequences of sky glow can be partly reduced. The results of this research may be equally useful for lighting engineers, architects, biologists and researchers who are studying the effects of sky glow on humans and biodiversity.

  20. Light Pollution in Ultraviolet and Visible Spectrum: Effect on Different Visual Perceptions

    PubMed Central

    Solano Lamphar, Héctor Antonio; Kocifaj, Miroslav

    2013-01-01

    In general terms, lighting research has been focused in the development of artificial light with the purpose of saving energy and having more durable lamps. However, the consequences that artificial night lighting could bring to the human being and living organisms have become an important issue recently. Light pollution represents a significant problem to both the environment and human health causing a disruption of biological rhythms related not only to the visible spectrum, but also to other parts of the electromagnetic spectrum. Since the lamps emit across a wide range of the electromagnetic spectrum, all photobiological species may be exposed to another type of light pollution. By comparing five different lamps, the present study attempts to evaluate UV radiative fluxes relative to what humans and two species of insects perceive as sky glow level. We have analyzed three atmospheric situations: clear sky, overcast sky and evolving precipitable water content. One important finding suggests that when a constant illuminance of urban spaces has to be guaranteed the sky glow from the low pressure sodium lamps has the most significant effect to the visual perception of the insects tested. But having the fixed number of luminaires the situation changes and the low pressure sodium lamp would be the best choice for all three species. The sky glow effects can be interpreted correctly only if the lamp types and the required amount of scotopic luxes at the ground are taken into account simultaneously. If these two factors are combined properly, then the ecological consequences of sky glow can be partly reduced. The results of this research may be equally useful for lighting engineers, architects, biologists and researchers who are studying the effects of sky glow on humans and biodiversity. PMID:23441205

  1. Single stimulus fMRI produces a neural individual difference measure for Autism Spectrum Disorder.

    PubMed

    Lu, James; Kishida, Ken; De Asis Cruz, Josepheen; Lohrenz, Terry; Deering, Diane Treadwell; Beauchamp, Michael; Montague, P Read

    2015-05-01

    Functional magnetic resonance imaging typically makes inferences about neural substrates of cognitive phenomena at the group level. We report the use of a single-stimulus BOLD response in the cingulate cortex that differentiates individual children with autism spectrum disorder from matched typically developing control children with sensitivity and specificity of 63.6% and 73.7% respectively. The approach consists of passive viewing of 'self' and 'other' faces from which an individual difference measure is derived from the BOLD response to the first 'self' image only; the method, penalized logistic regression, requires no averaging over stimulus presentations or individuals. These findings show that single-stimulus fMRI responses can be extracted from individual subjects and used profitably as a neural individual difference measure. The result suggests that single-stimulus fMRI can be developed to produce quantitative neural biomarkers for other developmental disorders and may even be useful in the rapid typing of cognition in healthy individuals.

  2. The Moral Stereotypes of Liberals and Conservatives: Exaggeration of Differences across the Political Spectrum

    PubMed Central

    Graham, Jesse; Nosek, Brian A.; Haidt, Jonathan

    2012-01-01

    We investigated the moral stereotypes political liberals and conservatives have of themselves and each other. In reality, liberals endorse the individual-focused moral concerns of compassion and fairness more than conservatives do, and conservatives endorse the group-focused moral concerns of ingroup loyalty, respect for authorities and traditions, and physical/spiritual purity more than liberals do. 2,212 U.S. participants filled out the Moral Foundations Questionnaire with their own answers, or as a typical liberal or conservative would answer. Across the political spectrum, moral stereotypes about “typical” liberals and conservatives correctly reflected the direction of actual differences in foundation endorsement but exaggerated the magnitude of these differences. Contrary to common theories of stereotyping, the moral stereotypes were not simple underestimations of the political outgroup's morality. Both liberals and conservatives exaggerated the ideological extremity of moral concerns for the ingroup as well as the outgroup. Liberals were least accurate about both groups. PMID:23251357

  3. Differences in absorption, distribution, metabolism and excretion of xenobiotics between the paediatric and adult populations.

    PubMed

    Strolin Benedetti, M; Whomsley, R; Baltes, E L

    2005-10-01

    In children, the therapeutic benefits and potential risks associated with drug treatment may be different from those in adults and will depend on the exposure, receptor sensitivity and relationship between effect and exposure. In this paper, key factors undergoing maturational changes accounting for differences in drug metabolism and disposition in the paediatric population compared with adults are reviewed. Gastric and duodenal pH, gastric emptying time, intestinal transit time, secretion and activity of bile and pancreatic fluid, bacterial colonisation and transporters, such as P-glycoprotein (P-gp), are important factors for drug absorption, whereas key factors explaining differences in drug distribution between the paediatric population and adults are organ size, membrane permeability, plasma protein concentration and characteristics, endogenous substances in plasma, total body and extracellular water, fat content, regional blood flow and transporters such as P-gp, which is present not only in the gut, but also in liver, kidney, brain and other tissues. As far as drug metabolism is concerned, important differences have been found in the paediatric population compared with adults both for phase I enzymes (oxidative [e.g., cytochrome P450 (CYP)1A2, and CYP3A7 versus -3A4], reductive and hydrolytic enzymes) and phase II enzymes (e.g., N-methyltransferases and glucuronosyltransferases). Generally, the major enzyme differences observed in comparison with the adult age are in newborn infants, although for some enzymes (e.g., glucuronosyltransferases and other phase II enzymes) important differences still exist between infants and toddlers and adults. Finally, key factors undergoing maturational changes accounting for differences in renal excretion in the paediatric population compared with adults are glomerular filtration and tubular secretion. The ranking of the key factors varies according to the chemical structure and physicochemical properties of the drug

  4. Comparison of different fluorescence spectrum analysis techniques to characterize humification levels of waste-derived dissolved organic matter.

    PubMed

    Shao, L M; Zhang, C Y; He, P J; Lü, F

    2012-12-01

    In the present work, the humification level of waste-derived dissolved organic matter (DOM) at different waste biostability was investigated, by using fluorescent excitation-emission matrix (EEM) scanning. Different fluorescence spectrum analysis techniques were applied and compared. Experimental results demonstrate that parallel factor (PARAFAC) analysis was sensitive to reflect DOM humification, and the most reasonable to deconstruct DOM compositions, when compared with other spectrum analysis techniques. It suggests applying the DOM-EEM-PARAFAC pipeline for rapid estimation of waste biostability.

  5. [Effects of different nitrogen forms and their ratios on broccoli yield, quality, and nutrient absorption].

    PubMed

    Liu, Zhao-Fan; Zhang, Guo-Bin; Yu, Ji-Hua; Yang, Hai-Xing; Shi, Gui-Ying; Ma, Yan-Xia; Li, Jie

    2013-07-01

    A field experiment was conducted to study the effects of different nitrogen forms ((NH2)2CO-N, NO(3-)-N, NH(4+)-N, and NO(3-)-NH4+) and their ratios on the yield formation, quality, and nutrient (N, P, and K) absorption of broccoli (Brassica oleracea). Fertilization with NO(3-)-N increased the accumulation of nitrate and soluble sugars in ball flower. When the NO(3-)-N: NH(4+)-N ratio was ranged from 3:7 to 5:5 and from 5:5 to 7:3, respectively, the accumulation of nitrate in the ball flower was reduced, while the soluble sugars content was promoted. Fertilization with (NH2)2CO-N and NH(4+)-N was conducive to the improvement of Vc content in the ball flower. N fertilization increased the accumulation of N, P, and K in plants, with the highest contents of N, P, and K observed at rosette stage. Throughout the entire growth period, NH(4+)-N fertilization improved the plant N content, whereas NO(3-)-N fertilization improved the plant K content. At different growth stages, the effects of different N sources on plant P content varied. As compared with applying single N forms, the NO(3-)-N:NH(4+)-N ratio ranged from 3:7 to 5:5 could improve the yield significantly. It was suggested that a combined application of NO(3-)-N and NH(4+)-N with an appropriate ratio could improve the productivity, quality, and economic return of broccoli.

  6. Time-resolved contrast function and optical characterization of spatially varying absorptive inclusions at different depths in diffusing media.

    PubMed

    De Nicola, S; Esposito, R; Lepore, M; Indovina, P L

    2004-03-01

    The role of a spatially varying absorptive inhomogeneity located at different depths within a turbid material has been investigated. This inhomogeneity has been characterized by a spatially dependent Gaussian distribution of its absorption coefficient. The present study has been performed calculating the time-resolved contrast function in the framework of the first-order perturbative approach to the diffusion equation for a slab geometry and a coaxial measurement scheme. The model has allowed us to take into account different locations of the inclusion along the source-detector axis. The accuracy of time-resolved contrast predictions has been analyzed through comparisons with results of the finite element method that has been used to numerically solve the diffusion equation. Recovery of the absorption perturbation parameter of the inhomogeneity for different axial positions has also been investigated.

  7. Iron absorption differs in piglets fed extrinsically and intrinsically 59Fe-labeled sow's milk.

    PubMed

    Gislason, J; Jones, B; Lönnerdal, B; Hambraeus, L

    1992-06-01

    Iron bioavailability from species-specific milk is assumed to be high for the offspring, possibly due to species-specific iron-binding proteins in the milk. To assess this bioavailability using radioisotopes, the validity of extrinsic labeling technique needs to be proven. Using the suckling piglet as an animal model, we have compared iron bioavailability from sow's milk labeled extrinsically and intrinsically. During intrinsic labeling transfer into milk of 59Fe given intramuscularly was slow and was found to be at maximum 14 h post-injection. Recovery of isotope in the milk was only 0.00014%. Extrinsic and intrinsic labels were distributed differently among milk fractions; intrinsic iron bound primarily to the fat fraction but the extrinsic iron bound primarily to the casein fraction. Iron retention from intrinsically labeled milk was considerably higher than from extrinsically labeled milk. These results show that the extrinsic tag method is not valid for studies on iron absorption from sow's milk and suggest that the situation may be the same for human milk.

  8. Determination of iodine via the spectrum of barium mono-iodide using high-resolution continuum source molecular absorption spectrometry in a graphite furnace

    NASA Astrophysics Data System (ADS)

    Huang, Mao Dong; Becker-Ross, Helmut; Florek, Stefan; Okruss, Michael; Welz, Bernhard; Morés, Silvane

    2009-07-01

    Molecular absorption spectra of the diatomic molecules AlI, GaI, InI, TlI, MgI, CaI, SrI and BaI, generated in a graphite furnace, were studied using a high-resolution echelle spectrometer with the aim of finding a simple, reliable and sensitive analytical method for the determination of iodine. Among them, the barium mono-iodide (BaI) was found to have the strongest absorption bands around 538 nm and 560 nm, each of them consisting of a series of well-resolved rotational lines with half-widths of about 40-50 pm. The strongest BaI line, the band head at 538.308 nm has been evaluated systematically for its analytical use for the determination of iodine. High concentrations of hydrochloric acid (or chloride), hydrofluoric acid (or fluoride), iron, potassium and sodium resulted in significant reduction of the BaI molecular absorption. Apart from this, no other serious spectral or non-spectral interference has been observed. Different chemical forms of iodine, such as iodide, iodate and organically bound iodine produced identical BaI absorption sensitivity. The detection limit for iodine was 600 pg, and the calibration curve was linear up to 250 ng iodine. Two real samples with different chemical forms of iodine were analyzed using the proposed method. One sample was an iodide pill with a specified iodide content of 200 mg, the other one was a thyroid hormone pill with a specified content of 63.5 mg. The results were in good or satisfactory agreement with those of independent methods, the potentiometric titration and the inductively coupled plasma time-of-flight mass spectrometry (ICP-ToF-MS); the deviations were 2% and 8% for the iodide and the thyroid hormone sample, respectively. The relative standard deviation of the analytical results ( n = 3) was below 2%.

  9. An Fe XXVI Absorption Line in the Persistent Spectrum of the Dipping Low Mass X-ray Binary 1A 1744-361

    NASA Technical Reports Server (NTRS)

    Gavriil, Fotis P.; Strohmayer, Tod E.; Bhattacharyya, Sudip

    2009-01-01

    We report on Chandra X-ray Observatory (CXO) High-Energy Transmission Grating (HETG) spectra of the dipping Low Mass X-ray Binary (LMXB) 1A 1744-361 during its July 2008 outburst. We find that its persistent emission is well modeled by a blackbody (kT approx. 1.0 keV) plus power-law (Gamma approx. 1.7) with an absorption edge at 7.6 keV. In the residuals of the combined spectrum we find a significant absorption line at 6.961+/-0.002 keV, consistent with the Fe XXVI (hydrogen-like Fe) 2 - 1 transition. We place an upper limit on the velocity of a redshifted flow of v < 221 km/s. We find an equivalent width for the line of 27+2/-3 eV, from which we determine a column density of 7+/-1 x 10(exp 17)/sq cm via a curve-of-growth analysis. Using XSTAR simulations, we place a lower limit on the ionization parameter of > 10(exp 3.6) erg cm/s. The properties of this line are consistent with those observed in other dipping LMXBs. Using Rossi X-ray Timing Explorer (RXTE) data accumulated during this latest outburst we present an updated color-color diagram which clearly shows that IA 1744-361 is an "atoll" source. Finally, using additional dips found in the RXTE and CXO data we provide an updated orbital period estimate of 52+/-5 minutes.

  10. The enhancement of 21.2%-power conversion efficiency in polymer photovoltaic cells by using mixed Au nanoparticles with a wide absorption spectrum of 400 nm-1000 nm

    NASA Astrophysics Data System (ADS)

    Hao, Jing-Yu; Xu, Ying; Zhang, Yu-Pei; Chen, Shu-Fen; Li, Xing-Ao; Wang, Lian-Hui; Huang, Wei

    2015-04-01

    Au nanoparticles (NPs) mixed with a majority of bone-like, rod, and cube shapes and a minority of irregular spheres, which can generate a wide absorption spectrum of 400 nm-1000 nm and three localized surface plasmon resonance peaks, respectively, at 525, 575, and 775 nm, are introduced into the hole extraction layer poly(3,4-ethylenedioxythiophene):poly(4-styrenesulfonate) (PEDOT:PSS) to improve optical-to-electrical conversion performances in polymer photovoltaic cells. With the doping concentration of Au NPs optimized, the cell performance is significantly improved: the short-circuit current density and power conversion efficiency of the poly(3-hexylthiophene): [6,6]-phenyl-C60-butyric acid methyl ester cell are increased by 20.54% and 21.2%, reaching 11.15 mA·cm-2 and 4.23%. The variations of optical, electrical, and morphology with the incorporation of Au NPs in the cells are analyzed in detail, and our results demonstrate that the cell performance improvement can be attributed to a synergistic reaction, including: 1) both the localized surface plasmon resonance- and scattering-induced absorption enhancement of the active layer, 2) Au doping-induced hole transport/extraction ability enhancement, and 3) large interface roughness-induced efficient exciton dissociation and hole collection. Project supported by the National Basic Research Program of China (Grant Nos. 2015CB932202 and 2012CB933301), the National Natural Science Foundation of China (Grant Nos. 61274065, 51173081, 61136003, BZ2010043, 51372119, and 51172110), the Science Fund from the Ministry of Education of China (Grant No. IRT1148), the Specialized Research Fund for the Doctoral Program of Higher Education of China (Grant No. 20113223110005), the Priority Academic Program Development of Jiangsu Provincial Higher Education Institutions (Grant No. YX03001), and the National Synergistic Innovation Center for Advanced Materials and the Synergetic Innovation Center for Organic Electronics and

  11. Polarizable QM/MM Multiconfiguration Self-Consistent Field Approach with State-Specific Corrections: Environment Effects on Cytosine Absorption Spectrum.

    PubMed

    Li, Quansong; Mennucci, Benedetta; Robb, Michael A; Blancafort, Lluís; Curutchet, Carles

    2015-04-14

    We present the formulation and implementation of a polarizable quantum mechanics/molecular mechanics (QM/MM) strategy to describe environment effects in multiconfiguration self-consistent field calculations. The strategy is applied to the calculation of the vertical absorption spectrum of cytosine in water. In our approach, mutual polarization of the solute and the solvent is solved self-consistently at the complete-active-space self-consistent-field (CASSCF) level, and the resulting set of charges and dipoles is used to calculate vertical excitation energies using the complete-active-space second-order perturbative (CASPT2) approach and its multistate (MS-CASPT2) variant. In order to treat multiple excited states, we converge the solvent polarization with respect to the state-averaged density of the solute. In order to obtain the final energies, however, we introduce a state-specific correction, where the solvent polarization is recomputed with the density of each state, and demonstrate that this correction brings the excitation energies closer to the values obtained with state-optimized orbitals. Comparison with PCM and nonpolarizable QM/MM calculations shows the importance of specific solute-solvent interactions and environment polarization in describing experiments. Overall, the calculated excitations for the π → π* states in water show good agreement with the experimental spectrum, whereas the n → π* appear at energies above 6 eV, approximately 1 eV higher than in the gas phase. Beyond solvents, the new method will allow studying the impact of heterogeneous biological environments in multiple excited states, as well as the treatment of multichromophoric systems where charge transfer and exciton states play important roles.

  12. Sex differences in the timing of identification among children and adults with autism spectrum disorders.

    PubMed

    Begeer, Sander; Mandell, David; Wijnker-Holmes, Bernadette; Venderbosch, Stance; Rem, Dorien; Stekelenburg, Fred; Koot, Hans M

    2013-05-01

    To examine differences by sex in the timing of identification of individuals with autism spectrum disorders (ASD), survey data were collected in the Netherlands from 2,275 males and females with autistic disorder, Asperger's syndrome and PDD-NOS. Among participants < 18 years of age, females with Asperger's syndrome were identified later than males. Among participants ≥ 18 years of age, females with autistic disorder were identified later than males. In more recent years, girls with Asperger's syndrome are diagnosed later than boys, confirming earlier findings. In adults, the delayed timing of diagnosis in females with autistic disorder may be related to changing practices in diagnosis over time. Strategies for changing clinician behaviour to improve recognition of ASD in females are needed.

  13. Language Differences at 12 Months in Infants Who Develop Autism Spectrum Disorder.

    PubMed

    Lazenby, DeWayne C; Sideridis, Georgios D; Huntington, Noelle; Prante, Matthew; Dale, Philip S; Curtin, Suzanne; Henkel, Lisa; Iverson, Jana M; Carver, Leslie; Dobkins, Karen; Akshoomoff, Natacha; Tagavi, Daina; Nelson, Charles A; Tager-Flusberg, Helen

    2016-03-01

    Little is known about early language development in infants who later develop autism spectrum disorder (ASD). We analyzed prospective data from 346 infants, some of whom were at high risk for developing ASD, to determine if language differences could be detected at 12 months of age in the infants who later were diagnosed with ASD. Analyses revealed lower receptive and expressive language scores in infants who later were diagnosed with ASD. Controlling for overall ability to understand and produce single words, a Rasch analysis indicated that infants who later developed ASD had a higher degree of statistically unexpected word understanding and production. At 12 months of age, quantitative and qualitative language patterns distinguished infants who later developed ASD from those who did not.

  14. Children with autistic spectrum disorders and speech-generating devices: communication in different activities at home.

    PubMed

    Thunberg, Gunilla; Ahlsén, Elisabeth; Sandberg, Annika Dahlgren

    2007-06-01

    The communication of four children with autistic spectrum disorder was investigated when they were supplied with a speech-generating device (SGD) in three different activities in their home environment: mealtime, story reading and "sharing experiences of the preschool day". An activity based communication analysis, in which collective and individual background factors for the activities were outlined, was used as a basis for the discussion of linguistic coding data derived from video-recordings made before and during SGD intervention. The coded communicative behaviours were engagement in activity, role in turn-taking, communicative form, function and effectiveness. An increase in communicative effectiveness was more noticeable when the SGDs could be used to fulfil goals and roles within the activity. The instruction to the parents to use the SGDs in their communication with the child had an important influence on the activities.

  15. In vitro mitomycin C absorption and delivery with different sponge materials used in filtering surgery

    PubMed Central

    Urbaneja, Diana; Morilla-Grasa, Antonio; Jimenez, Elisa; Montemayor, Judith; Marcobal, Nuria; Aragay, Carme; Gurdiel, Celia; Armillas, Marta; Ortiz, Pere; Antón, Alfonso

    2016-01-01

    Purpose The purpose of this study is to evaluate and compare mitomycin C (MMC) absorption and delivery in different materials used in filtering surgery. Methods This is an in vitro study comparing polyvinyl alcohol triangular sponges (TS6, TS8), polyvinyl alcohol fluid wicks (EFW), and absorbable gelatin sponges (AGS3, AGS5), from which five different types of transport units were obtained. Seven pieces of sponge of each transport unit type were obtained as follows: two transverse strips were obtained at 6 and 8 mm from the apex of TS and divided into three equal pieces; 4×4 mm pieces of EFW; 3×3 and 5×5 mm pieces of absorbable gelatin sponges were cut. Filter paper was placed on a precision scale (0.01 mg). The seven sponge pieces of each type were weighed three times consecutively in dry and wet states, the latter after immersion for 15 seconds in 0.2 mg/mL MMC. The difference between the weights of the dry and wet filter paper at the end of each measurement sequence was also calculated and considered as an estimate of the amount of mitomycin delivered. Results The amounts of MMC absorbed by each transport unit were as follows: (mean ± standard deviation) 27.43±5.13 for TS6, 31.91±6.63 for TS8, 15.96±2.23 for EFW, 17.96±2.05 for AGS3, and 33.81±2.05 for AGS5. The amounts of MMC delivered to the filter paper were as follows: 21.70±2.84 for TS6, 23.83±4.03 for TS8, 12.93±1.75 for EFW, 14.69±1.79 for AGS3, and 27.30±1.58 for AGS5. Conclusion Percentage MMC delivered was similar for all materials, but there was a tendency for greater delivery using larger sponges and greater homogeneity in delivery with AGS5. No statistical differences were found in percentage delivered by the different transport materials. PMID:27143843

  16. Half or full core hole in density functional theory X-ray absorption spectrum calculations of water?

    PubMed

    Cavalleri, Matteo; Odelius, Michael; Nordlund, Dennis; Nilsson, Anders; Pettersson, Lars G M

    2005-08-07

    We analyze the performance of two different core-hole potentials in the theoretical modeling of XAS of ice, liquid and gas phase water; the use of a full core-hole (FCH) in the calculations, as suggested by Hetenyi et al. [B. Hetenyi, F. De Angelis, P. Giamozzi and R. Car, J. Chem. Phys., 2004, 120(18), 8632], gives poor agreement with experiment in terms of intensity distribution as well as transition energies, while the half core hole (HCH) potential, in the case of water, provides a better compromise between initial and final state effects, leading to good agreement with the experimental data.

