Science.gov

Sample records for absorption spectrum fluorescence

  1. [The measurement and analysis of visible-absorption spectrum and fluorescence spectrum of lycopene].

    PubMed

    Yang, Xiao-zhan; Li, Ping; Dai, Song-hui; Wu, Da-cheng; Li, Rui-xia; Yang, Jian-hui; Xiao, Hai-bo

    2005-11-01

    Using ICCD spectral detection system, the absorbency of lycopene-carbon bisulfide solution with different concentration was measured, and the result shows that in a specified range the absorption rule of lycopene solution agrees with Lambert-Beer Law. Absorption spectral wavelength shifts were measured respectively when lycopene was dissolved in acetone, normal hexane, petroleum ether, benzene, ethyl acetate, and carbon bisulfide, and comparing to acetone, different red-shift appeared when lycopene was dissolved in benzene, ethyl acetate, and carbon bisulfide when water was added in lycopene-acetone solution, t he absorbency of lycopene dropped, the fine structure of absorption spectrum became indistinct, and a new absorption peak appeared in UV. The reason for these phenomena is that the solvent molecule had different effect on lycopene molecule when lycopene was dissolved in different solvent. Using fluorecence spectrophotometer, fluorescence spectra of lycopene in different concentrations were collected, and the results show that the fluorescence spectra of lycopene were mainly in 500-680 nm. When concentration was lower than 50 microg x mL(-1), the fluorescence intensity linearly increased with increasing concentration, and when concentration was higher than 60 microg x mL(-1), the fluorescence intensity dropped because of the interaction between lycopene molecules. PMID:16499057

  2. 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.

  3. Visible absorption spectrum of liquid ethylene

    PubMed Central

    Nelson, Edward T.; Patel, C. Kumar N.

    1981-01-01

    The visible absorption spectrum of liquid ethylene at ≈ 108 K from 5500 Å to 7200 Å was measured by using a pulsed tunable dye laser, immersed-transducer, gated-detection opto-acoustic spectroscopy technique. The absorption features show the strongest band with an absorption coefficient of ≈2 × 10-2 cm-1 and the weakest band with an absorption coefficient of ≈1 × 10-4 cm-1. Proposed assignments of the observed absorption peaks involve combinations of overtones of local and normal modes of vibration of ethylene. PMID:16592978

  4. Absorption and fluorescence spectroscopy on a smartphone

    NASA Astrophysics Data System (ADS)

    Hossain, Md. Arafat; Canning, John; Cook, Kevin; Ast, Sandra; Rutledge, Peter J.; Jamalipour, Abbas

    2015-07-01

    A self-powered smartphone-based field-portable "dual" spectrometer has been developed for both absorption and fluorescence measurements. The smartphone's existing flash LED has sufficient optical irradiance to undertake absorption measurements within a 3D-printed case containing a low cost nano-imprinted polymer diffraction grating. A UV (λex ~ 370 nm) and VIS (λex ~ 450 nm) LED are wired into the circuit of the flash LED to provide an excitation source for fluorescence measurements. Using a customized app on the smartphone, measurements of absorption and fluorescence spectra are demonstrated using pH-sensitive and Zn2+-responsive probes. Detection over a 300 nm span with 0.42 nm/pixel spectral resolution is demonstrated. Despite the low cost and small size of the portable spectrometer, the results compare well with bench top instruments.

  5. Novel Technique for Improving the Signal-to-Background Ratio of X-ray Absorption Near-Edge Structure Spectrum in Fluorescence Mode and Its Application to the Chemical State Analysis of Magnesium Doped in GaN

    NASA Astrophysics Data System (ADS)

    Yonemura, Takumi; Iihara, Junji; Saito, Yoshihiro; Ueno, Masaki

    2013-12-01

    A novel measurement technique for an X-ray absorption near-edge structure (XANES) for magnesium (Mg) doped in gallium nitride (GaN) has been developed. XANES spectra from Mg at very low concentrations of 1 ×1018/cm3 doped in GaN have successfully been obtained by optimizing the region of interest (ROI) and by using highly brilliant synchrotron radiation X-rays of SPring-8. The ROI is the limited energy region from an X-ray fluorescence spectrum to elicit signals of particular atoms. Using this new technique, we have investigated the effect of the annealing process for Mg-doped GaN on the XANES spectra. It has been found that the XANES spectra of Mg significantly changed as the annealing temperature increased. This indicates that the local structure around Mg atoms in GaN was modified by the annealing process.

  6. 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.

  7. Studies on external electric field effects on absorption and fluorescence spectra of NADH

    NASA Astrophysics Data System (ADS)

    Nakabayashi, Takakazu; Islam, Md. Serajul; Li, Liming; Yasuda, Masahide; Ohta, Nobuhiro

    2014-03-01

    Electric field effects on absorption and fluorescence spectra have been investigated for NADH that is a representative autofluorescent chromophore in cells. The change in electric dipole moment following absorption is significant in the electroabsorption spectrum, indicating charge transfer character in the excited state. The fluorescence intensity decreases in the presence of an electric field, which arises from the field-induced increase in the rate of the non-radiative process. The blue shift of the fluorescence spectrum and the increase in the fluorescence lifetime of NADH are measured in yeast cells, which is discussed in terms of a local electric field around NADH.

  8. Ultraviolet absorption spectrum of gaseous HOCl

    SciTech Connect

    Mishalanie, E.A; Rutkowski, C.J.; Hutte, R.S.; Birks, J.W.

    1986-10-23

    The UV absorption spectrum of gaseous HOCl was investigated in the wavelength region 240 to 390 nm by using a dynamic HOCl source. Substantial quantities of HOCl were produced compared to two species (Cl/sub 2/O, ClO/sub 2/) that are spectral interferences in the wavelength region of interest. Thirteen experimental absorption spectra were analyzed by the statistical method of factor analysis. This analysis revealed that two major components were contributing to the total absorbance in each spectrum and that these two components accounted for 99.97% of all variance in the data. Mass spectra were simultaneously recorded with the absorption spectra by a quadrupole mass spectrometer that was calibrated for HOCl, Cl/sub 2/, Cl/sub 2/O, ClO/sub 2/, and other species. The two components in the absorption spectra were identified as Cl/sub 2/ and HOCl containing trace levels of ClO/sub 2/. The isolated Cl/sub 2/ and HOCl/ClO/sub 2/ spectral curves were obtained from a spectral-isolation factor analysis and quantified by using the Cl/sub 2/ spectrum as an internal standard. Atmospheric photolysis constants averaged over 24 h were calculated as a function of altitude from these cross sections and those currently recommended for atmospheric modeling. The calculated j values from the cross sections generated in this work predict a shorter photolysis lifetime for HOCl above 28 km. This results in a 6 to 19% decrease in the predicted HOCl diurnal average concentration in the altitude region 28 to 34 km, respectively, compared to the concentrations predicted by the currently recommended cross sections.

  9. Study on excitation and fluorescence spectrums of Japanese citruses to construct machine vision systems for acquiring fluorescent images

    NASA Astrophysics Data System (ADS)

    Momin, Md. Abdul; Kondo, Naoshi; Kuramoto, Makoto; Ogawa, Yuichi; Shigi, Tomoo

    2011-06-01

    Research was conducted to acquire knowledge of the ultraviolet and visible spectrums from 300 -800 nm of some common varieties of Japanese citrus, to investigate the best wave-lengths for fluorescence excitation and the resulting fluorescence wave-lengths and to provide a scientific background for the best quality fluorescent imaging technique for detecting surface defects of citrus. A Hitachi U-4000 PC-based microprocessor controlled spectrophotometer was used to measure the absorption spectrum and a Hitachi F-4500 spectrophotometer was used for the fluorescence and excitation spectrums. We analyzed the spectrums and the selected varieties of citrus were categorized into four groups of known fluorescence level, namely strong, medium, weak and no fluorescence.The level of fluorescence of each variety was also examined by using machine vision system. We found that around 340-380 nm LEDs or UV lamps are appropriate as lighting devices for acquiring the best quality fluorescent image of the citrus varieties to examine their fluorescence intensity. Therefore an image acquisition device was constructed with three different lighting panels with UV LED at peak 365 nm, Blacklight blue lamps (BLB) peak at 350 nm and UV-B lamps at peak 306 nm. The results from fluorescent images also revealed that the findings of the measured spectrums worked properly and can be used for practical applications such as for detecting rotten, injured or damaged parts of a wide variety of citrus.

  10. Theoretical investigations of absorption and fluorescence spectra of protonated pyrene.

    PubMed

    Chin, Chih-Hao; Lin, Sheng Hsien

    2016-05-25

    The equilibrium geometry and 75 vibrational normal-mode frequencies of the ground and first excited states of protonated pyrene isomers were calculated and characterized in the adiabatic representation by using the complete active space self-consistent field (CASSCF) method. Electronic absorption spectra of solid neon matrixes in the wavelength range 495-415 nm were determined by Maier et al. and they were analyzed using time-dependent density functional theory calculations (TDDFT). CASSCF calculations and absorption and emission spectra simulations by one-photon excitation equations were used to optimize the excited and ground state structures of protonated pyrene isomers. The absorption band was attributed to the S0 → S1 electronic transition in 1H-Py(+), and a band origin was used at 20580.96 cm(-1). The displaced harmonic oscillator approximation and Franck-Condon approximation were used to simulate the absorption spectrum of the (1) (1)A' ← X[combining tilde](1)A' transition of 1H-Py(+), and the main vibronic transitions were assigned for the first ππ* state. It shows that the vibronic structures were dominated by one of the eight active totally symmetric modes, with ν15 being the most crucial. This indicates that the electronic transition of the S1((1)A') state calculated in the adiabatic representation effectively includes a contribution from the adiabatic vibronic coupling through Franck-Condon factors perturbed by harmonic oscillators. The present method can adequately reproduce experimental absorption and fluorescence spectra of a gas phase. PMID:27181017

  11. 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)

  12. Self-absorption Effects on Alpha-Induced Atmospheric Nitrogen Fluorescence Yield

    SciTech Connect

    Bachelor, Paula P.; Jordan, David V.; Harper, Warren W.; Cannon, Bret D.; Finn, Erin C.

    2009-12-01

    Nitrogen fluorescence induced by alpha, beta and gamma radiation can be used to detect the presence of radioactive contamination in the environment. Successful measurement of fluorescence yield involves a number of factors, including: known fluorescence signal rate during the measurement; the effective alpha spectrum of the radioactive sources used in the measurement; optical attenuation length of the fluorescence signal in air during the measurement; the absolute throughput of the instrumentation; calibration of the instrumentation; and radiation transport modeling of the "effective" array exposure rate given the spectrum of the alpha particles. Field testing of optical instrumentation was conducted to measure the nitrogen fluorescence yield from the alpha radiation generated from americium-241 (241Am) decay. The 241Am test sources were prepared by direct evaporation of ~1 mCi in nitric acid solution, and some solids were visible on the surface of the sources. A laboratory study was conducted with lower activities of 241Am to determine whether the presence of solids on the surface of the sources prepared both by direct evaporation and by electrodeposition onto stainless steel disks produced sufficient self-absorption to cause a decrease in expected fluorescence. Alpha spectroscopy was used to determine the apparent activity of the sources versus the known activity deposited on the surface. Results from the self-absorption laboratory studies were used to correct the activity values in the model and calculate the nitrogen fluorescence generated by the 241Am during the field experiments.

  13. Photoadaptation in marine phytoplankton: changes in spectral absorption and excitation of chlorophyll a fluorescence

    SciTech Connect

    Neori, A.; Holm-Hansen, O.; Mitchell, B.G.; Kiefer, D.A.

    1984-10-01

    The optical properties of marine phytoplankton were examined by measuring the absorption spectra and fluorescence excitation spectra of chlorophyll a for natural marine particles collected on glass fiber filters. Samples were collected at different depths from stations in temperate waters of the Southern California Bight and in polar waters of the Scotia and Ross Seas. At all stations, phytoplankton fluorescence excitation and absorption spectra changed systematically with depth and vertical stability of the water columns. In samples from deeper waters, both absorption and chlorophyll a fluorescence excitation spectra showed enhancement in the blue-to-green portion of the spectrum (470-560 nm) relative to that at 440 nm. Since similar changes in absorption and excitation were induced by incubating sea water samples at different light intensities, the changes in optical properties can be attributed to photoadaptation of the phytoplankton. The data indicate that in the natural populations studied, shade adaptation caused increases in the concentration of photosynthetic accessory pigments relative to chlorophyll a. These changes in cellular pigment composition were detectable within less than 1 day. Comparisons of absorption spectra with fluorescence excitation spectra indicate an apparent increase in the efficiency of sensitization of chlorophyll a fluorescence in the blue and green spectral regions for low light populations. 30 references, 6 figures.