  17. Electrooptical Absorption Measurements (EOAM) Testify Existence of two Conformers of Prodan and Laurdan with Different Dipole Moments in Equilibrium Ground and Franck-Condon Excited State.

    PubMed

    Nemkovich, N A; Detert, H; Roeder, N

    2016-09-01

    The results from the electrooptical absorption measurements (EOAM) on the equilibrium ground and excited Franck-Condon state dipole moments of Prodan and Laurdan in 1,4-dioxane are presented. As follows from experiments Prodan and Laurdan in the equilibrium ground and excited Franck-Condon state have two conformers with considerably different dipole moments. The electrical dipole moments and the transition dipole moment, obtained from the short-wavelength region of the absorption spectrum are parallel. The electrical dipole moments measured at the long-wavelength spectral region are parallel to each other but not parallel to the transition dipole moment m a. The angle θ between the transition dipole moment m a and the dipole moment in the equilibrium ground state μ g of the long-wavelength conformer is about 30(0) for both probes. Obtained results evidence that donor-acceptor pairs of the short-wavelength and long-wavelength conformers are not located on the same axis. Two low-energy conformers of Prodan have been found by density functional theory (DFT) calculations, differing in the orientation of the carbonyl group towards the naphthalene system.

  18. Ingestion, enzymatic digestion and absorption of particles derived from different vegetal sources by the cockle Cerastoderma edule

    NASA Astrophysics Data System (ADS)

    Arambalza, U.; Urrutia, M. B.; Navarro, E.; Ibarrola, I.

    2010-10-01

    Ingestion, enzymatic digestion and absorption of particulate detrital matter derived from six different vegetal sources by the common cockle Cerastoderma edule was analyzed in a series of seasonal experiments performed in March, May and October 2005. Two green macroalgae: Ulva lactuca and Enteromorpha sp; two vascular plants: Spartina maritima and Juncus maritimus, the red macroalgae Gracilaria gracilis; and the microalgae Isochrysis galbana were used in experiments. Detrital matter was elaborated by freeze-drying, grinding and sieving (< 63 μm) vegetal tissues. Mono-specific detrital diets of similar organic content (≈ 60-70%) were elaborated by mixing detritus with ashed silt. We measured i) the biochemical composition of different detritus, ii) physiological components of the absorptive balance (i.e. clearance, ingestion, rejection and absorption rate and absorption efficiency), iii) the capability of the digestive gland to hydrolyze carbohydrates from different detritus (digestibility), as well as iv) glandular cellulase and xylanase activities. Detritus type, season and the interaction detritus-season exerted significant effects upon all the physiological components of absorptive balance. Effects were light at the pre-absorptive level, however, huge variations associated to absorption efficiency promoted large significant differences in absorption rates (AR) of different kind of detritus: irrespective of season, highest values corresponded to cockles fed the green macroalgae ( Ulva and Enteromorpha) and lowest to those fed the vascular plant Juncus maritimus. Recorded significant differences in enzymatic digestibility among detritus were found to explain ≈ 40% of differences recorded in AR, and the following regression could be fitted: AR = 0.232 (± 0.032) * Digestibility + 0,072 (± 0.015); r 2 = 0.415; F = 51.036; p < 0.001. Digestibility of Ulva and Enteromorpha was found to be significantly correlated with cellulase activity in the digestive gland

  19. The very short-lived ozone depleting substance CHBr3 (bromoform): Revised UV absorption spectrum, atmospheric lifetime and ozone depletion potential

    NASA Astrophysics Data System (ADS)

    Papanastasiou, Dimitrios K.; McKeen, Stuart A.; Burkholder, James B.

    2014-05-01

    more pronounced as wavelength increases and temperature decreases. The source of this discrepancy is further discussed. A parameterization of the CHBr3 UV spectrum for use in atmospheric models is developed and illustrative photolysis rate calculations are presented to highlight the impact of the revised σ(Λ,T) values on its calculated local lifetimes. For instance, CHBr3 atmospheric photolysis rate in the tropical region obtained with the present spectral data was found to be 10-15% lower (longer lifetime) than that obtained using the currently recommended values. Moreover, seasonally dependent ozone depletion potentials (ODPs) for CHBr3 emitted in the Indian sub-continent were calculated using the semi-empirical relationship of Brioude et al. (Brioude et al., Geophys. Res. Lett., 37, L19804, doi: 10.1029/2010GL044856, 2010) to evaluate the impact of the present results on stratospheric ozone. In conclusion, the present study reports improved UV absorption cross section data for the short-lived ozone depleting substance CHBr3, which are a result of high quality measurements and a thorough investigation of possible sources of systematic error. The CHBr3 UV cross section data, from this study, combined with OH kinetic data enables more accurate model predictions of stratospheric bromine loading and its impact on stratospheric ozone.

  20. Combined analysis of shock absorption capability and force dispersion effect of mouthguard materials with different impact objects.

    PubMed

    Chowdhury, Ruman Uddin; Churei, Hiroshi; Takahashi, Hidekazu; Wada, Takahiro; Uo, Motohiro; Fukasawa, Shintaro; Abe, Keisuke; Shahrin, Sharika; Ueno, Toshiaki

    2014-01-01

    The aims of the present study were to investigate the shock absorption capability and force dispersion effect of mouthguard (MG) materials using load cell and film sensors. Two kinds of MG materials, ethylene vinyl acetate and polyolefin, were chosen for this study. When impact forces of approximately 5,000 N were applied on the MG materials using a round flat-nosed rod and a bluntly pointed rod, peak intensities were measured using the load cell sensor while peak stresses and impressed stress distribution areas were measured using the film sensor. Combined analysis using both load cell and film sensors clearly showed the shock absorption properties and force dispersion effects of different MG materials with different impact object shapes. Therefore, impact analysis involving a combined use of these sensor systems was useful and reliable in assessing the shock absorption capability and force dispersion effect of MG materials.

  1. Mechanism and rate of glucose absorption differ between an Australian honeyeater (Meliphagidae) and a lorikeet (Loriidae).

    PubMed

    Napier, Kathryn R; McWhorter, Todd J; Fleming, Patricia A

    2008-11-01

    Efficient mechanisms of glucose absorption are necessary for volant animals as a means of reducing mass during flight: they speed up gut transit time and require smaller volume and mass of gut tissue. One mechanism that may be important is absorption via paracellular (non-mediated) pathways. This may be particularly true for nectarivorous species which encounter large quantities of sugar in their natural diet. We investigated the extent of mediated and non-mediated glucose absorption in red wattlebirds Anthochaera carunculata (Meliphagidae) and rainbow lorikeets Trichoglossus haematodus (Loriidae) to test the hypothesis that paracellular uptake accounts for a significant proportion of total glucose uptake in these species. We found that routes of glucose absorption are highly dynamic in both species. In lorikeets, absorption of L-glucose (non-mediated uptake) is slower than that of D-glucose (mediated and non-mediated uptake), with as little as 10% of total glucose absorbed by the paracellular pathway initially (contrasting previous indirect estimates of approximately 80%). Over time, however, more glucose may be absorbed via the paracellular route. Glucose absorption by both mediated and non-mediated mechanisms in wattlebirds occurred at a faster rate than in lorikeets, and wattlebirds also rely substantially on paracellular uptake. In wattlebirds, we recorded higher bioavailability of L-glucose (96+/-3%) compared with D-glucose (57+/-2%), suggesting problems with the in vivo use of radiolabeled d-glucose. Further trials with 3-O-methyl-D-glucose revealed high bioavailability in wattlebirds (90+/-5%). This non-metabolisable glucose analogue remains the probe of choice for measuring uptake rates in vivo, especially in birds in which absorption and metabolism occur extremely rapidly.

  2. Infrared Attenuation Spectrum of Bulk High-Resistivity CdZnTe Single Crystal in Transparent Wavelength Region Between Electronic and Lattice Absorptions

    NASA Astrophysics Data System (ADS)

    Sarugaku, Yuki; Kaji, Sayumi; Ikeda, Yuji; Kobayashi, Naoto; Sukegawa, Takashi; Nakagawa, Takao; Kataza, Hirokazu; Kondo, Sohei; Yasui, Chikako; Nakanishi, Kenshi; Kawakita, Hideyo

    2017-01-01

    We report measurement of the internal attenuation coefficient, α _{att}, of a bulk high-resistivity cadmium zinc telluride (CdZnTe) single crystal at wavelength, λ = 0.84-26 μm, to the unprecedentedly low level of α _{att} ˜ 0.001 cm^{-1}. This measurement reveals the spectral behavior for small attenuation in the infrared transparent region between the electronic and lattice absorptions. This result is essential for application of CdZnTe as an infrared transmitting material. Comparing the attenuation spectrum with model spectra obtained on the basis of Mie theory, we find that sub-micrometer-sized Te particles (inclusions) with a number density of approximately 10^{7.5-9} cm^{-3} are the principal source of the small attenuation observed at λ = 0.9-13 μm. In addition, we determine α _{att} = (7.7 ± 1.9) × 10^{-4} cm^{-1} at λ = 10.6 μm, which is valuable for CO_2 laser applications. Higher transparency can be achieved by reducing the number of inclusions rather than the number of precipitates. This study also demonstrates that high-accuracy measurement of CdZnTe infrared transmittance is a useful approach to investigating the number density of sub-micrometer-sized Te particles that cannot be identified via infrared microscopy.

  3. Communication: Does a single CH{sub 3}CN molecule attached to Ru(bipy){sub 3}{sup 2+} affect its absorption spectrum?

    SciTech Connect

    Stockett, M. H.; Brøndsted Nielsen, S.

    2015-05-07

    Tris(bipyridine)ruthenium(II) (Ru(bipy){sub 3}{sup 2+}) is a prototypical transition metal coordination complex whose photophysical properties have attracted considerable attention. A much debated issue is whether the metal-to-ligand charge transfer (MLCT) transition that accounts for the complex’s beautiful red color is fully delocalized across all three bipyridine ligands or located on just one ligand. Here, we show based on gas-phase action spectroscopy that attachment of a single acetonitrile molecule does not change the absorption spectrum from that of the bare ions, which is indicative of a delocalized state. However, the gas-phase spectra of the bare and one solvent molecule complexes are significantly blueshifted relative to that obtained in bulk acetonitrile, which suggests that in solution the polarizability of many solvent molecules working together can localize the MLCT state. Our data clearly show that more than one solvent molecule is needed to break the symmetry of the MLCT excited state and reproduce its solution-phase characteristics.

  4. Titanium Dioxide/Upconversion Nanoparticles/Cadmium Sulfide Nanofibers Enable Enhanced Full-Spectrum Absorption for Superior Solar Light Driven Photocatalysis.

    PubMed

    Zhang, Fu; Zhang, Chuan-Ling; Wang, Wan-Ni; Cong, Huai-Ping; Qian, Hai-Sheng

    2016-06-22

    In this work, we demonstrate an electrospinning technique to fabricate TiO2 /upconversion nanoparticles (UCNPs)/CdS nanofibers on large scale. In addition, the as-prepared TiO2 nanofibers are incorporated with a high population of UCNPs and CdS nanospheres; this results in Förster resonance energy-transfer configurations of the UCNPs, TiO2 , and CdS nanospheres that are in close proximity. Hence, strong fluorescent emissions for the Tm(3+) ions including the (1) G4 →(3) H6 transition are efficiently transferred to TiO2 and the CdS nanoparticles through an energy-transfer process. The as-prepared TiO2 /UCNPs/CdS nanofibers exhibit full-spectrum solar-energy absorption and enable the efficient degradation of organic dyes by fluorescence resonance energy transfer between the UCNPs and TiO2 (or CdS). The UCNPs/TiO2 /CdS nanofibers may also have enhanced energy-transfer efficiency for wide applications in solar cells, bioimaging, photodynamics, and chemotherapy.

  5. Pharmacokinetic and pharmacodynamic evaluation according to absorption differences in three formulations of ibuprofen

    PubMed Central

    Shin, Dongseong; Lee, Sook Joung; Ha, Yu-Mi; Choi, Young-Sim; Kim, Jae-Won; Park, Se-Rin; Park, Min Kyu

    2017-01-01

    Objective Prostaglandin E2 (PGE2) synthesis is modulated by COX2. Changes in PGE2 could be used to quantify the COX2 inhibition after ibuprofen administration. This study investigated the pharmacokinetic and pharmacodynamic relationships for COX2 inhibition according to three formulations of ibuprofen in healthy male subjects. Materials and methods A randomized, open-label, single-dose, three-treatment, six-sequence crossover study was performed in 36 healthy South Korean male volunteers. Enrolled subjects received the following three 200 mg ibuprofen formulations: ibuprofen arginine, solubilized ibuprofen capsule, and standard ibuprofen. Pharmacokinetic and pharmacodynamic blood samples were collected for 16 hours following treatment. For pharmacodynamic evaluations, lipopolysaccharide (LPS)-induced PGE2 inhibition at each time point compared to predose was measured. Noncompartmental analysis was used for pharmacokinetic assessment, and time-weighted average inhibition (WAI) of PGE2 was applied to the pharmacodynamic evaluation. Results After a single oral dose of the ibuprofen formulations, the median times to maximum concentration were 0.42, 0.5, and 1.25 hours in ibuprofen arginine, solubilized ibuprofen capsule, and ibuprofen, respectively. The maximum observed plasma concentration was lower in ibuprofen, and the area under the plasma concentration–time curve was comparable among the three formulations. A significant difference was observed between fast-acting formulations and standard ibuprofen tablets for both maximum concentration and time taken to reach it. Individual formulations had an effect on PGE2 WAI during the 8 hours following treatment, resulting in significantly lower WAI in standard ibuprofen: ibuprofen arginine 18.4%, solubilized ibuprofen capsule 18.4%, and standard ibuprofen 11.6%. Conclusion Rapid absorption and higher peak concentration were observed in ibuprofen arginine and the solubilized ibuprofen capsule. Additionally, fast

  6. Difference in the nonlinearity of absorption in natural and synthetic coals

    SciTech Connect

    S.A. Mikhnov; I.I. Ugolev

    2004-07-15

    It is established that on an increase in the super high frequency (SHF) radiation power for powder anthracite, a more rapid increase in the amplitude of the EPR line is observed in comparison to the case of linear absorption, whereas for carbon obtained by deposition of the products of pyrolysis of deuterobenzene (C{sub 6}D{sub 6}) on the surface of {gamma}-Al{sub 2}O{sub 3} there occurs saturation of absorption. At an air pressure of about 10{sup -3} mm Hg, saturation of resonance absorption is observed in both samples. The linear effects observed can be understood within the framework of the formalism of a three-level scheme possible in the case of the triplet ground state of the paramagnetic centers of powder anthracite.

  7. A mixed quantum-classical molecular dynamics study of the hydroxyl stretch in methanol/carbon tetrachloride mixtures: equilibrium hydrogen-bond structure and dynamics at the ground state and the infrared absorption spectrum.

    PubMed

    Kwac, Kijeong; Geva, Eitan

    2011-07-28

    We present a mixed quantum-classical molecular dynamics study of the structure and dynamics of the hydroxyl stretch in methanol/carbon tetrachloride mixtures. One of the methanol molecules is tagged, and its hydroxyl stretch is treated quantum-mechanically, while the remaining degrees of freedom are treated classically. The adiabatic Hamiltonian of the quantum-mechanical hydroxyl is diagonalized on-the-fly to obtain the corresponding adiabatic energy levels and wave functions which depend parametrically on the instantaneous configuration of the classical degrees of freedom. The dynamics of the classical degrees of freedom are in turn affected by the quantum-mechanical state of the tagged hydroxyl stretch via the corresponding Hellmann-Feynman forces. The ability of five different force-field combinations to reproduce the experimental absorption infrared spectrum of the hydroxyl stretch is examined for different isotopomers and on a wide range of compositions. It is found that, in addition to accounting for the anharmonic nature of the hydroxyl stretch, one also has to employ polarizable force fields and account for the damping of the polarizability at short distances. The equilibrium ground-state hydrogen-bonding structure and dynamics is analyzed, and its signature on the absorption infrared spectrum of the hydroxyl stretch is investigated in detail. Five different hydroxyl stretch subpopulations are identified and spectrally assigned: monomers (α), hydrogen-bond acceptors (β), hydrogen-bond donors (γ), simultaneous hydrogen-bond donors and acceptors (δ), and simultaneous hydrogen-bond donors and double-acceptors (ε). The fundamental transition frequencies of the α and β subpopulations are found to be narrowly distributed and to overlap, thereby giving rise to a single narrow band whose intensity is significantly diminished by rotational relaxation. The fundamental transition frequency distributions of the γ, δ, and ε subpopulations are found to be

  8. Room-temperature vibrational difference spectrum for S2QB-/S1QB of photosystem II determined by time-resolved Fourier transform infrared spectroscopy.

    PubMed

    Zhang, H; Fischer, G; Wydrzynski, T

    1998-04-21

    Time-resolved FTIR spectroscopy has been used to kinetically characterize the vibrational properties of intact photosystem II-enriched membrane samples undergoing the S1QB-to-S2QB- transition at room temperature. To optimize the experimental conditions for the FTIR measurements, oxygen polarographic and variable chlorophyll a fluorescence measurements were used to define the decay of S2 and QA-, respectively. The flash-induced S2QB-/S1QB difference spectra were measured at a temporal resolution of 4.44 s and a spectral resolution of 4 cm-1. An intense positive band is observed at 1480 cm-1 in the difference spectrum and shows a slow decay with a half time of approximately 13 s. Based on its decay kinetics and analogy to the infrared absorption of QA- of photosystem II and QB- in bacterial reaction centers, we conclude that the 1480 cm-1 band arises from QB- of PSII and tentatively assign it to the upsilon(CO) mode of the semiquinone anion QB-. The infrared spectral features attributed to the S1-to-S2 transition of the Mn cluster at room temperature show striking similarity to the S2/S1 difference spectrum measured at cryogenic temperatures (Noguchi, T., Ono, T.-A., and Inoue, Y. (1995) Biochim. Biophys. Acta 1228, 189-200).

  9. Understanding Differences in Neurotypical and Autism Spectrum Special Interests through Internet Forums

    ERIC Educational Resources Information Center

    Jordan, Chloe Jennifer; Caldwell-Harris, Catherine L.