  14. Absorption Reconstruction Improves Biodistribution Assessment of Fluorescent Nanoprobes Using Hybrid Fluorescence-mediated Tomography

    PubMed Central

    Gremse, Felix; Theek, Benjamin; Kunjachan, Sijumon; Lederle, Wiltrud; Pardo, Alessa; Barth, Stefan; Lammers, Twan; Naumann, Uwe; Kiessling, Fabian

    2014-01-01

    Aim: Fluorescence-mediated tomography (FMT) holds potential for accelerating diagnostic and theranostic drug development. However, for proper quantitative fluorescence reconstruction, knowledge on optical scattering and absorption, which are highly heterogeneous in different (mouse) tissues, is required. We here describe methods to assess these parameters using co-registered micro Computed Tomography (µCT) data and nonlinear whole-animal absorption reconstruction, and evaluate their importance for assessment of the biodistribution and target site accumulation of fluorophore-labeled drug delivery systems. Methods: Besides phantoms with varying degrees of absorption, mice bearing A431 tumors were imaged 15 min and 48 h after i.v. injection of a fluorophore-labeled polymeric drug carrier (pHPMA-Dy750) using µCT-FMT. The outer shape of mice and a scattering map were derived using automated segmentation of the µCT data. Furthermore, a 3D absorption map was reconstructed from the trans-illumination data. We determined the absorption of five interactively segmented regions (heart, liver, kidney, muscle, tumor). Since blood is the main near-infrared absorber in vivo, the absorption was also estimated from the relative blood volume (rBV), determined by contrast-enhanced µCT. We compared the reconstructed absorption with the rBV-based values and analyzed the effect of using the absorption map on the fluorescence reconstruction. Results: Phantom experiments demonstrated that absorption reconstruction is possible and necessary for quantitative fluorescence reconstruction. In vivo, the reconstructed absorption showed high values in strongly blood-perfused organs such as the heart, liver and kidney. The absorption values correlated strongly with the rBV-based absorption values, confirming the accuracy of the absorption reconstruction. Usage of homogenous absorption instead of the reconstructed absorption map resulted in reduced values in the heart, liver and kidney, by

  15. Blue satellites of absorption spectrum study of sodium based excimer-pumped alkali vapor laser

    NASA Astrophysics Data System (ADS)

    Hu, Shu; Gai, Baodong; Guo, Jingwei; Tan, Yannan; Liu, Jinbo; Li, Hui; Cai, Xianglong; Shi, Zhe; Liu, Wanfa; Jin, Yuqi; Sang, Fengting

    2015-02-01

    Sodium based excimer-pump alkali laser (Na-XPAL) is expected to be an efficient method to generate sodium beacon light, but the information about the spectroscopic characters of Na-XPAL remains sparse so far. In this work, we utilized the relative fluorescence intensity to study the absorption spectrum of blue satellites of complexes of sodium with different collision partners. The yellow fluorescence of Na D1 and D2 line was clearly visible. After processing the fluorescence intensity and the input pumping laser relative intensity, we obtained the Na-CH4 system's blue satellites was from 553nm to 556nm. Meanwhile, we experimentally demonstrated the Na-Ar and Na-Xe system's wavelength range of blue satellites. Also, it was observed that the Na-Xe system's absorption was stronger than the other two systems.

  16. Fluorofluorophores: Fluorescent Fluorous Chemical Tools Spanning the Visible Spectrum

    PubMed Central

    2014-01-01

    “Fluoro” refers to both fluorescent and fluorinated compounds. Despite the shared prefix, there are very few fluorescent molecules that are soluble in perfluorinated solvents. This paucity is surprising, given that optical microscopy is a ubiquitous technique throughout the physical sciences and the orthogonality of fluorous materials is a commonly exploited strategy in synthetic chemistry, materials science, and chemical biology. We have addressed this shortage by synthesizing a panel of “fluorofluorophores,” fluorescent molecules containing high weight percent fluorine with optical properties spanning the visible spectrum. We demonstrate the utility of these fluorofluorophores by preparing fluorescent perfluorocarbon nanoemulsions. PMID:25229987

  17. Fluorofluorophores: fluorescent fluorous chemical tools spanning the visible spectrum.

    PubMed

    Sletten, Ellen M; Swager, Timothy M

    2014-10-01

    "Fluoro" refers to both fluorescent and fluorinated compounds. Despite the shared prefix, there are very few fluorescent molecules that are soluble in perfluorinated solvents. This paucity is surprising, given that optical microscopy is a ubiquitous technique throughout the physical sciences and the orthogonality of fluorous materials is a commonly exploited strategy in synthetic chemistry, materials science, and chemical biology. We have addressed this shortage by synthesizing a panel of "fluorofluorophores," fluorescent molecules containing high weight percent fluorine with optical properties spanning the visible spectrum. We demonstrate the utility of these fluorofluorophores by preparing fluorescent perfluorocarbon nanoemulsions. PMID:25229987

  18. Extreme-ultraviolet absorption spectrum of Ga+

    NASA Astrophysics Data System (ADS)

    Dunne, P.; O'sullivan, G.; Ivanov, V. K.

    1993-12-01

    Time-resolved photoabsorption spectra of gallium plasmas have been photographed in the 50-450-Å region using the dual-laser-produced-plasma technique. The absorbing plasmas were produced by focusing the output of a Q-switched ruby laser onto slab targets while the background continuum was produced by focusing the output of a Nd:YAG oscillator-amplifier system (where Nd:YAG denotes neodymium-doped yttrium-aluminum-garnet) onto a samarium or hafnium target. At 130-ns delay between the two pulses the spectrum recorded was due almost exclusively to Ga+. We have observed transitions due to both 3d and 3p excitation. In the former case we identified 3d104s2-3d94s2nf and 3d94s2np series converging on the 2D3/2 and 2D5/2 limits of Ga2+. In the 3p case no strong transitions were observed because of line broadening by super-Coster-Kronig decay of the 3p hole. The identifications were made by comparison with the predictions of Hartree-Fock and Dirac-Fock atomic-structure codes. Many-body calculations were also performed which proved invaluable in estimating the effects of different decay processes. The theoretical predictions are compared with the experimental data.

  19. On the Absorption Spectrum of Noble Gases at the Arc Spectrum Limit

    PubMed Central

    Fano, Ugo; Pupillo, Guido; Zannoni, Alberto; Clark, Charles W.

    2005-01-01

    Rydberg spectral lines of an atom are sometimes superimposed on the continuous spectrum of a different configuration. Effects of interaction among different configurations in one of these cases are theoretically investigated, and a formula is obtained that describes the behavior of absorption spectrum intensity. This offers qualitative justification of some experimental results obtained by BEUTLER in studies of absorption arc spectra of noble gases and Ib spectra of some metal vapors. PMID:27308180

  20. Optical absorption spectrum of Cu 2+ in calcium tartrate tetrahydrate

    NASA Astrophysics Data System (ADS)

    Swamy, Y. K. R.; Reddy, P. P.; Reddy, Y. P.

    1980-02-01

    Copper doped single crystals of calcium tartrate tetrahydrate are grown from silica gel. The optical absorption spectrum is investigated with polarised and unpolarised beams of incident light. The spectrum is attributed to the Cu 2+ ion in C 4V symmetry associated with spin-orbit coupling. The following crystal field parameters are evaluated: Dq = 1000 cm -1; λ = -830 cm -1; Ds = 1540 cm -1; Dt = 470 cm -1.