    2012-01-01

    Special interests are frequently developed by individuals with autism spectrum disorder, expressed as an intense focus on specific topics. Neurotypical individuals also develop special interests, often in the form of hobbies. Although past research has focused on special interests held by children with autism spectrum disorder, little is known…

  10. Sex Differences in Pre-Diagnosis Concerns for Children Later Diagnosed with Autism Spectrum Disorder

    ERIC Educational Resources Information Center

    Hiller, Rachel M.; Young, Robyn L.; Weber, Nathan

    2016-01-01

    In the absence of intellectual impairment, girls are diagnosed with autism spectrum disorder significantly less and later than boys. This study explored potential reasons for why autism spectrum disorder may be more difficult to identify in girls, based on carer concerns during the pre-diagnosis period. Carers of 92 boys and 60 girls diagnosed…

  11. Symptom Characteristics and Psychosomatic Profiles in Different Spectrum of Gastroesophageal Reflux Disease

    PubMed Central

    Lim, Chul-Hyun; Baeg, Myong Ki; Moon, Sung Jin; Kim, Jin Su; Cho, Yu Kyung; Park, Jae Myung; Lee, In Seok; Kim, Sang Woo; Choi, Kyu Yong

    2014-01-01

    Background/Aims Gastroesophageal reflux disease (GERD) is diagnosed based on symptoms of heartburn and regurgitation but is a heterogeneous condition which can be subclassified according to endoscopy and esophageal reflux monitoring. The aim of this study was to identify differences in demographic characteristics and reflux symptom patterns among patients with various spectrum of GERD. Methods Patients having weekly heartburn or acid regurgitation were classified into four pathophysiological subgroups according to endoscopy and pH monitoring: reflux esophagitis (RE), endoscopy-negative reflux disease with pathological reflux (PR+), hypersensitive esophagus (HE), and normal acid exposure with negative symptom association (pH-). Results A total of 195 patients were enrolled. The numbers of patients in the subgroups were: RE, 39.0%; PR+, 20.0%; HE, 10.3%; and pH-, 30.8%. Grossly, reflux symptom patterns and relieving/exacerbating factors did not differ between subgroups. Prevalence of extraesophageal syndrome was higher in patients with PR+ than in other groups. Overlapping functional dyspepsia was common in all groups. The SCL-90-R depression score was higher in PR+ patients than in RE patients (p<0.05). Conclusions Demographic characteristics and reflux symptom patterns cannot differentiate pH- group from GERD subtypes. Esophageal pH monitoring could be considered for the initial evaluation of GERD in the tertiary referral setting. PMID:24672658

  12. Children with Autism Spectrum Disorder scan own-race faces differently from other-race faces.

    PubMed

    Yi, Li; Quinn, Paul C; Fan, Yuebo; Huang, Dan; Feng, Cong; Joseph, Lisa; Li, Jiao; Lee, Kang

    2016-01-01

    It has been well documented that people recognize and scan other-race faces differently from faces of their own race. The current study examined whether this cross-racial difference in face processing found in the typical population also exists in individuals with Autism Spectrum Disorder (ASD). Participants included 5- to 10-year-old children with ASD (n=29), typically developing (TD) children matched on chronological age (n=29), and TD children matched on nonverbal IQ (n=29). Children completed a face recognition task in which they were asked to memorize and recognize both own- and other-race faces while their eye movements were tracked. We found no recognition advantage for own-race faces relative to other-race faces in any of the three groups. However, eye-tracking results indicated that, similar to TD children, children with ASD exhibited a cross-racial face-scanning pattern: they looked at the eyes of other-race faces longer than at those of own-race faces, whereas they looked at the mouth of own-race faces longer than at that of other-race faces. The findings suggest that although children with ASD have difficulty with processing some aspects of faces, their ability to process face race information is relatively spared.

  13. Sex Differences in Diagnosis and Clinical Phenotypes of Chinese Children with Autism Spectrum Disorder.

    PubMed

    Wang, Shihuan; Deng, Hongzhu; You, Cong; Chen, Kaiyun; Li, Jianying; Tang, Chun; Ceng, Chaoqun; Zou, Yuanyuan; Zou, Xiaobing

    2017-04-01

    The aim of this study was to explore the differences between boys and girls in the diagnosis and clinical phenotypes of autism spectrum disorder (ASD) in China's mainland. Children diagnosed with ASD (n = 1064, 228 females) were retrospectively included in the analysis. All children were assessed using the Autism Diagnostic Interview-Revised (ADI-R) and Autism Diagnostic Observation Schedule (ADOS). The results showed that girls scored significantly higher in ADI-R socio-emotional reciprocity than boys, and also scored lower in ADI-R and ADOS restricted and repetitive behaviors (RRBs). Meanwhile, the proportions of girls who satisfied the diagnostic cut-off scores in the ADI-R RRBs domain were lower than in boys (P < 0.05). Our results indicated that girls with ASD show greater socio-emotional reciprocity than boys. Girls also tended to show fewer RRBs than boys, and the type of RRBs in girls differ from those in boys. The ADI-R was found to be less sensitive in girls, particularly for assessment in the RRBs domain.

  14. [Absorption and utilization of different applied nitrogen forms by winter jujube].

    PubMed

    Peng, Yong; Peng, Fu-tian; Zhou, Peng; Zhang, Xiao-yan

    2007-06-01

    With pot experiment, this paper studied the absorption and utilization of applied urea N, Gly N and Glu N by two years old winter jujube. The results showed that all of the three N forms could be absorbed by the winter jujube, but the absorption rate of Gly N and Glu N was less than that of urea N. Taking the absorption rate of urea N as 100%, the relative absorption rate of Gly N and Glu N by jujube leaves was 28.88% and 11.73%, respectively, and the absorbed N was mainly allocated to the leaves and neonatal branches. Jujube roots could absorb 50.48% of Gly N and 42.72% of Glu N. The transaminase activity and soluble protein content in jujube leaves were increased after the application of these three N forms, but the leaf nitrate reductase activity was enhanced significantly by urea N, decreased by Gly N, and less affected by Glu N. Compared with urea N, amino acid N could significantly increase the number of colored fruits and their colored area, as well as the content of fruit soluble solid matter.

  15. H I absorption towards low-luminosity radio-loud active galactic nuclei of different accretion modes and WISE colours

    NASA Astrophysics Data System (ADS)

    Chandola, Yogesh; Saikia, D. J.

    2017-02-01

    H I absorption studies of active galaxies enable us to probe their circumnuclear regions and the general interstellar medium and study the supply of gas that may trigger nuclear activity. In this article, we investigate the dependence of the detection rate of H I absorption on the nature of radio galaxies based on their emission-line spectra and on the nature of host galaxies based on WISE colours and their radio structure, which may help us understand the different accretion modes. We find significant differences in the distributions of W2-W3 colour for sources with H I absorption detections and non-detections. We report a high detection rate of H I absorption in those galaxies with WISE infrared colours W2-W3 > 2, typical of gas-rich systems, along with a compact radio structure. The H I detection rate for low-excitation radio galaxies (LERGs) with W2-W3 > 2 and compact radio structure is high (70.6 ± 20.4 per cent). In high-excitation radio galaxies (HERGs), compact radio structure in the nuclear or circumnuclear region could give rise to absorption by gas in the dusty torus, in addition to gas in the interstellar medium. However, the higher specific star-formation rate (sSFR) for LERGs with W2-W3 > 2 suggests that H I absorption may be largely due to star-forming gas in their hosts. LERGs with extended radio structure tend to have significantly lower values of W2-W3 compared with those with compact structure. Extended radio sources and those with W2-W3 < 2 have low H I detection rates.

  16. [Analysis and comparison of intestinal absorption of components of Gegenqinlian decoction in different combinations based on pharmacokinetic parameters].

    PubMed

    Zhang, Yi-Zhu; An, Rui; Yuan, Jin; Wang, Yue; Gu, Qing-Qing; Wang, Xin-Hong

    2013-10-01

    To analyse and compare the characteristics of the intestinal absorption of puerarin, baicalin, berberine and liquiritin in different combinations of Gegenqinlian decoction based on pharmacokinetic parameters, a sensitive liquid chromatography-tandem mass spectrometric (LC-MS/MS) method was applied for the quantification of four components in rat's plasma. And pharmacokinetic parameters were determined from the plasma concentration-time data with the DAS software package. The influence of different combinations on pharmacokinetics of four components was studied to analyse and compare the absorption difference of four components, together with the results of the in vitro everted gut model and the rat single pass intestinal perfusion model. The results showed that compared with other combinations, the AUC values of puerarin, baicalin and berberine were increased significantly in Gegenqinlian decoction group, while the AUC value of liquiritin was reduced. Moreover, the absorption of four components was increased significantly supported by the results from the in vitro everted gut model and the rat single pass intestinal perfusion model, which indicated that the Gegenqinlian decoction may promote the absorption of four components and accelerate the metabolism of liquiritin by the cytochrome P450.

  17. Social skills: differences among adults with intellectual disabilities, co-morbid autism spectrum disorders and epilepsy.

    PubMed

    Smith, Kimberly R M; Matson, Johnny L

    2010-01-01

    Assessing social skills is one of the most complex and challenging areas to study because behavioral repertoires vary depending on an individual's culture and context. However, researchers have conclusively demonstrated that individuals with intellectual disabilities (ID) have impaired social skills as well as those with co-morbid autism spectrum disorders (ASD) and epilepsy. However, it is unknown how these groups differ. Assessment of social skills was made with the Matson Evaluation of Social Skills for Individuals with Severe Retardation. One hundred participants with ID were matched and compared across four equal groups comprising 25 participants with ID, 25 participants with epilepsy, 25 participants with ASD, and 25 participants with combined ASD and epilepsy. When controlling for age, gender, race, level of ID, and hearing and visual impairments, significant differences were found among the four groups on the MESSIER, Wilks's Λ=.58, F(18, 257)=3.05, p<.01. The multivariate η(2) based on Wilks's Λ was .17. Significant differences were found on the Positive Verbal subscale, F(3, 96)=3.70, p<.01, η(2)=.10, Positive Non-verbal subscale, F(3, 96)=8.95, p<.01, η(2)=.22, General Positive subscale, F(3, 96)=7.30, p<.01, η(2)=.19, Negative Non-verbal subscale, F(3, 96)=5.30, p<.01, η(2)=.14, and General Negative subscale, F(3, 96)=3.16, p<.05, η(2)=.09. Based on these results, individuals with ID expressing combined co-morbid ASD and epilepsy had significantly more impaired social skills than the ID only or groups containing only a single co-morbid factor with ID (ASD or epilepsy only). Implications of these findings are discussed.

  18. Examination of Sex Differences in a Large Sample of Young Children with Autism Spectrum Disorder and Typical Development

    ERIC Educational Resources Information Center

    Reinhardt, Vanessa P.; Wetherby, Amy M.; Schatschneider, Christopher; Lord, Catherine

    2015-01-01

    Despite consistent and substantive research documenting a large male to female ratio in Autism Spectrum Disorder (ASD), only a modest body of research exists examining sex differences in characteristics. This study examined sex differences in developmental functioning and early social communication in children with ASD as compared to children with…

  19. Sex Differences in Children with Autism Spectrum Disorders Compared with Their Unaffected Siblings and Typically Developing Children

    ERIC Educational Resources Information Center

    Park, Subin; Cho, Soo-Churl; Cho, In Hee; Kim, Boong-Nyun; Kim, Jae-Won; Shin, Min-Sup; Chung, Un-Sun; Park, Tae-Won; Son, Jung-Woo; Yoo, Hee Jeong

    2012-01-01

    This study examined the nature of cognitive and behavioral sex differences in children with autism spectrum disorders (ASDs) and two comparison groups: a group of typically developing (TD) children and a group of unaffected siblings of ASD children. Sex differences in core autistic symptoms, co-occurring behavioral symptoms, and cognitive styles…

  20. Studies on different iron source absorption by in situ ligated intestinal loops of broilers.

    PubMed

    Jia, Y F; Jiang, M M; Sun, J; Shi, R B; Liu, D S

    2015-02-01

    The objective of this study was to investigate the iron source absorption in the small intestine of broiler. In situ ligated intestinal loops of 70 birds were poured into one of seven solutions, including inorganic iron (FeSO4, Fe2(SO4)3), organic Fe glycine chelate (Fe-Gly(II), Fe-Gly(III)), the mixtures (FeSO4 with glycine (Fe+Gly(II)), Fe2(SO4)3 with glycine (Fe+Gly(III)), and no Fe source (control). The total volume of 3-mL solution (containing 1 mg of elemental Fe) was injected into intestinal loops, and then 120-min incubation was performed. Compared with inorganic iron groups, in which higher FeSO4 absorption than Fe2(SO4)3 was observed, supplementation with organic Fe glycine chelate significantly increased the Fe concentration in the duodenum and jejunum (P < 0.05), however, decreased DMT1 and DcytB messenger RNA (mRNA) levels (P < 0.05). Organic Fe glycine chelate (Fe-Gly(II), Fe-Gly(III)) increased serum iron concentration (SI), compared with inorganic 3 valence iron groups (Fe2(SO4)3 and Fe+Gly(III)) (P < 0.05); moreover, lower TIBC value was observed for the chelate (P < 0.05); however, mixture of inorganic iron and glycine did not have a positive role at DMT1 and DcytB mRNA levels, SI and Fe concentrations in the small intestine. Those results indicated that the absorption of organic Fe glycine chelate was more effective than that of inorganic Fe, and the orders of iron absorption in the small intestine were: Fe-Gly(II), Fe-Gly(III) > FeSO4, Fe+Gly(II) > Fe2(SO4)3, Fe+Gly(III). Additionally, the simple mixture of inorganic iron and glycine could not increase Fe absorption, and the duodenum was the main site of Fe absorption in the intestines of broilers and the ileum absorbed iron rarely.

  1. Satellite monitoring of different vegetation types by differential optical absorption spectroscopy (DOAS) in the red spectral range

    NASA Astrophysics Data System (ADS)

    Wagner, T.; Beirle, S.; Deutschmann, T.; Grzegorski, M.; Platt, U.

    2007-01-01

    A new method for the satellite remote sensing of different types of vegetation and ocean colour is presented. In contrast to existing algorithms relying on the strong change of the reflectivity in the red and near infrared spectral region, our method analyses weak narrow-band (few nm) reflectance structures (i.e. "fingerprint" structures) of vegetation in the red spectral range. It is based on differential optical absorption spectroscopy (DOAS), which is usually applied for the analysis of atmospheric trace gas absorptions. Since the spectra of atmospheric absorption and vegetation reflectance are simultaneously included in the analysis, the effects of atmospheric absorptions are automatically corrected (in contrast to other algorithms). The inclusion of the vegetation spectra also significantly improves the results of the trace gas retrieval. The global maps of the results illustrate the seasonal cycles of different vegetation types. In addition to the vegetation distribution on land, they also show patterns of biological activity in the oceans. Our results indicate that improved sets of vegetation spectra might lead to more accurate and more specific identification of vegetation type in the future.

  2. Mechanisms of CO2 Capture into Monoethanolamine Solution with Different CO2 Loading during the Absorption/Desorption Processes.

    PubMed

    Lv, Bihong; Guo, Bingsong; Zhou, Zuoming; Jing, Guohua

    2015-09-01

    Though the mechanism of MEA-CO2 system has been widely studied, there is few literature on the detailed mechanism of CO2 capture into MEA solution with different CO2 loading during absorption/desorption processes. To get a clear picture of the process mechanism, (13)C nuclear magnetic resonance (NMR) was used to analyze the reaction intermediates under different CO2 loadings and detailed mechanism on CO2 absorption and desorption in MEA was evaluated in this work. The results demonstrated that the CO2 absorption in MEA started with the formation of carbamate according to the zwitterion mechanism, followed by the hydration of CO2 to form HCO3(-)/CO3(2-), and accompanied by the hydrolysis of carbamate. It is interesting to find that the existence of carbamate will be influenced by CO2 loading and that it is rather unstable at high CO2 loading. At low CO2 loading, carbamate is formed fast by the reaction between CO2 and MEA. At high CO2 loading, it is formed by the reaction of CO3(-)/CO3(2-) with MEA, and the formed carbamate can be easily hydrolyzed by H(+). Moreover, CO2 desorption from the CO2-saturated MEA solution was proved to be a reverse process of absorption. Initially, some HCO3(-) were heated to release CO2 and other HCO3(-) were reacted with carbamic acid (MEAH(+)) to form carbamate, and the carbamate was then decomposed to MEA and CO2.

  3. Optical absorption in semiconductor quantum dots coupling to dispersive phonons of infinite modes

    NASA Astrophysics Data System (ADS)

    Ding, Zhiwen; Wang, Qin; Zheng, Hang

    2012-10-01

    Optical absorption spectrum of semiconductor quantum dot is investigated by means of an analytical approach based on the Green's function for different forms of coupling strength in an unified method by using the standard model with valence and conduction band levels coupled to dispersive quantum phonons of infinite modes. The analytical expression of the optical absorption coefficient in semiconductor quantum dots is obtained and by this expression the line shape and the peak position of the absorption spectrum are procured. The relation between the properties of absorption spectrum and the forms of coupling strength is clarified, which can be referenced for choosing the proper form of the coupling strength or spectral density to control the features of absorption spectrum of quantum dot. The coupling and confinement induced energy shift and intensity decrease in the absorption spectrum are determined precisely for a wide range of parameters. The results show that the activation energy of the optical absorption is reduced by the effect of exciton-phonon coupling and photons with lower frequencies could also be absorbed in absorption process. With increase of the coupling constant, the line shape of optical absorption spectrum broadens and the peak position moves to lower photon energy with a rapid decrease in intensity at the same time. Both the coupling induced red shift and the confinement induced blue shift conduce to decrease in the intensity of absorption spectrum. Furthermore, this method may have application potential to other confined quantum systems.

  4. Absorption and fluorescence properties of aryl substituted porphyrins in different media

    NASA Astrophysics Data System (ADS)

    Bozkurt, Serap Seyhan; Merdivan, Melek; Ayata, Sevda

    2010-02-01

    Absorption and fluorescence properties of aryl substituted porphyrins, 5,10,15,20-tetra-4-oxy(aceticacid)phenylporphyrin (TAPP), 5,10,15,20-tetra-(4-phenoxyphenyl) porphyrin (TPPP), 5,10,15,20-tetra-(3-bromo-4-hydroxyphenyl) porphyrin (TBHPP), and 5,10,15,20-tetra-p-chloromethylphenyl porphyrin (CMPP) were investigated. The UV/vis absorption, fluorescence and excited spectra as the fluorescence quantum yields and fluorescence lifetimes for the compounds were measured in organic solvents (chloroform (CHCl 3), tetrahydrofuran (THF)) and immobilized media (PVC film, sol-gel matrix). The fluorescence quantum yields of TAPP and TPPP were higher than the others. The fluorescence lifetimes of all studied porphyrin derivates were found to be fifty percent lower and their fluorescence intensities were increased fifty percent more in both of immobilized mediums, as compared to organic solvents.

  5. Sex Differences in the Default Mode Network with Regard to Autism Spectrum Traits: A Resting State fMRI Study.

    PubMed

    Jung, Minyoung; Mody, Maria; Saito, Daisuke N; Tomoda, Akemi; Okazawa, Hidehiko; Wada, Yuji; Kosaka, Hirotaka

    2015-01-01

    Autism spectrum traits exist on a continuum and are more common in males than in females, but the basis for this sex difference is unclear. To this end, the present study draws on the extreme male brain theory, investigating the relationship between sex difference and the default mode network (DMN), both known to be associated with autism spectrum traits. Resting-state functional magnetic resonance imaging (MRI) was carried out in 42 females (mean age ± standard deviation, 22.4 ± 4.2 years) and 43 males (mean age ± standard deviation, 23.8 ± 3.9 years) with typical development. Using a combination of different analyses (viz., independent component analysis (ICA), fractional amplitude of low-frequency fluctuation (fALFF), regional homogeneity (ReHo), and seed-based analyses), we examined sex differences in the DMN and the relationship to autism spectrum traits as measured by autism-spectrum quotient (AQ) scores. We found significant differences between female and male subjects in DMN brain regions, with seed-based analysis revealing a significant negative correlation between default-mode resting state functional connectivity of the anterior medial prefrontal cortex seed (aMPFC) and AQ scores in males. However, there were no relationships between DMN sex differences and autism spectrum traits in females. Our findings may provide important insight into the skewed balance of functional connectivity in males compared to females that could serve as a potential biomarker of the degree of autism spectrum traits in line with the extreme male brain theory.

  6. Self-consistent analysis of mobility-lifetime products and subgap absorption on different PECVD a-Si:H films

    SciTech Connect

    Jiao, L.; Semoushikina, S.; Lee, Y.; Wronski, C.R.

    1997-07-01

    The photoconductivity and subband gap absorption measurements over a wide range of generation rate(G) have been carried out on diluted and undiluted a-Si:H. It is found that in these high quality films there are significant differences in the functional dependence of mobility-lifetime ({micro}{tau}) products on G. In addition to the different values of subgap absorption ({alpha}) there are also distinct differences in the dependence of {alpha} on photon energy (E) as well as G. It is difficult to self consistently analyze the results on the undiluted film with the previously used three gaussian distribution, particularly at high generation rates. Self consistent analysis is obtained when the (+/0) transitions of negative charged defects and the (0/{minus}) transitions of positive charged defects are introduced respectively closer to the valence and conduction bands. This new gap state distribution is a better representation for the defect pool model and potential fluctuation model.

  7. Absorption Profile of (Poly)Phenolic Compounds after Consumption of Three Food Supplements Containing 36 Different Fruits, Vegetables, and Berries.

    PubMed

    Bresciani, Letizia; Martini, Daniela; Mena, Pedro; Tassotti, Michele; Calani, Luca; Brigati, Giacomo; Brighenti, Furio; Holasek, Sandra; Malliga, Daniela-Eugenia; Lamprecht, Manfred; Del Rio, Daniele

    2017-02-26

    The market of plant-based nutraceuticals and food supplements is continuously growing due to the increased consumer demand. The introduction of new products with relevant nutritional characteristics represents a new way of providing bioactive compounds and (poly)phenols to consumers, becoming a strategy to ideally guarantee the health benefits attributed to plant foodstuffs and allowing the increase of daily bioactive compound intake. A paramount step in the study of nutraceuticals is the evaluation of the bioavailability and metabolism of their putatively active components. Therefore, the aim of the present study was to investigate the absorption profile of the (poly)phenolic compounds contained in three different plant-based food supplements, made of 36 different plant matrices, which were consumed by 20 subjects in an open one-arm study design. Blood samples were collected at baseline and 1, 2, 5, and 10 h after capsule intake. Twenty quantifiable metabolites deriving from different (poly)phenolic compounds were identified. Results showed that the consumption of the three capsules allowed the effective absorption of several (poly)phenolic compounds and metabolites appearing at different times in plasma, thereby indicating different absorption profiles. The capsules thus ensured potential health-promoting molecules to be potentially available to target tissues and organs.