  1. Atomic Absorption, Atomic Fluorescence, and Flame Emission Spectrometry.

    ERIC Educational Resources Information Center

    Horlick, Gary

    1984-01-01

    This review is presented in six sections. Sections focus on literature related to: (1) developments in instrumentation, measurement techniques, and procedures; (2) performance studies of flames and electrothermal atomizers; (3) applications of atomic absorption spectrometry; (4) analytical comparisons; (5) atomic fluorescence spectrometry; and (6)…

  2. 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.

  3. A high resolution x-ray fluorescence spectrometer for near edge absorption studies

    SciTech Connect

    Stojanoff, V.; Hamalainen, K.; Siddons, D.P.; Hastings, J.B.; Berman, L.E.; Cramer, S.; Smith, G.

    1991-01-01

    A high resolution fluorescence spectrometer using a Johann geometry in a back scattering arrangement was developed. The spectrometer, with a resolution of 0.3 eV at 6.5 keV, combined with an incident beam, with a resolution of 0.7 eV, form the basis of a high resolution instrument for measuring x-ray absorption spectra. The advantages of the instrument are illustrated with the near edge absorption spectrum of dysprosium nitrate. 10 refs., 4 figs.

  4. A high resolution x-ray fluorescence spectrometer for near edge absorption studies

    SciTech Connect

    Stojanoff, V.; Hamalainen, K.; Siddons, D.P.; Hastings, J.B.; Berman, L.E.; Cramer, S.; Smith, G.

    1991-12-31

    A high resolution fluorescence spectrometer using a Johann geometry in a back scattering arrangement was developed. The spectrometer, with a resolution of 0.3 eV at 6.5 keV, combined with an incident beam, with a resolution of 0.7 eV, form the basis of a high resolution instrument for measuring x-ray absorption spectra. The advantages of the instrument are illustrated with the near edge absorption spectrum of dysprosium nitrate. 10 refs., 4 figs.

  5. [Laser Induced Fluorescence Spectrum Characteristics of Paddy under Nitrogen Stress].

    PubMed

    Yang, Jian; Shi, Shuo; Gong, Wei; Du, Lin; Zhu, Bo; Ma, Ying-ying; Sun, Jia

    2016-02-01

    Order to guide fertilizing andreduce waste of resources as well as enviro nmental pollution, especially eutrophication, which are caused by excessive fertilization, a system of laser-induced fluorescence(LIF) was built. The system aimed to investigate the correlation between nitrogen(N) content of paddy leaf and the fluorescence intensity. We measuredNcontent and SPAD of paddy leaf (the samples came from the second upper leaves of paddy in tillering stage and the study area was located in Jianghan plain of China) by utilizing the Plant Nutrient (Tester TYS-3N). The fluorescence spectrum was also obtained by using the systembuilt based on theLIFtechnology. Fluorescence spectra of leaf with different N-content were collected and then a fluorescence spectra database wasestablished. It is analyzed that the relationship between the parameters of fluorescence (F₇₄₀/F₆₈₅ is the ratio of fluorescence intensity of 740 nm. dividing that of 685 nm) and the N level of paddy. It is found that the effect of different N-content on the fluorescence spectrum characteristics is significant. The experiment demonstrated the positive correlation between fluorescence parameters and paddy leaf N-content. Results showed a positive linear correlation between the ratio of peak fluorescence (F₇₄₀/F₆₈₅) and N-content The correlation coefficient (r) reached 0.871 8 and the root mean square error (RMSE) was 0.076 82. The experiment demonstrated that LIF spectroscopy detection technology has the advantages of rapidand non-destructive measurement, and it also has the potential to measure plant content of nutrient elements. It will provide a more accurate remote sensing method to rapidly detect the crop nitrogen levels. PMID:27209764

  6. Discrimination of Dental Caries Using Colorimetric Characteristics of Fluorescence Spectrum.

    PubMed

    Chen, Qingguang; Zhu, Haihua; Xu, Ying; Lin, Bin; Chen, Hui

    2015-01-01

    The feasibility of colorimetric parameters for the discrimination of the stages of dental caries based on a light-induced autofluorescence spectrum at a 405-nm excitation wavelength was investigated. The fluorescence spectra of 4 groups of tooth samples (10 sound, 10 early-stage decay, 14 established decay, and 10 severe decay), which were classified by the International Caries Detection and Assessment System, were experimentally measured in vitro. The carious lesion samples had an additional fluorescence peak at around 627 nm. The mathematical relation of the fluorescence spectrum and human color perception was established and computed. With increasing severity, the fluorescence color changed from green to yellow according to the colorimetric parameters of the CIE 1931 (x, y) chromaticity coordinates and dominant wavelengths. The results from a one-way ANOVA of the dominant wavelength showed a statistically significant difference among the 4 classified groups. The colorimetric parameters of the light-induced fluorescence spectrum can potentially be applied to evaluate the various carious levels. PMID:26112288

  7. 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.

  8. A fluorescent benzothiazole probe with efficient two-photon absorption

    NASA Astrophysics Data System (ADS)

    Echevarria, Lorenzo; Moreno, Iván; Camacho, José; Salazar, Mary Carmen; Hernández, Antonio

    2012-11-01

    In this work, we report the two-photon absorption of 2-[4-(dimethylamino)phenyl]-1,3-benzothiazole-6-carbonitrile (DBC) in DMSO solution pumping at 779 nm with a 10 ns pulse laser-Nd:YAG system. The obtained two-photon absorption cross-section in DBC (407 ± 18 GM) is considerably high. Because DBC is a novel compound and have high values of fluorescence quantum yield, this result is expected to have an impact in biomolecules detection, diagnosis and treatment of cancer. Similar structures have previously been reported to show remarkable antitumour effects.

  9. Absorption and Transport of Fluorescent Brighteners by Microorganisms

    PubMed Central

    Darken, Marjorie A.

    1962-01-01

    The absorption of brighteners by living cells and their transport to subsequent growth is described. Brighteners are highly fluorescent, ultraviolet-absorbing compounds which appear to be essentially nontoxic, stable biological markers. They have been effectively absorbed by growing cultures of bacteria, yeasts, actinomycetes, and higher fungi, with active growth centers evidencing the greatest flourescence. Images FIG. 2 FIG. 3 FIG. 4 FIG. 5 FIG. 6 FIG. 7 FIG. 8 FIG. 9 FIG. 10-11 PMID:14025111

  10. Absorption and Fluorescence Properties of Chromophoric Dissolved Organic Matter Produced by Algae.

    PubMed

    Peng, Tong; Lu, Xiao-lan; Su, Rong-guo; Zhang, Dong-mei

    2015-09-01

    Four kinds of diatom (Chaetoceros curvisetus, Phaeodactylum tricornutum, Nitzschia closterium f. minutissima and Navicula halophile) and two kinds of dinoflagellates (Prorocentrum donghaiense and Gymnodinium) were cultured under laboratory conditions. Variations of optical properties of chromophoric dissolved organic matter (CDOM) were studied with absorption and fluorescence excitation-emission matrix spectroscopy(EEM) during growth of marine microalgae in incubation experiment. Absorption spectrum revealed absorption coefficient a(355) (CDOM absorption coefficients at 355 nm) of 6 kinds of marine microalgae above increased by 64.8%, 242.3%, 535.1%, 903.2%, 836% and 196.4%, respectively. Simultaneously, the absorption spectral slope (Sg), determined between 270 and 350 nm, representing the size of molecular weight of CDOM and humic-like composition, decreased by 8.7%, 34.6%, 39.4%, 53.1%, 46.7%, and 35.7%, respectively. Applying parallel factor analysis (PARAFAC) together with EEM got four components of CDOM: C1(Ex/Em=350(260) nm/450 nm), C2 (Ex/Em=260(430) nm/525 nm), C3 (Ex/Em=325 nm/400 nm) and C4(Ex/Em=275 nm/325 nm), which were relative to three humic-like and one protein-like fluorescent components of Nitzschia closterium f. minutissima and Navicula halophile. In incubation experiment, fluorescence intensity of these four components during growth of Nitzschia closterium f. minutissima increased by, respectively, 8.68, 24.9, 7.19 and 39.8 times, and those of Navicula halophile increased by 2.64, 0.07, 4.39 and 12.4 times, respectively. Significant relationships were found between the fluorescence intensity of four components of CDOM, a(355) and Sg. All results demonstrated that both content and molecular weight of CDOM produced by diatom and dinoflagellate studied in incubation experiment increased, but these two parameters changed more obviously of the diatom than those of dinoflagellate; the proportion of humic-like components in the composition of CDOM

  11. Absorption and fluorescent spectral studies of imidazophenazine derivatives.

    PubMed

    Ryazanova, O A; Zozulya, V N; Voloshin, I M; Karachevtsev, V A; Makitruk, V L; Stepanian, S G

    2004-07-01

    Absorption and fluorescent spectra as well as fluorescence polarization degree of imidazo-[4,5-d]-phenazine (F1) and its two modified derivatives, 2-trifluoridemethylimidazo-[4,5-d]-phenazine (F2) and 1,2,3-triazole-[4,5-d]-phenazine (F3), were investigated in organic solvents of various polarities and hydrogen bonding abilities. Extinction coefficients of F2 and F3 are increased, their fluorescence Stokes shifts are reduced in comparison with those for unmodified imidazophenazine. For F3 a red shift of the longwave absorption band is observed by 15-20 nm. Modifications of imidazophenazine have led to a sufficient increase of fluorescence polarization degrees that enables to use F2 and F3 as promising fluorescent probes with polarization method application. The configuration, atomic charge distribution and dipole moments of the isolated dye molecules in the ground state were calculated by the DFT method. The computation has revealed that ground state dipole moments of F1, F2, and F3 differ slightly and are equal to 3.5, 3.2, and 3.7D, respectively. The changes in dipole moments upon the optical excitation for all derivatives estimated using Lippert equation were found to be Deltamu = 9 D. The energies of the electronic S1<--S0 transition in solvents of different proton donor abilities were determined, and energetic diagram illustrating the substituent effect was plotted. For nucleoside analogs of these compounds, covalently incorporated into a nucleotide chain, we have considered a possibility to use them as fluorescent reporters of hybridization of antisense oligonucleotides, as well as molecular anchors for its stabilization. PMID:15248979

  12. Failure of Energy Transfer between Identical Aromatic Molecules on Excitation at the Long Wave Edge of the Absorption Spectrum

    PubMed Central

    Weber, Gregorio; Shinitzky, Meir

    1970-01-01

    Electronic energy transfer among identical molecules has been followed by the depolarization of the fluorescence in concentrated solutions as well as in dimers, polymers, and micelle systems. In the many aromatic fluorophores examined, unlike a few nonaromatic ones, transfer is much decreased or altogether undetectable on excitation at the red edge of the absorption spectrum. The phenomenon is not due to the transfer taking place during a small fraction of the total fluorescence lifetime, nor is it explainable by a decrease in overlap of absorption and emission upon edge excitation. PMID:16591825

  13. The Absorption Spectrum of the η Car Ejecta

    NASA Astrophysics Data System (ADS)

    Nielsen, K. E.; Viera, G.; Gull, T. R.

    2005-09-01

    The ultraviolet spectrum of η Car and the very nearby ejecta is dominated by complex wind profiles of the extended atmosphere. Increasingly from the STIS NUV to FUV, absorption features from the ejecta and the interstellar medium are superimposed. The absorption from the foreground ejecta display a velocity dispersion between -650 > v > -100 km s-1, with two easily separated components at -146 and -513 km s-1. These two velocities components have earlier been determined to be formed at very different distances from the central source (Gull et al. 2004), and seem to be linked to Little Homunculus and the Homunculus, respectively.The -146 and -513 km s-1 components show different ionization structures. While the -146 km s-1 component shows a spectrum from almost exclusively singly ionized iron group elements, the fast -513 km s-1 has a lower excitation temperature and consequently shows lines from both neutral and singly ionized species. H2 has a huge impact on the spectrum between 1200 to 1650 Å{} and can for some regions completely describe the ejecta spectrum. The ejecta vary in absorption throughout the spectroscopic period. The -146 km s-1 component strengthens when the minimum approaches. The fast component is not significantly affected across the minimum, however, the molecular lines show a dramatic decrease in intensity likely caused by the drop of FUV radiation reaching the -513 km s-1 ejecta. In this spectral range interstellar features such as S II, C II, C IV, Si II and Si IV have a significant impact on the spectrum. We used an earlier study by Walborn et al. (2002) to estimate the ISM's influence on the η Car spectrum. Many of the interstellar lines show a large velocity dispersion (-388 to +127 km s-1). Within 0.1 arcsec of the central source, STIS resolves spatial features at the 0.25 arcsec scale. A number of strong emission lines are observable in the spectrum and associable with the Weigelt blobs B and C. During the minimum when the FUV and X

  14. Photoionization and absorption spectrum of formaldehyde in the vacuum ultraviolet.

    NASA Technical Reports Server (NTRS)

    Mentall, J. E.; Gentieu, E. P.; Krauss, M.; Neumann, D.