  8. Absorption Profile of (Poly)Phenolic Compounds after Consumption of Three Food Supplements Containing 36 Different Fruits, Vegetables, and Berries

    PubMed Central

    Bresciani, Letizia; Martini, Daniela; Mena, Pedro; Tassotti, Michele; Calani, Luca; Brigati, Giacomo; Brighenti, Furio; Holasek, Sandra; Malliga, Daniela-Eugenia; Lamprecht, Manfred; Del Rio, Daniele

    2017-01-01

    The market of plant-based nutraceuticals and food supplements is continuously growing due to the increased consumer demand. The introduction of new products with relevant nutritional characteristics represents a new way of providing bioactive compounds and (poly)phenols to consumers, becoming a strategy to ideally guarantee the health benefits attributed to plant foodstuffs and allowing the increase of daily bioactive compound intake. A paramount step in the study of nutraceuticals is the evaluation of the bioavailability and metabolism of their putatively active components. Therefore, the aim of the present study was to investigate the absorption profile of the (poly)phenolic compounds contained in three different plant-based food supplements, made of 36 different plant matrices, which were consumed by 20 subjects in an open one-arm study design. Blood samples were collected at baseline and 1, 2, 5, and 10 h after capsule intake. Twenty quantifiable metabolites deriving from different (poly)phenolic compounds were identified. Results showed that the consumption of the three capsules allowed the effective absorption of several (poly)phenolic compounds and metabolites appearing at different times in plasma, thereby indicating different absorption profiles. The capsules thus ensured potential health-promoting molecules to be potentially available to target tissues and organs. PMID:28245627

  9. Autism spectrum disorders: sex differences in autistic behaviour domains and coexisting psychopathology.

    PubMed

    Holtmann, Martin; Bölte, Sven; Poustka, Fritz

    2007-05-01

    The purpose of the present study was to examine possible differences between high-functioning males and females with autism spectrum disorder (ASD) regarding the core symptoms of autism and coexisting psychopathology. A total of 23 females and 23 males matched for age, IQ, and ASD diagnoses were recruited(mean age 11y 9mo [SD 4y 5mo], range 5y-20y 2mo) with an IQ above the range of learning disability (mean IQ 88.8 [SD 18.5], range 70-128). They were compared using the Autism Diagnostic Interview-Revised, the Autism Diagnostic Observation Schedule, and the Child Behavior Checklist/4-18. We did not identify striking differences between males and females for the triad of autism core dysfunctions (deficits in reciprocal social interaction, communication, and repetitive, stereotyped behaviours) as assessed by expert ratings. However, with regard to several domains of coexisting psychopathology, parent reports revealed significantly more symptoms in females than males, particularly social problems (t=4.47, p<0.01, d=1.20), attention problems (t=3.39, p<0.01, d=0.80), and thought problems (t=3.24, p<0.01, d=0.84). These results are discussed with possible interpreting bias by parents who may expect more socially desired behaviour from daughters than from sons. The severity of social and attention problems in high-functioning females with autism emphasizes the need for thorough assessments and interventions in these domains. Future research should compare the cognitive phenotype of autism between sexes.

  10. Clinical differences in children with autism spectrum disorder with and without food selectivity.

    PubMed

    Postorino, Valentina; Sanges, Veronica; Giovagnoli, Giulia; Fatta, Laura Maria; De Peppo, Lavinia; Armando, Marco; Vicari, Stefano; Mazzone, Luigi

    2015-09-01

    Several studies have described the atypical eating behaviors frequently occurring in children with Autism Spectrum Disorder (ASD), and food selectivity is the most frequent of these problems. The everyday management of mealtime behaviors among children with ASD can have a negative impact on family routines and become a significant stressor for families. However, much remains unknown about why food selectivity is so prevalent among individuals with ASD. The objective of this study was to investigate clinical and behavioral features in individuals with ASD with the aim of identifying distinctive clinical profiles in children with and without food selectivity. A total of 158 children with ASD were enrolled in this study: 79 participants with food selectivity (FS) were age and sex matched with 79 participants without food selectivity (No FS). All participants and their parents completed a battery of psychological tests for a comprehensive evaluation of ASD symptoms, cognitive abilities, adaptive skills, behavioral problems and parental stress level. No statistically significant difference on gastrointestinal symptoms and growth adequacy was found between the FS group and the No FS group. Overall, the FS group showed significantly higher rates of ASD symptoms as compared to the No FS group in the questionnaires completed by parents. Furthermore, parents of the FS group reported significantly higher levels of parental stress and a larger degree of their children's behavioral problems as compared to the No FS group. Finally, there were no differences between the FS and the No FS group on any adaptive skill domain. Our findings suggest that the identification of distinctive clinical and behavioral patterns in children with ASD and food selectivity is a crucial issue for parents and therapists in the daily management.

  11. Finite-Difference Time Domain Solution of Light Scattering and Absorption by Particles in an Absorbing Medium

    NASA Technical Reports Server (NTRS)

    Sun, W.; Loeb, N. G.; Fu, Q.

    2002-01-01

    The three-dimensional (3-D) finite-difference time-domain (FDTD) technique has been extended to simulate light scattering and absorption by nonspherical particles embedded in an absorbing dielectric medium. A uniaxial perfectly matched layer (UPML) absorbing boundary condition is used to truncate the computational domain. When computing the single-scattering properties of a particle in an absorbing dielectric medium, we derive the single-scattering properties including scattering phase functions, extinction, and absorption efficiencies using a volume integration of the internal field. A Mie solution for light scattering and absorption by spherical particles in an absorbing medium is used to examine the accuracy of the 3-D UPML FDTD code. It is found that the errors in the extinction and absorption efficiencies from the 3-D UPML FDTD are less than similar to 2%. The errors in the scattering phase functions are typically less than similar to 5%. The errors in the asymmetry factors are less than similar to 0.l%. For light scattering by particles in free space, the accuracy of the 3-D UPML FDTD scheme is similar to a previous model.

  12. Novel ratio difference at coabsorptive point spectrophotometric method for determination of components with wide variation in their absorptivities.

    PubMed

    Saad, Ahmed S; Abo-Talib, Nisreen F; El-Ghobashy, Mohamed R

    2016-01-05

    Different methods have been introduced to enhance selectivity of UV-spectrophotometry thus enabling accurate determination of co-formulated components, however mixtures whose components exhibit wide variation in absorptivities has been an obstacle against application of UV-spectrophotometry. The developed ratio difference at coabsorptive point method (RDC) represents a simple effective solution for the mentioned problem, where the additive property of light absorbance enabled the consideration of the two components as multiples of the lower absorptivity component at certain wavelength (coabsorptive point), at which their total concentration multiples could be determined, whereas the other component was selectively determined by applying the ratio difference method in a single step. Mixture of perindopril arginine (PA) and amlodipine besylate (AM) figures that problem, where the low absorptivity of PA relative to AM hinders selective spectrophotometric determination of PA. The developed method successfully determined both components in the overlapped region of their spectra with accuracy 99.39±1.60 and 100.51±1.21, for PA and AM, respectively. The method was validated as per the USP guidelines and showed no significant difference upon statistical comparison with reported chromatographic method.

  13. Plasmonic spectrum on 1D and 2D periodic arrays of rod-shape metal nanoparticle pairs with different core patterns for biosensor and solar cell applications

    NASA Astrophysics Data System (ADS)

    Kumara, N. T. R. N.; Chou Chau, Yuan-Fong; Huang, Jin-Wei; Huang, Hung Ji; Lin, Chun-Ting; Chiang, Hai-Pang

    2016-11-01

    Simulations of surface plasmon resonance (SPR) on the near field intensity and absorption spectra of one-dimensional (1D) and two-dimensional (2D) periodic arrays of rod-shape metal nanoparticle (MNP) pairs using the finite element method (FEM) and taking into account the different core patterns for biosensor and solar cell applications are investigated. A tunable optical spectrum corresponding to the transverse SPR modes is observed. The peak resonance wavelength (λ res) can be shifted to red as the core patterns in rod-shape MNPs have been changed. We find that the 2D periodic array of core-shell MNP pairs (case 2) exhibit a red shifted SPR that can be tuned the gap enhancement and absorption efficiency simultaneously over an extended wavelength range. The tunable optical performances give us a qualitative idea of the geometrical properties of the periodic array of rod-shape MNP pairs on SPRs that can be as a promising candidate for plasmonic biosensor and solar cell applications.

  14. Visible light absorption ability and photocatalytic oxidation activity of various interstitial N-doped TiO2 prepared from different nitrogen dopants.

    PubMed

    Ananpattarachai, Jirapat; Kajitvichyanukul, Puangrat; Seraphin, Supapan

    2009-08-30

    Nitrogen-doped TiO(2) was developed to enable photocatalytic reactions using the visible range of the solar spectrum. This work reports on the synthesis, characterisation and kinetic study of interstitial N-doped TiO(2) prepared by the sol-gel method using three different types of nitrogen dopants: diethanolamine, triethylamine and urea. X-ray diffraction, scanning electron microscopy, transmission electron microscopy, X-ray photoelectron spectroscopy and UV-visible spectroscopy were used to analyse the titania. Different interstitial N-doped TiO(2) properties, such as absorption ability in the UV-visible light region, redshift in adsorption edge, good crystallisation and composition ratio of titania structures (anatase and rutile) could be obtained from different nitrogen dopants. Amongst investigated nitrogen precursors, diethanolamine provided the highest visible light absorption ability of interstitial N-doped TiO(2) with the smallest energy bandgap and the smallest anatase crystal size, resulting in the highest efficiency in 2-chlorophenol degradation. The photocatalytic activity of all N-doped TiO(2) can be arranged in the following order: TiO(2)/diethanolamine>TiO(2)/triethylamine>TiO(2)/urea>un-doped TiO(2). The initial rate of 2-chlorophenol degradation using the interstitial N-doped TiO(2) with diethanolamine was 0.59 mg/L-min and the kinetic constant was 2.34 x 10(-2)min(-1) with a half-life of 98 min. In all cases, hydroquinone was detected as a major intermediate in the degradation of 2-chlorophenol.

  15. Absorption of different elemental diets in a short-bowel syndrome lasting 15 years.

    PubMed

    Simko, V; Linscheer, W G

    1976-05-01

    In a patient with total colectomy and only 120 cm of the proximal small bowel remaining after resection for Crohn's disease, comparative studies were performed on the absorption of isocaloric amounts of Vivonex HN, Flexical, Codelid, Jejunal, and Precision LR. These elemental and/or complete diets were fed by a nasogastric tube at a constant rate of 260 ml/hr, 1 cal/ml, 2185-2660 ml per feeding period of 8.4-10.2 hr daily. Discharge of intestinal fluids from the jejunal stoma ranged between 2940 ml (Vivonex HN) to 4760 ml (Jejunal) per daily feeding period, resulting in a net intestinal loss of fluids and dehydration with the exception of Flexical. Jejunostomy discharge on Flexical was only 1325 ml per comparable period. The patient tolerated dietary fat relatively well absorbing 61% of 87 g of fat from Flexical and 60% of 108 g from a natural blenderized diet. The other diets used were either fat-free or with a minimum amount of fat. The second best tolerated diet was Vivonex HN, the feeding of which resulted in the highest intestinal retention of nitrogen (84% of the 16.3 g fed as opposed to 78% of 9.1 g fed in Flexical). Vivonex HN also had the highest intestinal retention of phosphorus. Intestinal fluid absorption was not related to the intestinal transit time measured by a nonabsorbable marker or to the osmolality of diets. Diets containing fat may inhibit secretion by the "enterogastrone-like" effect induced by dietary fat in the remaining bowel. High amino acid content of some of the low-fat diets may release gastrointestinal hormones which stimulate secretion, and the simple carbohydrates prevent fluid absorption. In the short-bowel syndrome with normal functions of the pancreaticobiliary system, diets based on fat and protein hydrolysate should be the nutritional therapy of choice.

  16. Gender differences in autism spectrum disorders: Divergence among specific core symptoms.

    PubMed

    Beggiato, Anita; Peyre, Hugo; Maruani, Anna; Scheid, Isabelle; Rastam, Maria; Amsellem, Frederique; Gillberg, Carina I; Leboyer, Marion; Bourgeron, Thomas; Gillberg, Christopher; Delorme, Richard

    2016-11-03

    Community-based studies have consistently shown a sex ratio heavily skewed towards males in autism spectrum disorders (ASD). The factors underlying this predominance of males are largely unknown, but the way girls score on standardized categorical diagnostic tools might account for the underrecognition of ASD in girls. Despite the existence of different norms for boys and girls with ASD on several major screening tests, the algorithm of the Autism Diagnosis Interview-Revised (ADI-R) has not been reformulated. The aim of our study was to investigate which ADI-R items discriminate between males and females, and to evaluate their weighting in the final diagnosis of autism. We then conducted discriminant analysis (DA) on a sample of 594 probands including 129 females with ASD, recruited by the Paris Autism Research International Sibpair (PARIS) Study. A replication analysis was run on an independent sample of 1716 probands including 338 females with ASD, recruited through the Autism Genetics Resource Exchange (AGRE) program. Entering the raw scores for all ADI-R items as independent variables, the DA correctly classified 78.9% of males and 72.9% of females (P < 0.001) in the PARIS cohort, and 72.2% of males and 68.3% of females (P < 0.0001) in the AGRE cohort. Among the items extracted by the stepwise DA, four belonged to the ADI-R algorithm used for the final diagnosis of ASD. In conclusion, several items of the ADI-R that are taken into account in the diagnosis of autism significantly differentiates between males and females. The potential gender bias thus induced may participate in the underestimation of the prevalence of ASD in females. Autism Res 2016,. © 2016 International Society for Autism Research, Wiley Periodicals, Inc.

  17. Similarities and Differences in Decision-Making Impairments between Autism Spectrum Disorder and Schizophrenia

    PubMed Central

    Zhang, Long; Tang, Jiulai; Dong, Yi; Ji, Yifu; Tao, Rui; Liang, Zhitu; Chen, Jingsong; Wu, Yun; Wang, Kai

    2015-01-01

    Although individuals with autism spectrum disorders (ASD) and schizophrenia (SCH) share overlapping characteristics and may perform similarly on many cognitive tasks, cognitive dysfunctions common to both disorders do not necessarily share the same underlying mechanisms. Decision-making is currently a major research interest for both ASD and SCH. The aim of the present study was to make direct comparisons of decision-making and disorder-specific underlying neuropsychological mechanisms between the two disorders. Thirty-seven participants with ASD, 46 patients with SCH, and 80 healthy controls (HC) were assessed with the Iowa Gambling Task (IGT), which measures decision-making under ambiguity, and the Game of Dice Task (GDT), which measures decision-making under risk. The results revealed that both the ASD and SCH groups had deficits for both the IGT and the GDT compared with the HC. More importantly, in the IGT, participants with ASD displayed a preference for deck A, indicating that they had more sensitivity to the magnitude of loss than to the frequency of loss, whereas patients with SCH displayed a preference for deck B, indicating that they showed more sensitivity to the frequency of loss than to the magnitude of loss. In the GDT, the impaired performance might be due to the deficits in executive functions in patients with SCH, whereas the impaired performance might be due to the deficits in feedback processing in participants with ASD. These findings demonstrate that there are similar impairments in decision-making tasks between ASD and SCH; however, these two disorders may have different impairment mechanisms. PMID:26441583

  18. Comparison of absorption properties of colored dissolved organic matter in six different case 2 water bodies

    NASA Astrophysics Data System (ADS)

    Nima, Ciren; Frette, Øyvind; Hamre, Børge; Erga, Svein Rune; Chen, Yi-Chun; Zhao, Lu; Muyimbwa, Dennis; Ssenyonga, Taddeo; Ssebiyonga, Nicolausi; Okullo, Willy; Stamnes, Knut; Stamnes, Jakob J.

    2017-02-01

    Colored Dissolved Organic Matter (CDOM) is one of the main factors controlling the penetration of solar radiation in Case 2 water and affecting satellite-based estimation of ocean color. We present absorption properties of CDOM sampled in 6 water bodies including three in Norway (Røst coastal water, Samnangerfjord, Lysefjord), two in China (Bohai Sea, Lake Namtso), and one in Africa (Lake Victoria). These locations, which range from near the equator to subarctic regions, include water types from oligotrophic to eutrophic, and altitudes from sea level to 4,700 m above sea level.

  19. Electromagnetic Energy Absorption and Its Distribution for Man and Animals at Different Frequencies under Various Conditions.

    DTIC Science & Technology

    1978-11-01

    whole-body absorption for the other t ~o configurations (major length oriented along the direction of propagation (kil ) or along the (continued over) D...IFO1473 EDITION OF I NOV GS IS OBSOLETE SECURITY CLASSIFICATION Ol T IS DAGE (WhIn Data Antered) • L .. . . ... |R -.L..jITY CLASSIFICATION OF THIS...Gandhi, "Conditions of Strongest Electromagnetic Power Deposi- tion in Man and Animals", IE T !’ 7Ia’ract~nc on .ioraoe ,heoro and Techniques, Vol. MTT

  20. Influence of X-ray and polar cap absorptions on vertical and oblique sounding ionograms on different latitudes

    NASA Astrophysics Data System (ADS)

    Zaalov, N. Y.; Moskaleva, E. V.; Rogov, D. D.; Zernov, N. N.

    2015-12-01

    High frequency (HF) radio band is important for the long-range communications and over-the-horizon surveillance, particularly in the polar cap region where the ground infrastructure may be limited. However, the space weather events drastically affect the high frequency radio wave propagation so that the ability to provide now-casting and forecasting of HF radio wave absorption is important for users relying on the HF communications. During the space weather events such as solar proton events and X-ray flares the high-latitude ionosphere becomes a particularly efficient absorber of HF radio waves. There is therefore a need to develop accurate HF propagation prediction services. Absorption of the HF field caused by the X-ray flux, Solar Ultra-Violet flux and proton precipitations is investigated in this paper for the event of the solar flare observed on 11 April 2013. The effects of the X-ray flux and proton precipitations on the structure of the vertical and oblique ionograms for different latitudes are estimated. The simulation of the vertical and oblique ionograms was performed on the basis of the computational model of the ionosphere oriented to applications into the high frequency wave propagation problems. The absorption effects induced by the proton precipitations and X-ray flux are calculated according to the algorithm elaborated by Sauer and Wilkinson and D-region Absorption Model (D-RAP) available from the NOAA Space Weather Prediction Center. The simulated vertical and oblique ionograms with the absorption effects taken into account and the measured ionograms exhibit a fairly good similarity.

  1. Structural differences of prebiotic oligosaccharides influence their capability to enhance iron absorption in deficient rats.

    PubMed

    Laparra, José Moisés; Díez-Municio, Marina; Herrero, Miguel; Moreno, F Javier

    2014-10-01

    This study evaluates the influence of novel galacto-oligosaccharides derived from lactulose (GOS-Lu), kojibiose or 4'-galactosyl-kojibiose in hematological parameters of Fe homeostasis using Fe-deficient animals. Liver TfR-2, IL-6, NFκB and PPAR-γ expression (mRNA) were also determined by RT-qPCR analyses, and active hepcidin peptide production and short chain fatty acids by LC coupled to MS/MS or UV detection. Feeding animals with GOS-Lu or kojibiose together with FeCl3 increased hemoglobin (Hb) production (by 17%) and mean Hb concentration into erythrocytes relative to animals administered with FeCl3 alone (14.1% and 19.7%, respectively). Animals administered with prebiotics showed decreased plasmatic hepcidin levels, contributing to a higher intestinal absorption of the micronutrient. These data indicate that concurrent administration of these potentially prebiotic oligosaccharides together with a supplement of Fe ameliorates inflammation-mediated perturbations in the liver, according to the particular structure of the prebiotic compound, and result an attractive strategy to improve Fe absorption.

  2. Age Related Differences of Executive Functioning Problems in Everyday Life of Children and Adolescents in the Autism Spectrum

    ERIC Educational Resources Information Center

    van den Bergh, Sanne F. W. M.; Scheeren, Anke M.; Begeer, Sander; Koot, Hans M.; Geurts, Hilde M.

    2014-01-01

    Numerous studies investigated executive functioning (EF) problems in people with autism spectrum disorders (ASD) using laboratory EF tasks. As laboratory task performances often differ from real life observations, the current study focused on EF in everyday life of 118 children and adolescents with ASD (6-18 years). We investigated age-related and…

  3. Narratives of Girls and Boys with Autism Spectrum Disorders: Gender Differences in Narrative Competence and Internal State Language

    ERIC Educational Resources Information Center

    Kauschke, Christina; van der Beek, Bettina; Kamp-Becker, Inge

    2016-01-01

    Since gender differences in the symptomatology of autism spectrum disorder (ASD) are not well understood, the current study examines the communicative skills of males and females with ASD. Narrative competence and internal state language (ISL) was investigated using narrations elicited by a wordless picture book. 11 girls and 11 boys with ASD and…

  4. Age Differences in Emergency Department Visits and Inpatient Hospitalizations in Preadolescent and Adolescent Youth with Autism Spectrum Disorders

    ERIC Educational Resources Information Center

    Schlenz, Alyssa M.; Carpenter, Laura A.; Bradley, Catherine; Charles, Jane; Boan, Andrea

    2015-01-01

    This paper evaluated age differences in emergency department care and inpatient hospitalizations in 252 preadolescent and adolescent youth with autism spectrum disorders (ASDs; ages 9-18). Records from youth with ASDs were linked to acute care utilization records and were compared to a demographically similar comparison group of youth without ASDs…

  5. Sex Differences in Autism Spectrum Disorder: An Examination of Developmental Functioning, Autistic Symptoms, and Coexisting Behavior Problems in Toddlers

    ERIC Educational Resources Information Center

    Hartley, Sigan L.; Sikora, Darryn M.