    1971-01-01

    The measurements have been conducted in the spectral range from 600 to 2000 A. Integrated oscillator strengths were determined for a number of strong Rydberg transitions above 1200 A. From the photoionization curve the first adiabatic ionization potential was found to be 10.87 plus or minus 0.01 eV. As an aid in interpreting the absorption spectrum, theoretical calculations were made using a single-configuration self-consistent field procedure for the Rydberg states and a model which included mixing between the Rydberg and valence states.

  15. Polarized fluorescence and absorption of macroscopically aligned Light Harvesting Complex II.

    PubMed Central

    van Amerongen, H; Kwa, S L; van Bolhuis, B M; van Grondelle, R

    1994-01-01

    Polarized absorption and fluorescence measurements have been performed at 77 K on isotropic and anisotropic preparations of trimeric Light Harvesting Complex II (LHC-II) from spinach. The results enable a decomposition of the absorption spectrum into components parallel and perpendicular to the trimeric plane. For the first time, it is shown quantitatively that the strong absorption band around 676 nm is polarized essentially parallel to the plane of the trimer, i.e., the average angle between the corresponding transition dipole moments and this plane is at most 12 degrees. The different absorption bands for LHC-II should not be considered as corresponding to individual pigments but to collective excitations of different pigments. Nevertheless, the average angle between the Qy transition dipole moments of all chlorophyll a pigments in LHC-II and the trimeric plane could be determined and was found to be 17.5 degrees +/- 2.5 degrees. For the chlorophyll b pigments, this angle is significantly larger (close to 35 degrees). At 77 K, most of the fluorescence stems from a weak band above 676 nm and the corresponding transition dipole moments are oriented further out of plane than the dipole moments corresponding to the 676-nm band. The results are shown to be of crucial significance for understanding the relation between the LHC-II structure and its spectroscopy. PMID:7948696

  16. Excitonic Effects and Optical Absorption Spectrum of Doped Graphene

    NASA Astrophysics Data System (ADS)

    Jornada, Felipe; Deslippe, Jack; Louie, Steven

    2012-02-01

    First-principles calculations based on the GW-Bethe-Salpeter Equation (GW-BSE) approach and subsequent experiments have shown large excitonic effects in the optical absorbance of graphene. Here we employ the GW-BSE formalism to probe the effects of charge carrier doping and of having an external electric field on the absorption spectrum of graphene. We show that the absorbance peak due to the resonant exciton exhibits systematic changes in both its position and profile when graphene is gate doped by carriers, in excellent agreement to very recent measurementsootnotetextTony F. Heinz, private communications.. We analyze the various contributions to these changes in the absorption spectrum, such as the effects of screening by carriers to the quasiparticle energies and electron-hole interactions. This work was supported by National Science Foundation Grant No. DMR10-1006184, the U.S. Department of Energy under Contract No. DE-AC02-05CH11231, and the U.S. DOD - Office of Naval Research under RTC Grant No. N00014-09-1-1066. Computer time was provided by NERSC.

  17. 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.

  18. [Analysis of fluorescence spectrum of petroleum-polluted water].

    PubMed

    Huang, Miao-Fen; Song, Qing-Jun; Xing, Xu-Feng; Jian, Wei-Jun; Liu, Yuan; Zhao, Zu-Long

    2014-09-01

    In four ratio experiments, natural waters, sampled from the mountain reservoir and the sea water around Dalian city, were mixed with the sewage from petroleum refinery and petroleum exploitation plants. The fluorescence spectra of water samples containing only chromophoric dissolved organic matters(CDOM), samples containing only petroleum, and samples containing a mixture of petroleum and CDOM were analyzed, respectively. The purpose of this analysis is to provide a basis for determining the contribution of petroleum substances and CDOM to the total absorption coefficient of the petroleum-contaminated water by using fluorescence technique. The results showed that firstly, CDOM in seawater had three main fluorescence peaks at Ex: 225-230 nm/Em: 320-330 nm, Ex: 280 nm/Em: 340 nm and Ex: 225-240 nm/Em: 430-470 nm, respectively, and these may arise from the oceanic chlorophyll. CDOM in natural reservoir water had two main fluorescence peaks at EX: 240- 260 nm/Em: 420-450 nm and Ex: 310~350 nm/Em: 420--440 nm, respectively, and these may arise from the terrestrial sources; secondly, the water samples containing only petroleum extracted with n-hexane had one to three fluorescence spectral peaksat Ex: 220-240 nm/Em: 320-340 nm, Ex: 270-290 nm/Em: 310-340 nm and Ex: 220-235 nm/Em: 280-310 nm, respectively, caused by their hydrocarbon component; finally, the water samples containing both petroleum and CDOM showed a very strong fluorescence peak at Ex: 230-250 nm/Em: 320-370 nm, caused by the combined effect of CDOM and petroleum hydrocarbons. PMID:25532346

  19. Absorption and fluorescence of alexandrite and of titanium in sapphire and glass

    NASA Technical Reports Server (NTRS)

    Byvik, C. E.; Hess, R. V.; Buoncristiani, A. M.

    1985-01-01

    The fluorescence and absorption data for titanium in crystalline sapphire and titanium doped into two silicate and one phosphate glass structures are analyzed. It is observed that the Ti-doped silicate glass sample exhibits no absorption related to the Ti(III) ion, the Ti-doped phosphate glass is deep blue, the absorption line width of the glass samples are a factor of two larger than that of sapphire, and the absorption peak for the Ti in the glass shifted about 100 nm to the red from the Ti:sapphire absorption peak. This shift reveals that the Ti(III) ion is sensitive to the crystalline environment and not to the glass environment. The photoluminescence spectra for Ti-doped sapphire and alexandrite are compared. It is detected that the Ti:sapphire exhibits a broader spectrum than that for alexandrite with a peak at 750 nm. The three zero phonon transitions of Ti:Al2O3 at liquid nitrogen temperatures are studied.

  20. 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.

  1. 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.

  2. 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

    2014-02-01

    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. PMID:23711543

  3. Performance of fluorescence retrieval methods and fluorescence spectrum reconstruction under various sensor spectral configurations

    NASA Astrophysics Data System (ADS)

    Li, Rong; Zhao, Feng

    2015-10-01

    Solar-induced chlorophyll fluorescence is closely related to photosynthesis and can serve as an indicator of plant status. Several methods have been proposed to retrieve fluorescence signal (Fs) either at specific spectral bands or within the whole fluorescence emission region. In this study, we investigated the precision of the fluorescence signal obtained through these methods under various sensor spectral characteristics. Simulated datasets generated by the SCOPE (Soil Canopy Observation, Photochemistry and Energy fluxes) model with known `true' Fs as well as an experimental dataset are exploited to investigate four commonly used Fs retrieval methods, namely the original Fraunhofer Line Discriminator method (FLD), the 3 bands FLD (3FLD), the improved FLD (iFLD), and the Spectral Fitting Methods (SFMs). Fluorescence Spectrum Reconstruction (FSR) method is also investigated using simulated datasets. The sensor characteristics of spectral resolution (SR) and signal-to-noise ratio (SNR) are taken into account. According to the results, finer SR and SNR both lead to better accuracy. Lowest precision is obtained for the FLD method with strong overestimation. Some improvements are made by the 3FLD method, but it still tends to overestimate. Generally, the iFLD method and the SFMs provide better accuracy. As to FSR, the shape and magnitude of reconstructed Fs are generally consistent with the `true' Fs distributions when fine SR is exploited. With coarser SR, however, though R2 of the retrieved Fs may be high, large bias is likely to be obtained as well.

  4. Solvent-induced multicolour fluorescence of amino-substituted 2,3-naphthalimides studied by fluorescence and transient absorption measurements.

    PubMed

    Fujii, Mayu; Namba, Misa; Yamaji, Minoru; Okamoto, Hideki

    2016-07-01

    A series of amino-2,3-naphthalimide derivatives having the amino functionality at 1-, 5- and 6-positions (, and , respectively) were prepared, and their photophysical properties were systematically investigated based on the measurements of steady-state absorption and fluorescence spectra, fluorescence lifetimes as well as transient absorption spectra. The s efficiently fluoresced in solution, and the emission spectra appreciably shifted depending on the solvent polarity. displayed only a slight fluorescence red-shift upon increasing the solvent polarity. In contrast, and showed marked positive solvatofluorochromism with large Stokes shifts displaying multicolour fluorescence; the fluorescence colours of and varied from violet-blue in hexane to orange-red in methanol. and , thus, serve as micro-environment responding fluorophores. In methanol, the intensity of the fluorescence emission band of and significantly reduced. Based on the fluorescence quantum yields and lifetimes, and transient absorption measurements, it has been revealed that internal conversion from the S1 state of s to the ground state was accelerated by the protic medium, resulting in a reduction in their fluorescence efficiency, while intersystem crossing from the S1 state to a triplet state was not responsible for the decrease of fluorescence intensity. PMID:27251860

  5. Recognition of edible oil by using BP neural network and laser induced fluorescence spectrum

    NASA Astrophysics Data System (ADS)

    Mu, Tao-tao; Chen, Si-ying; Zhang, Yin-chao; Guo, Pan; Chen, He; Zhang, Hong-yan; Liu, Xiao-hua; Wang, Yuan; Bu, Zhi-chao

    2013-09-01

    In order to accomplish recognition of the different edible oil we set up a laser induced fluorescence spectrum system in the laboratory based on Laser induced fluorescence spectrum technology, and then collect the fluorescence spectrum of different edible oil by using that system. Based on this, we set up a fluorescence spectrum database of different cooking oil. It is clear that there are three main peak position of different edible oil from fluorescence spectrum chart. Although the peak positions of all cooking oil were almost the same, the relative intensity of different edible oils was totally different. So it could easily accomplish that oil recognition could take advantage of the difference of relative intensity. Feature invariants were extracted from the spectrum data, which were chosen from the fluorescence spectrum database randomly, before distinguishing different cooking oil. Then back propagation (BP) neural network was established and trained by the chosen data from the spectrum database. On that basis real experiment data was identified by BP neural network. It was found that the overall recognition rate could reach as high as 83.2%. Experiments showed that the laser induced fluorescence spectrum of different cooking oil was very different from each other, which could be used to accomplish the oil recognition. Laser induced fluorescence spectrum technology, combined BP neural network,was fast, high sensitivity, non-contact, and high recognition rate. It could become a new technique to accomplish the edible oil recognition and quality detection.

  6. Describing two-photon absorptivity of fluorescent proteins with a new vibronic coupling mechanism.

    PubMed

    Drobizhev, M; Makarov, N S; Tillo, S E; Hughes, T E; Rebane, A

    2012-02-01

    Fluorescent proteins (FPs) are widely used in two-photon microscopy as genetically encoded probes. Understanding the physical basics of their two-photon absorption (2PA) properties is therefore crucial for creation of two-photon brighter mutants. On the other hand, it can give us better insight into molecular interactions of the FP chromophore with a complex protein environment. It is known that, compared to the one-photon absorption spectrum, where the pure electronic transition is the strongest, the 2PA spectrum of a number of FPs is dominated by a vibronic transition. The physical mechanism of such intensity redistribution is not understood. Here, we present a new physical model that explains this effect through the "Herzberg-Teller"-type vibronic coupling of the difference between the permanent dipole moments in the ground and excited states (Δμ) to the bond-length-alternating coordinate. This model also enables us to quantitatively describe a large variability of the 2PA peak intensity in a series of red FPs with the same chromophore through the interference between the "Herzberg-Teller" and Franck-Condon terms. PMID:22224830

  7. Temperature dependence of the far-infrared absorption spectrum of gaseous methane.

    NASA Astrophysics Data System (ADS)

    Codastefano, P.; Dore, P.; Nencini, L.

    The rototranslational absorption spectrum of gaseous methane has been measured at seven different temperatures from 296 to 140 K. The authors have analyzed both the spectral moments and the experimental absorption shapes, assuming that only octupolar and hexadecapolar induction mechanisms contribute to the absorption. This assumption allows to parameterize the temperature dependence of both the intensity and the shape of the absorption band. The results obtained indicate that other contributions to absorption are not negligible.

  8. Spectral Interferences Manganese (Mn) - Europium (Eu) Lines in X-Ray Fluorescence Spectrometry Spectrum

    NASA Astrophysics Data System (ADS)

    Tanc, Beril; Kaya, Mustafa; Gumus, Lokman; Kumral, Mustafa

    2016-04-01

    X-ray fluorescence (XRF) spectrometry is widely used for quantitative and semi quantitative analysis of many major, minor and trace elements in geological samples. Some advantages of the XRF method are; non-destructive sample preparation, applicability for powder, solid, paste and liquid samples and simple spectrum that are independent from chemical state. On the other hand, there are some disadvantages of the XRF methods such as poor sensitivity for low atomic number elements, matrix effect (physical matrix effects, such as fine versus course grain materials, may impact XRF performance) and interference effect (the spectral lines of elements may overlap distorting results for one or more elements). Especially, spectral interferences are very significant factors for accurate results. In this study, semi-quantitative analyzed manganese (II) oxide (MnO, 99.99%) was examined. Samples were pelleted and analyzed with XRF spectrometry (Bruker S8 Tiger). Unexpected peaks were obtained at the side of the major Mn peaks. Although sample does not contain Eu element, in results 0,3% Eu2O3 was observed. These result can occur high concentration of MnO and proximity of Mn and Eu lines. It can be eliminated by using correction equation or Mn concentration can confirm with other methods (such as Atomic absorption spectroscopy). Keywords: Spectral Interferences; Manganese (Mn); Europium (Eu); X-Ray Fluorescence Spectrometry Spectrum.