    2009-01-01

    Little is known about the female presentation of autism spectrum disorder (ASD) during early childhood. We investigated sex differences in developmental profiles using the Mullen Scales of Early Learning, autistic symptoms on the ADOS-G, and coexisting behavior problems on the CBCL in 157 boys and 42 girls with ASD aged 1.5-3.9 years. Overall,…

  6. Simulation théorique du spectre d'absorption UV du carbazole et de quelques molécules analogues. Theoretical simulation of UV absorption spectrum of carbazole and some homocyclic analogues

    NASA Astrophysics Data System (ADS)

    Kabouchi, B.; Kenfack Assongo, C.; Cazeau-Dubroca, C.

    2001-04-01

    The UV absorption spectra structures of carbazole, fluorene and dibenzofurane are studied using the atom monopole-dipole interaction (AMDI) model and atomic dipolar polarisabilities and effective charge given by Fraga. The absorption spectra corresponding to these molecules and their self-associations are presented. The original obtained results are discussed and compared to previous works.

  7. Molar Absorptivity Measurements in Absorbing Solvents: Impact on Solvent Absorptivity Values.

    PubMed

    Bohman, Ariel; Arnold, Mark A

    2016-10-18

    Molar absorptivity is a fundamental molecular property that quantifies absorption strength as a function of wavelength. Absolute measurements of molar absorptivity demand accounting for all mechanisms of light attenuation, including reflective losses at interfaces associated with the sample. Ideally, such measurements are performed in nonabsorbing solvents and reflective losses can be determined in a straightforward manner from Fresnel equations or effectively accounted for by path length difference methods. At near-infrared wavelengths, however, many solvents, including water, are absorbing which complicates the quantification of reflective losses. Here, generalized equations are developed for calculating absolute molar absorptivities of neat liquids wherein the dependency of reflective loss on absorption properties of the liquid are considered explicitly. The resulting equations are used to characterize sensitivity of absolute molar absorptivity measurements for solvents to the absorption strength of the solvent as well as the path length of the measurement. Methods are derived from these equations to properly account for reflective losses in general and the effectiveness of these methods is demonstrated for absolute molar absorptivity measurements for water over the combination region (5000-4000 cm(-1)) of the near-infrared spectrum. Results indicate that ignoring solvent absorption effects can incorporate wide ranging systematic errors depending upon experimental conditions. As an example, systematic errors range from 0 to 10% for common conditions used in the measurement of absolute molar absorptivity of water over the combination region of the near-infrared spectrum.

  8. Infrared absorption band in deformed qtz crystals analyzed by combining different microstructural methods

    NASA Astrophysics Data System (ADS)

    Stunitz, Holger; Thust, Anja; Behrens, Harald; Heilbronner, Renee; Kilian, Ruediger

    2016-04-01

    Natural single crystals of quartz have been experimentally deformed in two orientations: (1) normal to one prism-plane, (2) In O+ orientation at temperatures of 900 and 1000°C, pressures of 1.0 and 1.5 GPa, and strain rates of ~1 x 10-6s-1. The starting material is milky quartz, consisting of dry quartz (H2O contents of <150 H/106Si) with fluid inclusions (FI). During pressurization many FÍs decrepitate. Cracks heal and small neonate FÍs form, increasing the number of FÍs drastically. During subsequent deformation, the size of FÍs is further reduced (down to ~10 nm). Sample deformation occurs by dominant dislocation glide on selected slip systems, accompanied by some dynamic recovery. Strongly deformed regions show FTIR spectra with a pointed broad absorption band in the ~3400 cm-1 region as a superposition of molecular H2O bands and three discrete absorption bands (at 3367, 3400, and 3434 cm-1). In addition, there is a discrete absorption band at 3585 cm-1, which only occurs in deformed regions. The 3585 cm-1 band is reduced or even disappears after annealing. This band is polarized and represents structurally bound H, its H-content is estimated to be 1-3% of the total H2O-content and appears to be associated with dislocations. The H2O weakening effect in our FI-bearing natural quartz crystals is assigned to the processes of dislocation generation and multiplication at small FÍs. The deformation processes in these crystals represent a recycling of H2O between FÍs, dislocation generation at very small fluid inclusions, incorporation of structurally bound H into dislocation cores, and release of H2O from dislocations back into FÍs during recovery. Cracking and crack healing play an important role in the recycling process and imply a close interrelationship between brittle and crystal plastic deformation. The H2O weakening by this process is of a disequilibrium nature and thus depends on the amount of H2O available.

  9. Review of Gender Differences in Core Symptomatology in Autism Spectrum Disorders

    ERIC Educational Resources Information Center

    Rivet, Tessa Taylor; Matson, Johnny L.

    2011-01-01

    A preponderance of males with autism spectrum disorders (ASD) has been evident since the initial writings on the topic. This male predominance has consistently emerged in all ASD research to date in epidemiological as well as clinical populations. Despite this long recognized gender disparity in ASD, surprisingly there is a paucity of research…

  10. Examination of Adaptive Behavior Differences in Adults with Autism Spectrum Disorders and Intellectual Disability

    ERIC Educational Resources Information Center

    Matson, Johnny L.; Rivet, Tessa T.; Fodstad, Jill C.; Dempsey, Timothy; Boisjoli, Jessica A.

    2009-01-01

    Autism spectrum disorders (ASD) and intellectual disabilities (ID) are high prevalence developmental disabilities that co-occur at high rates. Furthermore, Axis I psychopathology is known to occur more frequently in individuals with ID than the general population. The problems are lifelong and can be major impediments to independent living.…

  11. Diagnosis Lost: Differences between Children Who Had and Who Currently Have an Autism Spectrum Disorder Diagnosis

    ERIC Educational Resources Information Center

    Blumberg, Stephen J.; Zablotsky, Benjamin; Avila, Rosa M.; Colpe, Lisa J.; Pringle, Beverly A.; Kogan, Michael D.

    2016-01-01

    Autism spectrum disorder diagnoses sometimes change due to misdiagnosis, maturation, or treatment. This study uses a probability-based national survey--the Survey of Pathways to Diagnosis and Services--to compare currently diagnosed (n = 1,420) and previously diagnosed (n = 187) children aged 6-17 years based on retrospective parental reports of…

  12. Cognitive, Adaptive, and Psychosocial Differences between High Ability Youth with and without Autism Spectrum Disorder

    ERIC Educational Resources Information Center

    Doobay, Alissa F.; Foley-Nicpon, Megan; Ali, Saba R.; Assouline, Susan G.

    2014-01-01

    Research on Autism Spectrum Disorder (ASD) is thriving; however, scant empirical research has investigated how ASD manifests in high ability youth. Further research is necessary to accurately differentiate high ability students with ASD from those without the disorder, and thus decrease the risk of misdiagnosis. The purpose of the present study is…

  13. Scan Path Differences and Similarities during Emotion Perception in Those with and without Autism Spectrum Disorders

    ERIC Educational Resources Information Center

    Rutherford, M. D.; Towns, Ashley M.

    2008-01-01

    Typical adults use predictable scan patterns while observing faces. Some research suggests that people with autism spectrum disorders (ASD) instead attend to eyes less, and perhaps to the mouth more. The current experiment was designed as a direct measure of scan paths that people with and without ASD use when identifying simple and complex…

  14. A Preliminary Study of Gender Differences in Autobiographical Memory in Children with an Autism Spectrum Disorder

    ERIC Educational Resources Information Center

    Goddard, Lorna; Dritschel, Barbara; Howlin, Patricia

    2014-01-01

    Autobiographical memory was assessed in 24 children (12 male, 12 female, aged between 8 and 16 years) with autism spectrum disorder (ASD) and a comparison group of 24 typically developing (TD) children matched for age, IQ, gender and receptive language. Results suggested that a deficit in specific memory retrieval in the ASD group was more…

  15. Lexical Effects on Children's Speech Processing: Individual Differences Reflected in the Autism-Spectrum Quotient (AQ)

    ERIC Educational Resources Information Center

    Ota, Mitsuhiko; Stewart, Mary E.; Petrou, Alexandra M.; Dickie, Catherine

    2015-01-01

    Purpose: This study was undertaken to examine whether children exhibit the same relationship that adults show between lexical influence on phoneme identification and individual variation on the Autism-Spectrum Quotient (AQ). Method: Data from 62 4- to 7-year-olds with no diagnosis of autism were analyzed. The main task involved identification of…

  16. Cognitive Ability Is Associated with Different Outcome Trajectories in Autism Spectrum Disorders

    ERIC Educational Resources Information Center

    Ben-Itzchak, Esther; Watson, Linda R.; Zachor, Ditza A.

    2014-01-01

    Variability in clinical expression and in intervention outcome has been described in autism spectrum disorder (ASD). The study examined progress after 1 and 2 years of intervention and compared the impact of baseline cognitive ability on outcome trajectories in 46 children (m = 25.5 months) with ASD. The entire group showed a gradual decrease in…

  17. Different Verbal Learning Strategies in Autism Spectrum Disorder: Evidence from the Rey Auditory Verbal Learning Test

    ERIC Educational Resources Information Center

    Bowler, Dermot M.; Limoges, Elyse; Mottron, Laurent

    2009-01-01

    The Rey Auditory Verbal Learning Test, which requires the free recall of the same list of 15 unrelated words over 5 trials, was administered to 21 high-functioning adolescents and adults with autism spectrum disorder (ASD) and 21 matched typical individuals. The groups showed similar overall levels of free recall, rates of learning over trials and…

  18. Gender Differences in Co-Morbid Psychopathology and Clinical Management in Adults with Autism Spectrum Disorders

    ERIC Educational Resources Information Center

    Tsakanikos, Elias; Underwood, Lisa; Kravariti, Eugenia; Bouras, Nick; McCarthy, Jane

    2011-01-01

    The present study examined rates of co-morbid psychopathology and clinical management/care pathways in adult females (N = 50) and males (N = 100) with autism spectrum disorders (ASD) and intellectual disability (ID) living in community settings. We also compared a sub-sample (N = 60) with ASD to an age-, gender- and ID-matched control group (N =…

  19. Cortisol Responsivity Differences in Children with Autism Spectrum Disorders during Free and Cooperative Play

    ERIC Educational Resources Information Center

    Schupp, Clayton W.; Simon, David; Corbett, Blythe A.

    2013-01-01

    Children with autism spectrum disorder (ASD) demonstrate significant heterogeneity in their profiles of social interaction and stress responsivity. We evaluated behavior and stress response in 52 male children ages 8-12 in a naturalistic playground interaction paradigm involving a child with ASD, a typically developing peer, and a same-age…

  20. Narrowly versus Broadly Defined Autism Spectrum Disorders: Differences in Pre-and Perinatal Risk Factors

    ERIC Educational Resources Information Center

    Visser, Janne C.; Rommelse, Nanda; Vink, Lianne; Schrieken, Margo; Oosterling, Iris J.; Gaag, Rutger J.; Buitelaar, Jan K.

    2014-01-01

    This study examined the differential contribution of pre-and perinatal risks in narrowly versus broadly defined autism spectrum disorder (ASD) and across core symptom domains, IQ and co-morbid problems. Children with a DSM-IV diagnosis of autistic disorder (AD) (n = 121) or pervasive developmental disorder not otherwise specified (PDD-NOS)…

  1. Sex Differences in Internalizing Problems during Adolescence in Autism Spectrum Disorder

    ERIC Educational Resources Information Center

    Oswald, Tasha M.; Winter-Messiers, Mary Ann; Gibson, Brandon; Schmidt, Alexandra M.; Herr, Cynthia M.; Solomon, Marjorie

    2016-01-01

    We hypothesized that the double hit conferred by sex and diagnosis increases the risk for internalizing disorders in adolescent females with autism spectrum disorder (ASD). In a sample of 32 adolescents with ASD and 32 controls, we examined the effects of sex, diagnostic factors, and developmental stages on depression and anxiety. A 3-way…

  2. Does Nutritional Intake Differ between Children with Autism Spectrum Disorders and Children with Typical Development?

    ERIC Educational Resources Information Center

    Herndon, Alison C.; DiGuiseppi, Carolyn; Johnson, Susan L.; Leiferman, Jenn; Reynolds, Ann

    2009-01-01

    Consumption of macro- and micronutrients and food group servings by children with autism spectrum disorders (ASDs; n = 46) and typical development (n = 31) were compared using 3-day diet records. Children with ASDs consumed significantly more vitamin B6 and E and non-dairy protein servings, less calcium, and fewer dairy servings (p less than…

  3. Widespread White Matter Differences in Children and Adolescents with Autism Spectrum Disorder

    ERIC Educational Resources Information Center

    Vogan, V. M.; Morgan, B. R.; Leung, R. C.; Anagnostou, E.; Doyle-Thomas, K.; Taylor, M. J.

    2016-01-01

    Diffusion tensor imaging studies show white matter (WM) abnormalities in children with autism spectrum disorder (ASD). However, investigations are often limited by small samples, particularly problematic given the heterogeneity of ASD. We explored WM using DTI in a large sample of 130 children and adolescents (7-15 years) with and without ASD,…

  4. Sensitivity to Differences between Enjoyment and Non-Enjoyment Smiles in Children with Autism Spectrum Disorder

    ERIC Educational Resources Information Center

    Blampied, Meredith; Johnston, Lucy; Miles, Lynden; Liberty, Kathleen

    2010-01-01

    The sensitivity of male children (5-15 years) with and without autism spectrum disorder (ASD) to the affective state of others was tested using an emotion recognition task. Only children without ASD could reliably differentiate between enjoyment and non-enjoyment smiles. Results are considered in terms of the social impairments of children with…

  5. Young Children with Autism Spectrum Disorder Look Differently at Positive versus Negative Emotional Faces

    ERIC Educational Resources Information Center

    de Wit, Tessa C. J.; Falck-Ytter, Terje; von Hofsten, Claes

    2008-01-01

    One of the core issues in Autism Spectrum Disorder (ASD) is problematic social interaction, which for an important part is reflected by poor processing of emotional information. Typically, adults show specific viewing patterns while scanning positive and negative emotional expressions in faces. In this study, we investigated whether the same…

  6. Photo-absorption sum rules σ-1 in different environments (Atoms, nuclei, nucleons)

    NASA Astrophysics Data System (ADS)

    Gerasimov, S. B.

    2017-01-01

    Combining the spin-dependent dispersion GDH-sum rule, the isotopic-spin-dependent Cabibbo-Radicati sum rule, and the relativistic dipole-moment-fluctuation (i.e. generalized Gottfried) sum rule with the three valence quark configuration of nucleons taken into account for the composition of the ground and the excited states of the nucleon, the relevant moments of the distribution and correlation functions of the quark electric dipole moment operators in the nucleon ground state are expressed via the experimentally measurable nucleon resonance photo-excitation amplitudes.These functions are of interest for checking detailed quark-configuration structure of the nucleon state vector. Within the non-relativistic approach to photo-absorption sum rules for the 3N-nuclei a new σ-1 sum rule proposed which is based on general charge-symmetry (CS) consequences for the "CS-conjugated" triton and 3He.

  7. Solvent Effects on the Absorption Spectra of the para-Coumaric Acid Chromophore in Its Different Protonation Forms.

    PubMed

    García-Prieto, Francisco F; Galván, Ignacio Fdez; Muñoz-Losa, Aurora; Aguilar, Manuel A; Martín, M Elena

    2013-10-08

    The effects of the solvent and protonation state on the electronic absorption spectrum of the para-coumaric acid (pCA), a model of the photoactive yellow protein (PYP), have been studied using the ASEP/MD (averaged solvent electrostatic potential from molecular dynamics) method. Even though, in the protein, the chromophore is assumed to be in its phenolate monoanionic form, when it is found in water solution pH control can favor neutral, monoanionic, and dianionic species. As the pCA has two hydrogens susceptible of deprotonation, both carboxylate and phenolate monoanions are possible. Their relative stabilities are strongly dependent on the medium. In gas phase, the most stable isomer is the phenolate while in aqueous solution it is the carboxylate, although the population of the phenolate form is not negligible. The s-cis, s-trans, syn, and anti conformers have also been included in the study. Electronic excited states of the chromophore have been characterized by SA-CAS(14,12)-PT2/cc-pVDZ level of theory. The bright state corresponds, in all the cases, to a π → π* transition involving a charge displacement in the system. The magnitude and direction of this displacement depends on the protonation state and on the environment (gas phase or solution). In the same way, the calculated solvatochromic shift of the absorption maximum depends on the studied form, being a red shift for the neutral, carboxylate monoanion, and dianionic chromophores and a blue shift for the phenolate monoanion. Finally, the contribution that the solvent electronic polarizability has on the solvent shift was analyzed. It represents a very important part of the total solvent shift in the neutral form, but its contribution is completly negligible in the mono- and dianionic forms.

  8. Different Zinc Sources Have Diverse Impacts on Gene Expression of Zinc Absorption Related Transporters in Intestinal Porcine Epithelial Cells.

    PubMed

    Huang, Danping; Zhuo, Zhao; Fang, Shenglin; Yue, Min; Feng, Jie

    2016-10-01

    This study was conducted to investigate the effects of zinc sources on gene expression of zinc-related transporters in intestinal porcine epithelial cells (IPEC-1). IPEC-1 cells were treated with zinc glycine chelate (Zn-Gly), zinc methionine (Zn-Met), and zinc sulfate (ZnSO4), respectively, for measurement of cell viability. Then, the relative expression of zinc-related transporters in IPEC-1 in response to different zinc sources (50 μmol/L zinc) was measured. Zinc transporter SLC39A4 (ZIP4) expression was selectively silenced to assess the function of ZIP4 in inorganic and organic zinc absorption. The result showed that Zn-Gly and Zn-Met had lower cell damage compared with ZnSO4 on the same zinc levels. Different zinc sources improved the expression of metallothionein1 (MT1) and zinc transporter SLC30A1 (ZnT1) messenger RNA (mRNA) compared with the control (P < 0.05), while ZIP4 decreased (P < 0.05) in response to zinc addition. MT1 and ZnT1 mRNA expressions in Zn-Gly and Zn-Met were higher than those in ZnSO4, and ZIP4 mRNA expression in Zn-Met was the lowest among three kinds of zinc sources (P < 0.05). Expression of divalent metal transporter 1 (DMT1) mRNA in control was significantly higher (P < 0.05) than added different zinc sources groups. Silencing of ZIP4 significantly decreased MT1 mRNA expression in ZnSO4 and Zn-Gly treatments, reduced zinc absorption rate, and increased DMT1 mRNA expression in ZnSO4 compared with negative control. In summary, different zinc sources could improve zinc status on IPEC-1 cells and organic zinc had lower cell damage compared with ZnSO4. Moreover, Zn-Gly and Zn-Met are more efficient on zinc absorption according to the expression of various zinc-related transporters MT1, ZIP4, ZnT1, and DMT1. ZIP4 played a direct role in inorganic zinc uptake, and the absorption of zinc in Zn-Gly depends on ZIP4 partly, while absorption of Zn-Met is less dependent on ZIP4.

  9. The Impacts of Different Expansion Modes on Performance of Small Solar Energy Firms: Perspectives of Absorptive Capacity

    PubMed Central

    Chen, Hsing Hung; Shen, Tao; Xu, Xin-long; Ma, Chao

    2013-01-01

    The characteristics of firm's expansion by differentiated products and diversified products are quite different. However, the study employing absorptive capacity to examine the impacts of different modes of expansion on performance of small solar energy firms has never been discussed before. Then, a conceptual model to analyze the tension between strategies and corporate performance is proposed to filling the vacancy. After practical investigation, the results show that stronger organizational institutions help small solar energy firms expanded by differentiated products increase consistency between strategies and corporate performance; oppositely, stronger working attitudes with weak management controls help small solar energy firms expanded by diversified products reduce variance between strategies and corporate performance. PMID:24453837

  10. Accurately computing the optical pathlength difference for a michelson interferometer with minimal knowledge of the source spectrum.

    PubMed

    Milman, Mark H

    2005-12-01

    Astrometric measurements using stellar interferometry rely on precise measurement of the central white light fringe to accurately obtain the optical pathlength difference of incoming starlight to the two arms of the interferometer. One standard approach to stellar interferometry uses a channeled spectrum to determine phases at a number of different wavelengths that are then converted to the pathlength delay. When throughput is low these channels are broadened to improve the signal-to-noise ratio. Ultimately the ability to use monochromatic models and algorithms in each of the channels to extract phase becomes problematic and knowledge of the spectrum must be incorporated to achieve the accuracies required of the astrometric measurements. To accomplish this an optimization problem is posed to estimate simultaneously the pathlength delay and spectrum of the source. Moreover, the nature of the parameterization of the spectrum that is introduced circumvents the need to solve directly for these parameters so that the optimization problem reduces to a scalar problem in just the pathlength delay variable. A number of examples are given to show the robustness of the approach.

  11. [Using ultraviolet-visible ( UV-Vis) absorption spectrum to estimate the dissolved organic matter (DOM) concentration in water, soils and sediments of typical water-level fluctuation zones of the Three Gorges Reservoir areas].

    PubMed

    Li, Lu-lu; Jiang, Tao; Lu, Song; Yan, Jin-long; Gao, Jie; Wei, Shi-qiang; Wang, Ding-yong; Guo, Nian; Zhao, Zhena

    2014-09-01

    Dissolved organic matter (DOM) is a very important component in terrestrial ecosystem. Chromophoric dissolved organic matter (CDOM) is a significant constituent of DOM, which can be measured by ultraviolet-visible (UV-Vis) absorption spectrum. Thus the relationship between CDOM and DOM was investigated and established by several types of models including single-wavelength model, double-wavelength model, absorption spectrum slope (S value) model and three-wavelength model, based on the UV-Vis absorption coefficients of soil and sediment samples (sampled in July of 2012) and water samples (sampled in November of 2012) respectively. The results suggested that the three-wavelength model was the best for fitting, and the determination coefficients of water, soil and sediment data were 0. 788, 0. 933 and 0. 856, respectively. Meanwhile, the nominal best model was validated with the UV-Vis data of 32 soil samples and 36 water samples randomly collected in 2013, showing the RRMSE and MRE were 16. 5% and 16. 9% respectively for soil DOM samples, 10. 32% and 9. 06% respectively for water DOM samples, which further suggested the prediction accuracy was higher in water DOM samples as compared with that in soil DOM samples.

  12. Difference Between Far-Infrared Photoconductivity Spectroscopy and Absorption Spectroscopy: Theoretical Evidence of the Electron Reservoir Mechanism

    NASA Astrophysics Data System (ADS)

    Toyoda, Tadashi; Fujita, Maho; Uchida, Tomohisa; Hiraiwa, Nobuyoshi; Fukuda, Taturo; Koizumi, Hideki; Zhang, Chao

    2013-08-01

    The intriguing difference between far-infrared photoconductivity spectroscopy and absorption spectroscopy in the measurement of the magnetoplasmon frequency in GaAs quantum wells reported by Holland et al. [Phys. Rev. Lett. 93, 186804 (2004)] remains unexplained to date. This Letter provides a consistent mechanism to solve this puzzle. The mechanism is based on the electron reservoir model for the integer quantum Hall effect in graphene [Phys. Lett. A 376, 616 (2012)]. We predict sharp kinks to appear in the magnetic induction dependence of the magnetoplasmon frequency at very low temperatures such as 14 mK in the same GaAs quantum well sample used by Holland et al..

  13. Molar absorptivities of glucose and other biological molecules in aqueous solutions over the first overtone and combination regions of the near-infrared spectrum.

    PubMed

    Amerov, Airat K; Chen, Jun; Arnold, Mark A

    2004-10-01

    Molar absorptivities are measured for water, glucose, alanine, ascorbate, lactate, triacetin, and urea in the near-infrared spectral region at 37 degrees C. Values are based on the Beer-Lambert law and cover the first overtone (1550-1850 nm; 6450-5400 cm(-1)) and combination (2000-2500 nm; 4000-5000 cm(-1)) spectral windows through aqueous media. Accurate calculations demand accounting for the impact of water displacement upon dissolution of solute. In this regard, water displacement coefficients are measured and reported for each solute. First overtone absorptivities range from 2 to 7 x 10(-5) mM(-1)mm(-1) for all solutes except urea, for which absorptivity values are below 0.5 x 10(-5) mM(-1) mm(-1) across this spectral range. Molar absorptivities over the combination spectral region range from 0.8 to 3.2 x 10(-4) mM(-1) mm(-1), which is a factor of four to five greater than the first overtone absorptivities. Accuracy of the measured values is assessed by comparing calculated or modeled spectra with spectra measured from standard solutions. This comparison reveals accurately modeled spectra in terms of magnitude and position of solute absorption bands. Both actual and modeled spectra from glucose solutions reveal positive and negative absorbance values depending on the measurement wavelength. It is shown that the net absorbance of light is controlled by the magnitude of the absorptivity of glucose compared to the product of the absorptivity of water and the water displacement coefficient for glucose.

  14. Determination of water absorption and water holding capacities of different soil mixtures with MINIDRAIN system to enhance the plant growth

    NASA Astrophysics Data System (ADS)

    Sudan Acharya, Madhu; Rauchecker, Markus; Wu, Wei

    2014-05-01

    Soil water holding capacity is the amount of water that a given soil can hold against the force of gravity. Soil texture and organic matter are the key components that determine soil water holding capacity. Soils with smaller particle sizes, such as silt and clay have larger surface area can hold more water compared to sand which has large particle sizes which results in smaller surface area. A study report showed that 1% increase in soil humus will result in a 4% increase in stored soil water (Morris, 2004) and 1 part humus holds 4 parts of water (Wheeler and Ward, 1998). Therefore, the more humus that can be added to the soil, the greater the water holding capacity of the soil. As the level of organic matter increases in a soil, the water holding capacity also increases due to the affinity of organic matter for water. The water holding capacity of the soil is determined by the amount of water held in the soil sample vs. the dry weight of the sample. MINIDRAIN is a patented system made of geo-fabric (fleece) or combination of geosynthetics and humus. MINIDRAIN and vegetation nets developed by the company ÖKO-TEX (Linz, Austria) will improve the distribution of water and air in the soils, increase the growth of vegetation and reduce the soil erosion. Depending on the physical configuration, there are four different combinations of MINIDRAIN systems developed by ÖKO-TEX. a) Geotextile (fleece) strips of different sizes (e.g. 5x10x250 mm) b) Net formed strips (drainage nets) of different sizes c) Multilayer geotextile mats with humus, seeds or compost of different sizes (e.g. 10x30x200 mm) d) Multilayer geotextile net formed mats with humus, seeds or compost This paper describes the experimental results of the water absorption and water holding capacity of different forms of MINIDRAIN under different soil mixes. In this experiment, potting soil, coarse sand and LECA (Light weight clay aggregates) balls are mixed with different proportion of MINIDRAIN systems and

  15. The ultraviolet spectrum of the gravitational lens candidate UM 425 = QSO 1120+019: Evidence for broad absorption line (BAL) structure

    NASA Technical Reports Server (NTRS)

    Michelitsianos, A. G.; Oliversen, R. J.

    1995-01-01

    The UV line profile structure of high-ionization resonance lines found with the International Ultraviolet Explorer (IUE) in the brightest of four multiply imaged sources (images-A) in the candidate gravitational lens UM 425 = QSO 1120+019 indicates broad absorption line (BAL) structure. The deep-broad trough associated with the O IV line extends to velocities approiximately -12,000 km/s, and contains disrete features that suggest multicomponent velocity structure. This structure may include contributions from C IV absorption from the early-type galaxy that is believed to lens UM 425. A strong absorption feature in the blue wing of the Lyman-alpha lambda 1216 emission line may be a Lyman alpha absorption system at a Z(sub Ly alpha) = 1.437 +/- 0.003, or it may be formed by the superposition of the broad N V lambda lambda 1238, 1242 absorption trough on the extended blue emission wing of the QSO Lyman-alpha line. We obtained a redshift of Z(sub QSO) = 1.471 +/- 0.003 from Lyman-alpha lambda 1215, consistent with the redshift found by Meylan and Djorgovski in the optical. The Lyman-alpha line appears unusally weak due to the presence of N V lambda 1240 BAL absorption. A Lyman-limit absorption system at lambda 912 was not observed in the QSO rest frame. The detection of BAL structure in the other weaker ground-state resonance lines of N II (l) and S IV (l) was not found, suggesting these lines are formed in a region that is distinct from the BAL component. Detection of BAL structure in the other fainter images in this system with Hubble Space Telescope (HST) instrumentation, similar to structure observed here in image A, could provide evidence that UM 425 is a gravitational lens.

  16. Ingestion and absorption of particles derived from different macrophyta in the cockle Cerastoderma edule: effects of food ration.

    PubMed

    Arambalza, U; Ibarrola, I; Navarro, E; Urrutia, M B

    2014-02-01

    We analyzed the capacity of the common cockle Cerastoderma edule to utilize detrital food particles obtained from three different macrophytes: the vascular plant Juncus maritimus and two green macroalgae (Ulva lactuca and Enteromorpha sp.). We measured feeding and digestive parameters at three concentrations of detritus (0.5, 1.0 and 3.0 mm(3) l(-1)), so that functional relationships between ingestive and digestive processes could be assessed. Increasing concentrations of detritus (food) resulted in a reduction in filtering activity (clearance rate l h(-1)), but an increase in ingestion rate. Consequently, gut content also increased with increasing food concentration, irrespective of food type. In contrast, the trend followed by absorption efficiency with increasing ingestion rate was determined by food type, being significantly reduced (from 0.63 to 0.11) with Juncus but remaining almost constant with the green macroalgae (0.58 ± 0.07 with Ulva) or only minimally reduced (from 0.66 to 0.48 with Enteromorpha). This differential response had clear consequences for energy uptake: absorption rate increased with increasing particulate organic matter with Enteromorpha but decreased with Juncus. We discuss the possible role of digestive parameters such as digestibility, gut content and gut-residence time in the differential utilization of detrital matter from different vegetal origins by cockles.

  17. The first UV absorption band for indole is not due to two simultaneous orthogonal electronic transitions differing in dipole moment.

    PubMed

    Catalán, Javier

    2015-05-21

    The currently accepted model for the photophysics of indole assumes that the first UV absorption band encompasses two orthogonal electronic transitions ((1)Lb and (1)La), leading to two electronic states with a markedly different dipole moment. However, there is a body of evidence not explained by this model, which led us to develop a new photophysical model for indole. Based on the new model, the polarity of the electronic ground state (S0) in indoles is very similar to that of the first electronic excited state (S1) producing this structured emission; however, this excited state can lead to a highly dipolar excited state (S1') with largely structureless emission under the influence of the polarity of the medium, and also, very likely, of its viscosity. The molecular structure of the new excited state can be reversibly converted into the normal structure of the compound. Previous observations were confirmed by the absorption, emission, and excitation spectra for indole, as well as by its polarized emission and excitation spectra in various media. Thus, the polarized emission spectra for indole in glycerol at 283 K and 223 K showed the transition dipole moments for the emission from the first two excited states in a polar medium, S1 and S1', to differ by less than 20°.

  18. Sex differences in autism spectrum disorders: does sex moderate the pathway from clinical symptoms to adaptive behavior?

    PubMed

    Mandic-Maravic, Vanja; Pejovic-Milovancevic, Milica; Mitkovic-Voncina, Marija; Kostic, Milutin; Aleksic-Hil, Olivera; Radosavljev-Kircanski, Jelena; Mincic, Teodora; Lecic-Tosevski, Dusica

    2015-05-19

    We explored sex differences in diagnostic categories, clinical symptoms and adaptive behavior of persons with autism spectrum disorders, as well as sex-specific correlations of clinical and adaptive caracteristics. The study involved 108 patients (83 males, 6.73 ± 4.33 years old) diagnosed with autism spectrum disorders (ASD). Assessment included ADI-R and Vineland Adaptive Behavior Scale II. Males were more often diagnosed with typical autism. There were no sex differences in the autistic symptoms, while females showed better functioning in Daily living skills, without reaching statistically significant difference (p = 0.062). We have found different associations of autistic symptoms with different aspects of adaptive behavior in males and females. Social reciprocity in females correlated with social domain of adaptive behavior, in a positive direction. Our findings have shown that although there are no sex differences in autistic symptoms, females tend to be somewhat more functional, and are also less frequently diagnosed with typical autism. Our results have also shown that sex might moderate the way clinical symptoms are expressed in adaptive behavior. Social reciprocity might be the core feature regarding sex differences in ASD. Our findings might have diagnostic and therapeutical implications, pointing out to the need for individualized, sex-specific treatment in this group of disorders.

  19. Sex Differences in Internalizing Problems During Adolescence in Autism Spectrum Disorder.

    PubMed

    Oswald, Tasha M; Winter-Messiers, Mary Ann; Gibson, Brandon; Schmidt, Alexandra M; Herr, Cynthia M; Solomon, Marjorie

    2016-02-01

    We hypothesized that the double hit conferred by sex and diagnosis increases the risk for internalizing disorders in adolescent females with autism spectrum disorder (ASD). In a sample of 32 adolescents with ASD and 32 controls, we examined the effects of sex, diagnostic factors, and developmental stages on depression and anxiety. A 3-way interaction revealed that females with ASD exhibited greater depressive symptoms than males with ASD and female controls particularly during early adolescence; therefore, females with ASD might have a unique combination of genetic, hormonal, and psychosocial vulnerabilities that heighten their risk for depression during early adolescence. Additionally, the ASD group reported high levels of separation anxiety and panic in late adolescence, possibly indicating atypical development of independence.

  20. Impact of interferometer optical path difference speed profile on the Fourier-transform-spectrometry-derived spectrum of a telecommunications signal.

    PubMed

    Krause, Katie M; Genest, Jerome

    2006-07-01

    The impact of the interferometer optical path difference (OPD) speed profile on the spectrum, derived through the use of Fourier-transform spectrometry (FTS), of a synchronous optical network (SONET) signal is found. The SONET signal carries high-speed data traffic. It also may be modulated by low-frequency intensity or frequency modulation. It is found that the SONET header, high-speed data traffic and low-frequency modulation all manifest themselves as artifacts in the FTS-derived spectrum of the SONET signal. It is shown that a nonconstant OPD speed profile can smooth out these artifacts, making it unlikely that they will be mistaken for carrier signal peaks. However, it is found that smoothing out these artifacts lessens the achievable dynamic range of the FTS instrument in the frequency range of interest, the International Telecommunications Union common (C) and long (L) bands.

  1. Optimal frequency selection of multi-channel O2-band different absorption barometric radar for air pressure measurements

    NASA Astrophysics Data System (ADS)

    Lin, Bing; Min, Qilong

    2017-02-01

    Through theoretical analysis, optimal selection of frequencies for O2 differential absorption radar systems on air pressure field measurements is achieved. The required differential absorption optical depth between a radar frequency pair is 0.5. With this required value and other considerations on water vapor absorption and the contamination of radio wave transmission, frequency pairs of present considered radar system are obtained. Significant impacts on general design of differential absorption remote sensing systems are expected from current results.

  2. K- and L-edge X-ray absorption spectrum calculations of closed-shell carbon, silicon, germanium, and sulfur compounds using damped four-component density functional response theory.

    PubMed

    Fransson, Thomas; Burdakova, Daria; Norman, Patrick

    2016-05-21

    X-ray absorption spectra of carbon, silicon, germanium, and sulfur compounds have been investigated by means of damped four-component density functional response theory. It is demonstrated that a reliable description of relativistic effects is obtained at both K- and L-edges. Notably, an excellent agreement with experimental results is obtained for L2,3-spectra-with spin-orbit effects well accounted for-also in cases when the experimental intensity ratio deviates from the statistical one of 2 : 1. The theoretical results are consistent with calculations using standard response theory as well as recently reported real-time propagation methods in time-dependent density functional theory, and the virtues of different approaches are discussed. As compared to silane and silicon tetrachloride, an anomalous error in the absolute energy is reported for the L2,3-spectrum of silicon tetrafluoride, amounting to an additional spectral shift of ∼1 eV. This anomaly is also observed for other exchange-correlation functionals, but it is seen neither at other silicon edges nor at the carbon K-edge of fluorine derivatives of ethene. Considering the series of molecules SiH4-XFX with X = 1, 2, 3, 4, a gradual divergence from interpolated experimental ionization potentials is observed at the level of Kohn-Sham density functional theory (DFT), and to a smaller extent with the use of Hartree-Fock. This anomalous error is thus attributed partly to difficulties in correctly emulating the electronic structure effects imposed by the very electronegative fluorines, and partly due to inconsistencies in the spurious electron self-repulsion in DFT. Substitution with one, or possibly two, fluorine atoms is estimated to yield small enough errors to allow for reliable interpretations and predictions of L2,3-spectra of more complex and extended silicon-based systems.

  3. Goddard high-resolution spectrograph observations of narrow discrete stellar wind absorption features in the ultraviolet spectrum of the O7.5 III star Xi Persei

    NASA Technical Reports Server (NTRS)

    Shore, Steven N.; Altner, Bruce; Bolton, C. T.; Cardelli, Jason A.; Ebbets, Dennis C.

    1993-01-01

    We report the observation of transient narrow absorption components (NACs) in the stellar wind of the O giant Xi Per. Two sets of GHRS observations of the Si IV ultraviolet resonance doublet have been obtained. These features are extremely weak, with column densities of approximately 10 exp 12/sq cm and optical depths of order 0.1. The features are narrow, less than 30 km/s, and seem to occur in groups. If the NACs are due to the 1393 A component, they represent previously undetected low-velocity discrete absorption components at V(rad) below -600 km/s. If they are high-velocity features on the 1402 A doublet component, they may represent the decay phase of the discrete absorption components at the terminal velocity. In either case, they are a new aspect of the NAC phenomenon that could not have been detected with previous ultraviolet spectrographs.

  4. Ultrasonic velocity and absorption study of binary mixtures of cyclohexane with acrylonitrile by interferometric method at different frequencies

    NASA Astrophysics Data System (ADS)

    Pawar, N. R.; Chimankar, O. P.; Bhandakkar, V. D.; Padole, N. N.

    2012-12-01

    The ultrasonic velocity (u), absorption (α), density (ρ), and viscosity (η) has been measured at different frequencies (1MHz to 10MHz) in the binary mixtures of cyclohexane with acrylonitriile over the entire range of composition at temperature 303K. Vander Waal's constant (b), adiabatic compressibility (βa), acoustic impedance (Z), molar volume (V), free length (Lf), free volume, internal pressure, intermolecular radius and relative association have been also calculated. A special application for acrylonitrile is in the manufacture of carbon fibers. These are produced by paralysis of oriented poly acrylonitrile fibers and are used to reinforce composites for high-performance applications in the aircraft, defense and aerospace industries. Other applications of acrylonitrile are in the production of fatty amines, ion exchange resins and fatty amine amides used in cosmetics, adhesives, corrosion inhibitors and water-treatment resins. Cyclohexane derivatives can be used for the synthesis of pharmaceuticals, dyes, herbicides, plant growth regulator, plasticizers, rubber chemicals, nylon, cyclamens and other organic compounds. In the view of these extensive applications of acrylonitrile and cyclohexane in the engineering process, textile and pharmaceutical industries present study provides qualitative information regarding the nature and strength of interaction in the liquid mixtures through derive parameters from ultrasonic velocity and absorption measurement.

  5. Mechanisms of mercury removal by biochars produced from different feedstocks determined using X-ray absorption spectroscopy.

    PubMed

    Liu, Peng; Ptacek, Carol J; Blowes, David W; Landis, Richard C

    2016-05-05

    Thirty-six biochars produced from distinct feedstocks at different temperatures were evaluated for their potential to remove mercury (Hg) from aqueous solution at environmentally relevant concentrations. Concentrations of total Hg (THg) decreased by >90% in batch systems containing biochars produced at 600 and 700 °C and by 40-90% for biochars produced at 300 °C. Elevated concentrations of SO4(2-) (up to 1000 mg L(-1)) were observed in solutions mixed with manure-based biochars. Sulfur X-ray absorption near edge structure (XANES) analyses indicate the presence of both reduced and oxidized S species in both unwashed and washed biochars. Sulfur XANES spectra obtained from biochars with adsorbed Hg were similar to those of washed biochars. Micro-X-ray fluorescence mapping results indicate that Hg was heterogeneously distributed across biochar particles. Extended X-ray absorption fine structure modeling indicates Hg was bound to S in biochars with high S content and to O and Cl in biochars with low S content. The predominant mechanisms of Hg removal are likely the formation of chemical bonds between Hg and various functional groups on the biochar. This investigation provides information on the effectiveness and mechanisms of Hg removal that is critical for evaluating biochar applications for stabilization of Hg in surface water, groundwater, soils, and sediments.

  6. Vegetation canopy PAR absorptance and the normalized difference vegetation index - An assessment using the SAIL model

    NASA Technical Reports Server (NTRS)

    Goward, Samuel N.; Huemmrich, Karl F.

    1992-01-01

    Relationships are studied between the normalized-difference vegetation index (NDVI) and absorbed photosynthetically active radiation (APAR) in a vegetation canopy. The SAIL model of bidirectional canopy radiative transfer is employed to compare NDVI measurements that are instantaneous with diurnally integrated canopy APAR capacity. The NDVI measurements - taken at solar-zenith angles of more than 60 deg and sensor views of less than 40 deg from nadir - give stable near-linear estimates of diurnal APAR capacity. Discrepancies in the relations between APAR and NDVI are associated with variations in the optical properties of the canopy and with background spectral reflectance. The results are significant for the practical use of these remote sensing techniques but suggest that instantaneous observations can be used to characterize the diurnally integrated APAR in vegetation canopies.

  7. Resistant starch and arabinoxylan augment SCFA absorption, but affect postprandial glucose and insulin responses differently.

    PubMed

    Ingerslev, Anne Krog; Theil, Peter Kappel; Hedemann, Mette Skou; Lærke, Helle Nygaard; Bach Knudsen, Knud Erik

    2014-05-01

    The effects of increased colonic fermentation of dietary fibres (DF) on the net portal flux (NPF) of carbohydrate-derived metabolites (glucose, SCFA and, especially, butyrate), hormones (insulin, C-peptide, glucagon-like peptide 1 and glucose-dependent insulinotropic peptide) and NEFA were studied in a healthy catheterised pig model. A total of six pigs weighing 59 (SEM 1·6) kg were fitted with catheters in the mesenteric artery and in the portal and hepatic veins, and a flow probe around the portal vein, and included in a double 3 × 3 cross-over design with three daily feedings (at 09.00, 14.00 and 19.00 hours). Fasting and 5 h postprandial blood samples were collected after 7 d adaptation to each diet. The pigs were fed a low-DF Western-style control diet (WSD) and two high-DF diets (an arabinoxylan-enriched diet (AXD) and a resistant starch-enriched diet (RSD)). The NPF of insulin was lower (P= 0·04) in AXD-fed pigs (4·6 nmol/h) than in RSD-fed pigs (10·5 nmol/h), despite the lowest NPF of glucose being observed in RSD-fed pigs (203 mmol/h, P= 0·02). The NPF of total SCFA, acetate, propionate and butyrate were high, intermediate and low (P< 0·01) in AXD-, RSD- and WSD-fed pigs, respectively, with the largest relative increase being observed for butyrate in response to arabinoxylan supplementation. In conclusion, the RSD and AXD had different effects on the NPF of insulin and glucose, suggesting different impacts of arabinoxylan and resistant starch on human health.

  8. Cognitive, adaptive, and psychosocial differences between high ability youth with and without autism spectrum disorder.

    PubMed

    Doobay, Alissa F; Foley-Nicpon, Megan; Ali, Saba R; Assouline, Susan G

    2014-08-01

    Research on Autism Spectrum Disorder (ASD) is thriving; however, scant empirical research has investigated how ASD manifests in high ability youth. Further research is necessary to accurately differentiate high ability students with ASD from those without the disorder, and thus decrease the risk of misdiagnosis. The purpose of the present study is to provide an empirical account of the intellectual, adaptive, and psychosocial functioning of high ability youth with and without ASD utilizing a group study design. Forty youth with high cognitive ability and ASD and a control group of 41 youth with high cognitive ability and no psychological diagnosis were included in the study. In comparison to the control group, the ASD group showed poorer functioning on measures of processing speed, adaptive skills, and broad psychological functioning, as perceived by parents and teachers. These findings have significant implications for diagnosing ASD among those with high ability, and the development of related psychological and educational interventions to address talent domains and areas of concern.

  9. [Research on the NO2 mean concentration measurement with target differential optical absorption spectroscopy technology].

    PubMed

    Liu, Jin; Si, Fu-Qi; Zhou, Hai-Jin; Zhao, Min-Jie; Dou, Ke; Liu, Wen-Qing

    2013-04-01

    A new monitoring method of NO2 concentration near ground with the target difference absorption spectrum technology (Target DOAS) is introduced in the present paper. This method is based on the passive difference absorption spectrum technology. The instrument collects solar reflection spectrum of remote objectives, such as wall of building and mountain, and a specific reference spectrum is chosen to subtract the influence of trace gases from the target to atmospheric top, then integrated concentration of NO2 along the path between the target and instrument can be calculated through the differential absorption spectra inversion algorithm. Since the distance between the instrument and target is given, the mean concentration of NO2 can be derived. With developed Target DOAS instrument, NO2 concentration measurement was carried out in Hefei. And comparison was made between the target DOAS and long path difference absorption spectrometer. Good consistency was presented, proving the feasibility of this method.

  10. Analyzing radiation absorption difference of dental substance by using Dual CT

    NASA Astrophysics Data System (ADS)

    Yu, H.; Lee, H. K.; Cho, J. H.; Yang, H. J.; Ju, Y. S.

    2015-07-01

    The purpose of this study was to evaluate the changes of noise and computer tomography (CT) number in each dental substance, by using the metal artefact reduction algorithm; we used dual CT for this study. For the study, we produced resin, titanium, gypsum, and wax that are widely used by dentists. In addition, we made nickel to increase the artefact. While making the study materials, we made sure that there is no difficulty when inserting the substances inside phantom. In order to study, we scanned before and after using the metal artefact reduction algorithm. We conducted an average analysis of CT number and noise, before and after using the metal artefact reduction algorithm. As a result, there was no difference in CT number and noise before and after using the metal artefact reduction algorithm. However, when it comes to the noise value in each substance, wax's noise value was the lowest whereas titanium's noise value was the highest, after applying the metal artefact reduction algorithm. In nickel, CT number and noise value from artefact area showed a decreased noise value when applying the metal artefact reduction algorithm. In conclusion, we assumed that we could increase the effectiveness of CT examination by applying dual energy's metal artefact reduction algorithm.

  11. Subdiffusion-absorption process in a system consisting of two different media

    NASA Astrophysics Data System (ADS)

    Kosztołowicz, Tadeusz

    2017-02-01

    Subdiffusion with reaction A +B →B is considered in a system which consists of two homogeneous media joined together; the A particles are mobile, whereas B are static. Subdiffusion and reaction parameters, which are assumed to be independent of time and space variables, can be different in both media. Particles A move freely across the border between the media. In each part of the system, the process is described by the subdiffusion-reaction equations with fractional time derivative. By means of the method presented in this paper, we derive both the fundamental solutions (the Green's functions) P(x, t) to the subdiffusion-reaction equations and the boundary conditions at the border between the media. One of the conditions demands the continuity of a flux and the other one contains the Riemann-Liouville fractional time derivatives ∂α1P (0+,t ) /∂tα1 =(D1/D2 ) ∂α2P (0-,t ) /∂tα2 , where the subdiffusion parameters α1, D1 and α2, D2 are defined in the regions x <0 and x >0 , respectively.

  12. CO{sub 2} absorption using dry potassium-based sorbents with different supports

    SciTech Connect

    Chuanwen Zhao; Xiaoping Chen; Changsui Zhao

    2009-09-15

    The CO{sub 2} capture characteristics of dry potassium-based sorbents were investigated with thermogravimetric analysis (TGA) and a bubbling fluidized-bed reactor. Potassium-based sorbents were prepared by impregnation with potassium carbonate on supports such as coconut activated charcoal (AC1), coal active carbon (AC2), silica gel (SG), and activated alumina (Al{sub 2}O{sub 3}). Sorbents such as K{sub 2}CO{sub 3}/AC1, K{sub 2}CO{sub 3}/AC2, and K{sub 2}CO{sub 3}/Al{sub 2}O{sub 3} showed excellent carbonation capacity; The total conversion rates of those sorbents were 97.2, 95.9, and 95.2%, respectively in the TG test, and 89.2, 87.9, and 87.6%, respectively, in the fluidized-bed test. However, K{sub 2}CO{sub 3}/SG showed poor carbonation capacity, the total conversion rates were only 34.5 and 18.8%, respectively, in TG and fluidized-bed tests. The differences in carbonation capacity of those sorbents were analyzed by studying the microscopic structure and crystal structure of the supports and the sorbents with X-ray diffraction, scanning electron microscopy, and N{sub 2} adsorption tests. 23 refs., 10 figs.

  13. Sex and gender differences in autism spectrum disorder: summarizing evidence gaps and identifying emerging areas of priority.

    PubMed

    Halladay, Alycia K; Bishop, Somer; Constantino, John N; Daniels, Amy M; Koenig, Katheen; Palmer, Kate; Messinger, Daniel; Pelphrey, Kevin; Sanders, Stephan J; Singer, Alison Tepper; Taylor, Julie Lounds; Szatmari, Peter

    2015-01-01

    One of the most consistent findings in autism spectrum disorder (ASD) research is a higher rate of ASD diagnosis in males than females. Despite this, remarkably little research has focused on the reasons for this disparity. Better understanding of this sex difference could lead to major advancements in the prevention or treatment of ASD in both males and females. In October of 2014, Autism Speaks and the Autism Science Foundation co-organized a meeting that brought together almost 60 clinicians, researchers, parents, and self-identified autistic individuals. Discussion at the meeting is summarized here with recommendations on directions of future research endeavors.

  14. Gender Differences When Parenting Children with Autism Spectrum Disorders: A Multilevel Modeling Approach

    ERIC Educational Resources Information Center

    Jones, Leah; Totsika, Vasiliki; Hastings, Richard P.; Petalas, Michael A.

    2013-01-01

    Parenting a child with autism may differentially affect mothers and fathers. Existing studies of mother-father differences often ignore the interdependence of data within families. We investigated gender differences within-families using multilevel linear modeling. Mothers and fathers of children with autism (161 couples) reported on their own…

  15. [Analysis and comparison of trace elements of herba euphorbiae humifusae in different periods by microwave digestion-atomic absorption spectroscopy].

    PubMed

    Xiong, Wei; Cai, Miao-zhen; Wang, Hong; Yu, Rui-peng; Cheng, Cun-gui

    2010-07-01

    Herba euphorbiae humifusae is the dried whole plant of Euphorbia humi fusa Willd. that belongs to euphorbiaceae. In the present paper, the microwave digestion procedure was used to digest herba euphorbiae humifusae collected in different periods, and then flame atomic absorption spectrometry (FAAS) was used to determine the contents of eight kinds of trace elements of herba euphorbiae humifusae in different periods, and the change in the contents of trace elements at different times was studied and analysed. The results showed that of all the trace elements of herba euphorbiae humifusae in different periods, element Fe was the highest in June, element K was in August at the highest level, element Mn reached the highest content in September, elements Na and Ca were dividedly at the highest content in October and November, and in December the highest content elements were Zn, Cu and Mg. In one word, the change of Na and Ca was jumping, while the change of Cu and Zn was comparatively mild. The results provide scientific basis for the time of collection of herba euphorbiae humifusae.

  16. [Determination of trace elements in Lophatherum gracile brongn from different habitat by microwave digestion-atomic absorption spectroscopy].

    PubMed

    Yuan, Ke; Xue, Yue-Qin; Gui, Ren-Yi; Sun, Su-Qin; Yin, Ming-Wen

    2010-03-01

    A method of microwave digestion technique was proposed to determine the content of Zn, Fe, Cu, Mn, K, Ca, Mg, Ni, Cd, Pb, Cr, Co, Al, Se and As in Lophatherum gracile brongn of different habitat by atomic absorption spectroscopy. The RSD of the method was between 1.23% and 3.32%, and the recovery rates obtained by standard addition method were between 95.8% and 104.20%. The results of the study indicate that the proposed method has the advantages of simplicity, speediness and sensitivity. It is suitable for the determination of the contents of metal elements in Lophatherum gracile brongn. The experimental results also indicated that different areas' Lophantherum gracile brongn had different trace elements content. The content of trace elements K, Mg, Ca, Fe and Mn beneficial to the human body was rich. The content of the heavy metal trace element Pb in Lophantherum gracile brongn of Hunan province was slightly high. The content of the heavy metal trace element Cu in Lophantherum gracile brongn of Guangdong province and Anhui province is also slightly higher. Beside, the contents of harmful trace heavy metal elements Cd, Cu, Cr, Pb and As in Lophatherum gracile brongn of different habitat are all lower than the limits of Chinese Pharmacopoeia and Green Trade Standard for Importing and Exporting Medicinal Plant and Preparation and National Food Sanitation Standard. These determination results provided the scientific data for further discussing the relationship between the content of trace elements in Lophantherum gracile brongn and the medicine efficacy.

  17. The decays of three top contributors to the reactor ve high-energy spectrum, 92Rb, 96gsY, and 142Cs, studied with total absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Rasco, Bertis; MTAS Collaboration

    2016-09-01

    We report total absorption spectroscopy measurements of 92Rb, 96gsY, and 142Cs β decays, which are the most important contributors to the high energy ve spectral shape in nuclear reactors. The measurements were performed with the NaI(Tl) based Modular Total Absorption Spectrometer (MTAS). MTAS was constructed specifically to measure improved β-decay feeding patterns from neutron-rich nuclei, because it is difficult to measure β-decay feeding intensities with high energy precision γ-ray measurements due to the low efficiency of high precision detectors. Besides the impact to the high energy ve spectral shape in nuclear reactors, there are several other important applications of improved measurements of β-decay feeding patterns by total absorption spectroscopy; improve understanding of elemental abundances in the universe, help with stockpile stewardship, contribute to understanding of underlying nuclear structure, and improve measurements of decay heat. We will demonstrate some of the techniques for analyzing MTAS γ-decay data. This research was also sponsored by the Office of Nuclear Physics, U. S. Department of Energy under Contracts DE-AC05-00OR22725, DE-FG02-96ER40983, DE-FG02-96ER40978, and by the Polish National Science Center under Contract UMO-2013/08/T/ST2/00624.

  18. LED-Based Fourier Transform Spectroscopy: the HD16O Absorption Spectrum in the Range of 11200-12400 cm-1

    NASA Astrophysics Data System (ADS)

    Sinitsa, L. N.; Serdyukov, V. I.; Polovtseva, E. R.; Shcherbakov, A. P.; Voronin, B. A.; Bykov, A. D.

    2016-03-01

    The vibrational—rotational spectrum of the HD16O molecule is studied within the range of 11200-12400 cm-1. The spectrum is recorded by an IFS-125M Fourier spectrometer with a resolution of 0.05 cm-1. The measurements are performed using a multipass White cell. A light-emitting diode is used as a radiation source. The signal-to-noise ratio was about 104. The centers, intensities, and half-widths of the spectral lines are determined by fitting to the experimental data by the least-squares method. A linelist containing more than 1500 lines is created. The results obtained are compared with the experimental data of other authors.

  19. [Analysis of different health status based on characteristics of the facial spectrum photometric color].

    PubMed

    Xu, Jiatuo; Wu, Hongjin; Lu, Luming; Tu, Liping; Zhang, Zhifeng; Chen, Xiao

    2012-12-01

    This paper is aimed to observe the difference of facial color of people with different health status by spectral photometric color measuring technique according to the theory of facial color diagnosis in Internal Classic. We gathered the facial color information about the health status of persons in healthy group (183), sub-healthy group (287) and disease group (370) respectively. The information included L, a, b, C values and reflection of different wavelengths in 400-700nm with CM-2600D spectral photometric color measuring instrument on 8 points. The results indicated that overall complexion color values of the people in the three groups were significantly different. The persons in the disease group looked deep dark in features. The people in the sub-healthy group looked pale in features. The loci L, a, b, C values were with varying degrees of significant differences (P < 0.05) at 6 points among the groups, and the central position of the face in all the groups was the position with most significant differences. Comparing the facial color information at the same point of the people in the three groups, we obtained each group's diagnostic special point. There existed diagnostic values in distinguishing disease status and various status of health in some degree by spectral photometric color measuring technique. The present method provides a prosperous quantitative basis for Chinese medical inspection of the complexion diagnosis.

  20. Lifetime-Broadening-Suppressed X-ray Absorption Spectrum of β-YbAlB4 Deduced from Yb 3d → 2p Resonant X-ray Emission Spectroscopy

    NASA Astrophysics Data System (ADS)

    Kawamura, Naomi; Kanai, Noriko; Hayashi, Hisashi; Matsuda, Yasuhiro H.; Mizumaki, Masaichiro; Kuga, Kentaro; Nakatsuji, Satoru; Watanabe, Shinji

    2017-01-01

    In this work, the Yb 3d → 2p (Yb Lα1,2) resonant X-ray emission spectrum of β-YbAlB4 was acquired using excitation energies around the Yb L3-edge, at 2 K. Subsequently, the lifetime-broadening-suppressed (LBS) X-ray absorption structure (XAS) spectrum was obtained using the SIM-RIXS program. This spectrum was found to exhibit clearly resolved pre-edge and shoulder structures. Resonant Lα1 emission spectra were well reproduced from LBS-XAS profiles over wide ranges of excitation and emission energies. In contrast, noticeable discrepancies appeared between the experimental and simulated Lα2 emission spectra, suggesting an effect resulting from M4M5O1 Coster-Kronig transitions. LBS-XAS, in conjunction with partial fluorescence yield (PFY) XAS and transmission XAS, determined a value for the Yb valence (v) in β-YbAlB4 of 2.76 ± 0.08 at 2 K. Despite this relatively large uncertainty in v, each method provided a consistent variation in valence (δv) as the temperature was raised from 2 to 280 K: 0.060 ± 0.004 (LBS-XAS), 0.061 ± 0.005 (PFY-XAS) and 0.058 ± 0.007 (transmission XAS). The smaller δv associated with LBS-XAS demonstrates the greater precision of this method.

  1. Effects of nitrogen composition on fermentation performance of brewer's yeast and the absorption of peptides with different molecular weights.

    PubMed

    Mo, Fen; Zhao, Haifeng; Lei, Hongjie; Zhao, Mouming

    2013-11-01

    Four kinds of worts with different nitrogen compositions were used to examine their effects on fermentation performance of brewer's yeast. The absorption pattern of peptides with different molecular weights (Mw) in yeast cells during wort fermentation was also investigated. Results showed that both the nitrogen composition and level had significant impacts on the yeast biomass accumulation, ethanol production, and free amino nitrogen and sugars consumption rates. Worts supplemented with wheat gluten hydrolysates increased 11.5% of the biomass, 5.9% of fermentability, and 0.6% of ethanol content and decreased 25.6% of residual sugar content during wort fermentation. Moreover, yeast cells assimilated peptides with various Mw differently during fermentation. Peptides with Mw below 1 kDa decreased quickly, and the rate of assimilation was more than 50% at the end of fermentation, while those with Mw above 10 kDa almost could not be assimilated by yeast. All these results further indicated that the level and composition of wort nitrogen had significant impacts on the growth and fermentation performances of brewer's yeast, and peptides with Mw below 1 kDa were one of preferred nitrogen sources for brewer's yeast.

  2. UV-visible absorption spectroscopy for the detection of differences in oligonucleotide influenced aggregation of colloidal gold nanoparticles

    NASA Astrophysics Data System (ADS)

    Chowdury, Mustafa H.; Julian, Andrea M.; Coates, Craig J.; Cote, Gerard L.

    2005-04-01

    Transposable elements (TEs) or transposons are mobile segments of DNA that are capable of being excised and moved from one chromosomal location to another by a process known as transposition. This process requires an enzyme called the transposase that performs the excision reaction, recognizes specific target site sequences and then promotes insertion of the TE at the target site (transposition). This study provides new clues towards unraveling the causes behind the preferential affinity of the Hermes transposable element for certain insertion sites compared to other sequences which also contain recognizable target sites. The technique consists of a rapid, simple and reproducible assay that can be used to detect differences in the ability of various oligonucleotides to influence the aggregation of colloidal gold nanoparticles. The aggregation of the gold nanoparticles is monitored through UV-Visible absorption spectroscopy. Single isolated colloidal gold particles have a surface plasmon resonance manifested as a single absorbance peak at approximately 520 nm and aggregated gold complexes develop new red-shifted peaks/shoulders depending on the nature and extent of the aggregated complex. A simple ratiometric study of the area under the single and aggregated plasmon resonance peaks gives information about the extent of the aggregation. It is postulated that differences in dynamic flexibility of the oligonucleotides affect their influence on the aggregation state of the gold nanoparticles. Therefore such differences in dynamic flexibility between various insertion sites could directly or indirectly contribute to the observed target site preferences of the Hermes transposable element.

  3. Quantification of the power changes in BOLD signals using Welch spectrum method during different single-hand motor imageries.

    PubMed

    Zhang, Jiang; Yuan, Zhen; Huang, Jin; Yang, Qin; Chen, Huafu

    2014-12-01

    Motor imagery is an experimental paradigm implemented in cognitive neuroscience and cognitive psychology. To investigate the asymmetry of the strength of cortical functional activity due to different single-hand motor imageries, functional magnetic resonance imaging (fMRI) data from right handed normal subjects were recorded and analyzed during both left-hand and right-hand motor imagery processes. Then the average power of blood oxygenation level-dependent (BOLD) signals in temporal domain was calculated using the developed tool that combines Welch power spectrum and the integral of power spectrum approach of BOLD signal changes during motor imagery. Power change analysis results indicated that cortical activity exhibited a stronger power in the precentral gyrus and medial frontal gyrus with left-hand motor imagery tasks compared with that from right-hand motor imagery tasks. These observations suggest that right handed normal subjects mobilize more cortical nerve cells for left-hand motor imagery. Our findings also suggest that the approach based on power differences of BOLD signals is a suitable quantitative analysis tool for quantification of asymmetry of brain activity intensity during motor imagery tasks.

  4. Computational studies of the electronic absorption spectrum of [(2,2';6',2″-terpyridine)-Pt(II)-OH] [7,7,8,8-tetracyanoquinodimethane] complex.

    PubMed

    Rabaâ, Hassan; Taubert, Stefan; Sundholm, Dage

    2013-11-27

    The electronic excitation spectrum of the [(2,2';6',2″-terpyridine)-platinum(II)-OH] [7,7,8,8-tetracyanoquinodimethane] ([Pt(trpy)OH]TCNQ) complex has been studied at the linear-response approximate coupled-cluster singles and doubles (CC2) level using triple-ζ basis sets augmented with polarization functions (TZVP). The calculated ultraviolet-visible (UV-vis) spectrum of the [Pt(trpy)OH]TCNQ complex is compared with the UV-vis spectrum measured for [Pt(tbtrpy)OH]TCNQ (tbtrpy = 4,4',4″-(t)Bu3-2,2';6',2″-terpyridine) in dichloromethane (CH2Cl2) solution. The UV-vis spectrum is also compared with the calculated UV-vis spectra of [Pt(trpy)OH](+) and of the neutral and negatively charged TCNQ species. In contrast to previous interpretations, the CC2 calculations suggest that the [Pt(trpy)OH]TCNQ complex is dissociated into [Pt(trpy)OH](+) and TCNQ(-) when dissolved in CH2Cl2. The computed electronic excitation energies of [Pt(trpy)OH](+) provide information about the charge-transfer excitations between the Pt(II) metal center and the ligands. The UV-vis spectra were also calculated at the linear-response time-dependent density functional theory (TDDFT) level using the B3LYP, BHLYP, and CAM-B3LYP functionals in combination with TZVP quality basis sets. For the TCNQ species, the TDDFT calculations yield slightly smaller excitation energies than obtained at the CC2 level, whereas for [Pt(trpy)OH](+) the CC2 excitation energies are slightly smaller than the TDDFT ones. For the [Pt(trpy)OH]TCNQ complex, the B3LYP calculations yield spurious low-lying excited states rendering the spectral assignment using B3LYP data difficult. The low-energy part of the electronic excitation spectrum for the [Pt(trpy)OH]TCNQ complex calculated at the BHLYP and CAM-B3LYP levels is reminiscent of the CC2 one because the larger amount of Hartree-Fock exchange and the long-range correction of the potential blue shifts the excitation energies.

  5. Apparatus and method for quantitative measurement of small differences in optical absorptivity between two samples using differential interferometry and the thermooptic effect

    DOEpatents

    Cremers, D.A.; Keller, R.A.

    1984-05-08

    An apparatus and method for the measurement of small differences in optical absorptivity of weakly absorbing solutions using differential interferometry and the thermooptic effect have been developed. Two sample cells are placed in each arm of an interferometer and are traversed by colinear probe and heating laser beams. The interrogation probe beams are recombined forming a fringe pattern, the intensity of which can be related to changes in optical path length of these laser beams through the cells. This in turn can be related to small differences in optical absorptivity which results in different amounts of sample heating when the heating laser beams are turned on, by the fact that the index of refraction of a liquid is temperature dependent. A critical feature of this invention is the stabilization of the optical path of the probe beams against drift. Background (solvent) absorption can then be suppressed by a factor of approximately 400. Solute absorptivities of about 10[sup [minus]5] cm[sup [minus]1] can then be determined in the presence of background absorptions in excess of 10[sup [minus]3] cm[sup [minus]1]. In addition, the smallest absorption measured with the instant apparatus and method is about 5 [times] 10[sup [minus]6] cm[sup [minus]1]. 6 figs.

  6. Apparatus and method for quantitative measurement of small differences in optical absorptivity between two samples using differential interferometry and the thermooptic effect

    DOEpatents

    Cremers, David A.; Keller, Richard A.

    1984-01-01

    An apparatus and method for the measurement of small differences in optical absorptivity of weakly absorbing solutions using differential interferometry and the thermooptic effect has been developed. Two sample cells are placed in each arm of an interferometer and are traversed by colinear probe and heating laser beams. The interrogation probe beams are recombined forming a fringe pattern, the intensity of which can be related to changes in optical pathlength of these laser beams through the cells. This in turn can be related to small differences in optical absorptivity which results in different amounts of sample heating when the heating laser beams are turned on, by the fact that the index of refraction of a liquid is temperature dependent. A critical feature of this invention is the stabilization of the optical path of the probe beams against drift. Background (solvent) absorption can then be suppressed by a factor of approximately 400. Solute absorptivities of about 10.sup.-5 cm.sup.-1 can then be determined in the presence of background absorptions in excess of 10.sup.-3 cm.sup.-1. In addition, the smallest absorption measured with the instant apparatus and method is about 5.times. 10.sup.-6 cm.sup.-1.

  7. Apparatus and method for quantitative measurement of small differences in optical absorptivity between two samples using differential interferometry and the thermooptic effect

    DOEpatents

    Cremers, D.A.; Keller, R.A.

    1982-06-08

    An apparatus and method for the measurement of small differences in optical absorptivity of weakly absorbing solutions using differential interferometry and the thermooptic effect has been developed. Two sample cells are placed in each arm of an interferometer and are traversed by colinear probe and heating laser beams. The interrogation probe beams are recombined forming a fringe pattern, the intensity of which can be related to changes in optical pathlength of these laser beams through the cells. This in turn can be related to small differences in optical absorptivity which results in different amounts of sample heating when the heating laser beams are turned on, by the fact that the index of refraction of a liquid is temperature dependent. A critical feature of this invention is the stabilization of the optical path of the probe beams against drift. Background (solvent) absorption can then be suppressed by a factor of approximately 400. Solute absorptivities of about 10/sup -5/ cm/sup -1/ can then be determined in the presence of background absorptions in excess of 10/sup -3/ cm/sup -1/. In addition, the smallest absorption measured with the instant apparatus and method is about 5 x 10/sup -6/ cm/sup -1/.

  8. A Review of the Differences in Developmental, Psychiatric, and Medical Endophenotypes Between Males and Females with Autism Spectrum Disorder

    PubMed Central

    Rubenstein, Eric; Wiggins, Lisa D.; Lee, Li-Ching

    2015-01-01

    Autism spectrum disorder (ASD) is over four times more prevalent in males compared to females. Increased understanding of sex differences in ASD endophenotypes could add insight into possible etiologies and the assessment and management of the disorder. Consequently, the purpose of this review is to describe current literature regarding sex differences in the developmental, psychiatric, and medical endophenotypes of ASD in order to illustrate current knowledge and areas in need of further research. Our review found that repetitive behaviors and restricted interests are more common in males than females with ASD. Intellectual disability is more common in females than males with ASD. Attention to detail may be more common in males than females with ASD and epilepsy may be more common in females than males with ASD, although limited research in these areas prevent definitive conclusions from being drawn. There does not appear to be a sex difference in other developmental, psychiatric, and medical symptoms associated with ASD, or the research was contradictory or too sparse to establish a sex difference. Our review is unique in that it offers detailed discussion of sex differences in three major endophenotypes of ASD. Further research is needed to better understand why sex differences exist in certain ASD traits and to evaluate whether phenotypic sex differences are related to different pathways of development, assessment, and treatment of the disorder. PMID:26146472

  9. Age-Related Differences in Restricted Repetitive Behaviors in Autism Spectrum Disorders

    ERIC Educational Resources Information Center

    Esbensen, Anna J.; Seltzer, Marsha Mailick; Lam, Kristen S. L.; Bodfish, James W.

    2009-01-01

    Restricted repetitive behaviors (RRBs) were examined in a large group of children, adolescents and adults with ASD in order to describe age-related patterns of symptom change and association with specific contextual factors, and to examine if the patterns of change are different for the various types of RRBs. Over 700 individuals with ASD were…

  10. Comparative study of the absorption spectrum of Li 2CaSiO 4:Cr 4+: First-principles fully relativistic and crystal field calculations

    NASA Astrophysics Data System (ADS)

    Brik, M. G.; Ogasawara, K.

    2007-11-01

    Systematic analysis of the energy level scheme and ground state absorption of the Cr4+ ion in Li2CaSiO4 crystal was performed using the exchange charge model of the crystal field [B.Z. Malkin, in: A.A. Kaplyanskii, B.M. Macfarlane (Eds.), Spectroscopy of Solids Containing Rare-earth Ions, North-Holland, Amsterdam, 1987, pp. 33-50] and recently developed first-principles approach to the analysis of the absorption spectra of impurity ions in crystals based on the discrete variational multielectron (DVME) method [K. Ogasawara, T. Iwata, Y. Koyama, T. Ishii, I. Tanaka, H. Adachi, Phys. Rev. B 64 (2001) 115413]. Using the former method, the values of parameters of crystal field acting on the Cr4+ ion valence electrons were calculated using the Li2CaSiO4 crystal structure data. Energy levels of the Cr4+ ion obtained after diagonalizing the crystal field Hamiltonian are in good agreement with those obtained from the experimental spectra. The latter method is based on the numerical solution of the Dirac equation; therefore, all relativistic effects are automatically considered. As a result, energy level scheme of Cr4+ and its absorption spectra in both polarizations were calculated, assigned and compared with experimental data; energy of the lowest charge transfer transition was evaluated and compared with theoretical predictions for the CrO44- complex available in the literature. The main features of the experimental spectra shape are reproduced well by the calculations. By performing analysis of the molecular orbitals (MO) population, it was shown that the covalent effects play an important role in formation of the spectral properties of Cr4+ ion in the considered crystal.

  11. The Complete Ultraviolet Spectrum of the Archetypal "Wind-dominated" Quasar Mrk 231: Absorption and Emission from a High-speed Dusty Nuclear Outflow

    NASA Astrophysics Data System (ADS)

    Veilleux, S.; Meléndez, M.; Tripp, T. M.; Hamann, F.; Rupke, D. S. N.

    2016-07-01

    New near- and far-ultraviolet (NUV and FUV) Hubble Space Telescope spectra of Mrk 231, the nearest quasar known, are combined with ground-based optical spectra to study the remarkable dichotomy between the FUV and NUV-optical spectral regions in this object. The FUV emission-line features are faint, broad, and highly blueshifted (up to ˜7000 km s-1), with no significant accompanying absorption. In contrast, the profiles of the NUV absorption features resemble those of the optical Na i D, He i, and Ca ii H and K lines, exhibiting broad blueshifted troughs that overlap in velocity space with the FUV emission-line features and indicate a dusty, high-density and patchy broad absorption line (BAL) screen covering ˜90% of the observed continuum source at a distance ≲2-20 pc. The FUV continuum emission does not show the presence of any obvious stellar features and is remarkably flat compared with the steeply declining NUV continuum. The NUV (FUV) features and continuum emission have not varied significantly over the past ˜22 (3) years and are unresolved on scales ˜40 (170) pc. These results favor an active galactic nucleus origin for the NUV-FUV line and continuum emission. The observed FUV line emission is produced in the outflowing BAL cloud system, while the Balmer lines arise primarily from the standard broad line region seen through the dusty BAL screen. Our data are inconsistent with the recently proposed binary black hole model. We argue instead that Mrk 231 is the nearest example of weak-lined “wind-dominated” quasars with high Eddington ratios and geometrically thick (“slim”) accretion disks; these quasars are likely more common in the early universe.

  12. Narratives of Girls and Boys with Autism Spectrum Disorders: Gender Differences in Narrative Competence and Internal State Language.

    PubMed

    Kauschke, Christina; van der Beek, Bettina; Kamp-Becker, Inge

    2016-03-01

    Since gender differences in the symptomatology of autism spectrum disorder (ASD) are not well understood, the current study examines the communicative skills of males and females with ASD. Narrative competence and internal state language (ISL) was investigated using narrations elicited by a wordless picture book. 11 girls and 11 boys with ASD and 11 typically developing girls were individually matched. Although results demonstrate largely comparable narrative skills across groups, the groups differed with respect to the size and use of ISL: Girls with ASD verbalized and motivated internal states more often than boys, and both groups with ASD fell behind typically developing children in production of affective words. Implications for the clinical presentation of males and females with ASD are discussed.

  13. Sex differences in autism spectrum disorder: an examination of developmental functioning, autistic symptoms, and coexisting behavior problems in toddlers.

    PubMed

    Hartley, Sigan L; Sikora, Darryn M

    2009-12-01

    Little is known about the female presentation of autism spectrum disorder (ASD) during early childhood. We investigated sex differences in developmental profiles using the Mullen Scales of Early Learning, autistic symptoms on the ADOS-G, and coexisting behavior problems on the CBCL in 157 boys and 42 girls with ASD aged 1.5-3.9 years. Overall, boys and girls evidenced a markedly similar pattern of developmental profiles, autism symptoms, and coexisting behavior problems, although subtle differences exist. Boys and girls evidenced a similar pattern of developmental strengths and weaknesses. Girls with ASD evidenced greater communication deficits than boys and boys evidenced more restricted, repetitive, and stereotyped behavior than girls. Girls exhibited more sleep problems and anxious or depressed affect than boys.

  14. PERITONEAL ABSORPTION

    PubMed Central

    Hahn, P. F.; Miller, L. L.; Robscheit-Robbins, F. S.; Bale, W. F.; Whipple, G. H.

    1944-01-01

    The absorption of red cells from the normal peritoneum of the dog can be demonstrated by means of red cells labeled with radio-iron incorporated in the hemoglobin of these red cells. Absorption in normal dogs runs from 20 to 100 per cent of the amount given within 24 hours. Dogs rendered anemic by bleeding absorb red cells a little less rapidly—ranging from 5 to 80 per cent of the injected red cells. Doubly depleted dogs (anemic and hypoproteinemic) absorb even less in the three experiments recorded. This peritoneal absorption varies widely in different dogs and even in the same dog at different times. We do not know the factors responsible for these variations but there is no question about active peritoneal absorption. The intact red cells pass readily from the peritoneal cavity into lymph spaces in diaphragm and other areas of the peritoneum. The red cells move along the lymphatics and through the lymph glands with little or no phagocytosis and eventually into the large veins through the thoracic ducts. PMID:19871404

  15. Frequency spectrum of transepithelial potential difference reveals transport-related oscillations.

    PubMed

    Montalbetti, Nicolás; Fischbarg, Jorge

    2009-09-16

    How epithelia transport fluid is a fundamental issue that is unresolved. Explanations offered include molecular engines, local transcellular osmosis, local paracellular osmosis, and paracellular fluid transport. On the basis of experimental and theoretical work done on corneal endothelium, a fluid transporting epithelium, we suggest electroosmotic coupling at the level of the intercellular junctions driven by the transendothelial electrical potential difference as an explanation of paracellular fluid transport. We collect frequency spectra of that potential difference in real-time. For what we believe is the first time for any epithelium, we report that, unexpectedly, the potential difference displays oscillations at many characteristic frequencies. We also show that on both stimulating cell activity and inhibiting ion transport mechanisms, there are corresponding changes in the oscillations amplitudes that mirror changes known previously in rates of fluid transport. We believe these findings provide a novel tool to study the kinetics of electrogenic elements such as channels and transporters, which from this evidence would give rise to current oscillations with characteristic periods going from 150 ms to 8 s.

  16. Monitoring of atmospheric nitrogen dioxide by long-path pulsed differential optical absorption spectroscopy using two different light paths.

    PubMed

    Kambe, Yasuaki; Yoshii, Yotsumi; Takahashi, Kenshi; Tonokura, Kenichi

    2012-03-01

    Measurements of the local distribution of atmospheric nitrogen dioxide (NO(2)) by long-path pulsed differential optical absorption spectroscopy (LP-PDOAS) in Tokyo during August 2008 are presented. Two LP-PDOAS systems simultaneously measured average NO(2) temporal mixing ratios along two different paths from a single observation point. Two flashing aviation obstruction lights, located 7.0 km north and 6.3 km east from the observation point, were used as light sources, allowing spatiotemporal variations of NO(2) in Tokyo to be inferred. The LP-PDOAS data were compared with ground-based data measured using chemiluminescence. Surface wind data indicated that large inhomogeneities were present in the spatial NO(2) distributions under southerly wind conditions, while northerly wind conditions displayed greater homogeneity between the two systems. The higher correlation in the NO(2) mixing ratio between the two LP-PDOAS systems was observed under northerly wind conditions with a correlation factor R(2) = 0.88. We demonstrated that the combined deployment of two LP-PDOAS systems oriented in different directions provides detailed information on the spatial distribution of NO(2).

  17. Different speciation for bromine in brown and red algae, revealed by in vivo X-ray absorption spectroscopic studies.

    PubMed

    Küpper, Frithjof C; Leblanc, Catherine; Meyer-Klaucke, Wolfram; Potin, Philippe; Feiters, Martin C

    2014-08-01

    Members of various algal lineages are known to be strong producers of atmospherically relevant halogen emissions, that is a consequence of their capability to store and metabolize halogens. This study uses a noninvasive, synchrotron-based technique, X-ray absorption spectroscopy, for addressing in vivo bromine speciation in the brown algae Ectocarpus siliculosus, Ascophyllum nodosum, and Fucus serratus, the red algae Gracilaria dura, G. gracilis, Chondrus crispus, Osmundea pinnatifida, Asparagopsis armata, Polysiphonia elongata, and Corallina officinalis, the diatom Thalassiosira rotula, the dinoflagellate Lingulodinium polyedrum and a natural phytoplankton sample. The results highlight a diversity of fundamentally different bromine storage modes: while most of the stramenopile representatives and the dinoflagellate store mostly bromide, there is evidence for Br incorporated in nonaromatic hydrocarbons in Thalassiosira. Red algae operate various organic bromine stores - including a possible precursor (by the haloform reaction) for bromoform in Asparagopsis and aromatically bound Br in Polysiphonia and Corallina. Large fractions of the bromine in the red algae G. dura and C. crispus and the brown alga F. serratus are present as Br(-) defects in solid KCl, similar to what was reported earlier for Laminaria parts. These results are discussed according to different defensive strategies that are used within algal taxa to cope with biotic or abiotic stresses.

  18. Selenium speciation in seleniferous agricultural soils under different cropping systems using sequential extraction and X-ray absorption spectroscopy.

    PubMed

    Qin, Hai-Bo; Zhu, Jian-Ming; Lin, Zhi-Qing; Xu, Wen-Po; Tan, De-Can; Zheng, Li-Rong; Takahashi, Yoshio

    2017-03-14

    Selenium (Se) speciation in soil is critically important for understanding the solubility, mobility, bioavailability, and toxicity of Se in the environment. In this study, Se fractionation and chemical speciation in agricultural soils from seleniferous areas were investigated using the elaborate sequential extraction and X-ray absorption near-edge structure (XANES) spectroscopy. The speciation results quantified by XANES technique generally agreed with those obtained by sequential extraction, and the combination of both approaches can reliably characterize Se speciation in soils. Results showed that dominant organic Se (56-81% of the total Se) and lesser Se(IV) (19-44%) were observed in seleniferous agricultural soils. A significant decrease in the proportion of organic Se to the total Se was found in different types of soil, i.e., paddy soil (81%) > uncultivated soil (69-73%) > upland soil (56-63%), while that of Se(IV) presented an inverse tendency. This suggests that Se speciation in agricultural soils can be significantly influenced by different cropping systems. Organic Se in seleniferous agricultural soils was probably derived from plant litter, which provides a significant insight for phytoremediation in Se-laden ecosystems and biofortification in Se-deficient areas. Furthermore, elevated organic Se in soils could result in higher Se accumulation in crops and further potential chronic Se toxicity to local residents in seleniferous areas.

  19. Dietary amino acids fed in free form or as protein do differently affect amino acid absorption in a rat everted sac model.

    PubMed

    Nolles, J A; Peeters, I G S; Bremer, B I; Moorman, R; Koopmanschap, R E; Verstegen, M W A; Schreurs, V V A M

    2008-10-01

    In the present study, the effect of free amino acid (FAA) diets on the intestinal absorption rate of methionine and leucine was studied 'ex vivo' with rats adapted for different periods of time to the diets, using the everted sac method. The adaptation period to the 21% FAA diet with an amino acid content based on casein was either, 0 (no adaptation, N-ADA), 5 (short-term adaptation, ST-ADA), or 26-33 days (long-term adaptation, LT-ADA). Within the ST-ADA and the LT-ADA groups, three different levels of methionine were included: 50%, 100% and 200% of the level normally present in casein. All diets were iso-nitrogenous and iso-caloric. After the adaptation period (0, 5, or 26-33 days), intestinal everted sacs were prepared. Methionine or leucine was added to the medium as transport substrate. The methionine absorption rate of the rats of the LT-ADA groups was higher than that of the N-ADA groups. Furthermore, adaptation to 200% dietary methionine levels caused a significantly slower leucine absorption compared to the 100%, and 50% group. Methionine absorption was similar in the 100% and 200% groups, but the absorption of methionine in the 50% group was enhanced in the distal part of the intestines. We concluded that in response diets with 21% FAAs as only amino acid source, amino acid absorption is decreased to avoid toxic effects of high levels of methionine in the circulation.

  20. The X-ray absorption spectrum of 4U 1700-37 and its implications for the stellar wind of the companion HD 153919

    NASA Technical Reports Server (NTRS)

    White, N. E.; Kallman, T. R.; Swank, J. H.

    1983-01-01

    The first high resolution non-dispersive 2-60 keV X-ray spectra at 4U1700-37 is presented. The continuum is typical of that found from X-ray pulsars; that is a flat powr law between 2 and 10 keV and, beyond 10 keV, an exponential decay of characteristic energy varying between 10 and 20 keV. No X-ray pulsations were detected between 160 ms and 6 min with an amplitude greater than approximately 2 percent. The absorption measured at binary phases approximately 0.72 is comparable to that expected from the stellar wind of the primary. The gravitational capture of material in the wind is found to be more than enough to power the X-ray source. The increase in the average absorption after phi of approximately 0.5 is confirmed. The minimum level of adsorption is a factor of 2 or 3 lower than that reported by previous observers, which may be related to a factor of approximately 10 decline in the average X-ray luminosity over the same interval. Short term approximately 50 percent variations in adsorption are seen for the first time which appear to be loosely correlated with approximately 10 min flickering activity in the X-ray flux. These most likely originate from inhomogeneities in the stellar wind of the primary. Previously announced in STAR as N83-14034