  9. [Synthesis and spectrum of novel pyrazoline fluorescent compounds].

    PubMed

    Liu, Qiu-Jun; Gao, Lei; Wang, Lei; Xie, Zhi-Yuan; Li, Dong-Feng

    2009-10-01

    Pyrazoline derivatives have been used widely in dyeing industry as fluorescent whitening agents due to their excellent capability. According to Schellhammer theory of the relation between chemical structure and fluorescent quality, six new fluorescent compounds were designed and synthesized which contained the benzothiazole group in the 1-pyrazoline, the indole group in the 3-pyrazoline and the derivatives of phenyl in the 5-pyrazoline. The structure of target compounds was confirmed by IR, 1H NMR, MS and elementary analysis. The fluorescence spectra showed that these compounds had good fluorescence. They could absorb ultraviolet light at near 353 nm. The fluorescence maximum emission wavelengths were about 430-443 nm. It was a kind of promising fluorescence compounds. The largest fluorescence emission wavelength and the fluorescence intensity were related to the substituted group of the compounds. When the 6-Br group was introduced into benzothiazole, the fluorescence emission wavelength exhibited a blue shift, and the fluorescence intensity increased. Otherwise, the CH3 group was introduced into benzothiazole, the fluorescence emission wavelength red-shift occurred, and the intensity was lower. The fluorescence quantum yield of the compounds was little affected by the substituted group and polarity of the solvent The relative fluorescence intensity and fluorescence quantum yield were not directly related. PMID:20038066

  10. Spectroscopy of α,ω-dithienyl polyenes: evidence for two-photon absorption states from fluorescence studies

    NASA Astrophysics Data System (ADS)

    Natarajan, Lalgudi V.; Kirkpatrick, Sean M.; Sutherland, Richard L.; Sowards, Laura A.; Spangler, Charles W.; Fleitz, Paul A.; Cooper, Thomas M.

    1998-10-01

    The photophysics of a series (alpha) ,(omega) -dithienyl polyenes was studied. Both one photon excited fluorescence and fluorescence originating from two photon absorption states were investigated. There is strong evidence of two photon absorption from fluorescence studies in agreement with our earlier studies involving nonlinear absorption.

  11. A portable system for noninvasive assessment of advanced glycation end-products using skin fluorescence and reflectance spectrum

    NASA Astrophysics Data System (ADS)

    Wang, Y. K.; Zhu, L.; Zhang, L.; Zhang, G.; Liu, Y.; Wang, A.

    2012-07-01

    An optical system has been developed for noninvasive assessment of skin advanced glycation end-products (AGEs). The system comprises mainly a high-power ultraviolet light emitting diode (LED) as an excitation source, an LED array for the reflectance measurement, a trifurcated fiber-optic probe for light transmitting and receiving, and a compact spectrometer for light detecting. Both skin fluorescence of a subject and the reflectance spectrum of the same site can be obtained in a single measurement with the system. Demonstrative measurements with the system have been conducted. Results indicate that the measured reflectance spectrum can be used to compensate for the distortion of AGEs fluorescence, which is caused by skin absorption and scattering. The system is noninvasive, portable, easy to operate, and has potential applications for clinical diagnosis of AGE-related diseases, especially diabetes mellitus.

  12. Nitric oxide γ band fluorescent scattering and self-absorption in the mesosphere and lower thermosphere

    NASA Astrophysics Data System (ADS)

    Stevens, Michael H.

    1995-08-01

    The fluorescent scattering of UV sunlight and self-absorption by the nitric oxide (NO) γ bands between 2000-2500 Å are quantified for the purpose of inferring NO density profiles as a function of altitude in the mesosphere and above. Rotational line emission rate factors and cross sections are calculated at a variety of temperatures. The observed variation of the solar spectrum across the γ bands and its effect on emission rate factors are explored by using irradiance measurements that resolve features down to 0.1 Å. The model also includes quenching by O2 and N2, multiple scattering, temperature effects, attenuation of the solar irradiance by O2 and ozone, and self-absorption with the summation of adjacent rotational features. Results indicate that for resonant γ bands, the rotational structure in emission is not symmetric to that in absorption so that as self-absorption increases the shape of the observed emission envelope changes. For γ(1,0) this is largely characterized by an increase in the integrated emission observed longward of 2151 Å compared to shortward. It is found that solar irradiances measured at 0.1 Å resolution decrease the calculated γ(1,0) and γ(0,0) band emission rate factors by less than 3% compared to those measured at 2 Å resolution. However, more Fraunhofer structure included in the calculation is reflected in the relative intensities of the rotational features. It is also found that extinction of the solar irradiance by ozone and quenching by O2 rapidly reduce the γ(1,0) emission rate factor with decreasing altitude below 60 km.

  13. [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

  14. 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.

  15. Log spiral of revolution highly oriented pyrolytic graphite monochromator for fluorescence x-ray absorption edge fine structure

    SciTech Connect

    Pease, D. M.; Daniel, M.; Budnick, J. I.; Rhodes, T.; Hammes, M.; Potrepka, D. M.; Sills, K.; Nelson, C.; Heald, S. M.; Brewe, D. I.

    2000-09-01

    We have constructed an x-ray monochromator based on a log spiral of revolution covered with highly oriented pyrolytic graphite. Such a monochromator is used for obtaining x-ray absorption edge fine structure by the fluorescence method, and is particularly useful for measuring the fine structure of dilute element A in a concentrated matrix of element B, where B is to the left of A in the Periodic Table. Using the log spiral monochromator, we measure good Cr x-ray fine structure in an alloy of 1% Cr in a V matrix, whereas the corresponding spectrum is severely distorted by the V background if nonmonochromatized fluorescence is used. We also obtain excellent rejection of Mn fluorescence relative to Cr fluorescence in a Cr{sub 80}Mn{sub 20} alloy, and can tune the monochromator such that the entire Mn step height is significantly smaller than the Cr x-ray absorption edge fine structure oscillations for this system. (c) 2000 American Institute of Physics.

  16. 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.

  17. Fluorescence excitation spectrum of bilirubin in blood: a model for the action spectrum for phototherapy of neonatal jaundice.

    PubMed

    Lamola, Angelo A; Russo, Marie

    2014-01-01

    A recent report (Lamola et al. 2013 Pediatric Research, 74, 54-60) presents a semiempirical model for facile calculation of an action spectrum for bilirubin photochemistry in vivo using the most current knowledge of the optics of neonatal skin. The calculations indicate that competition for phototherapy light by hemoglobin in the skin is the predominant factor that defines the spectrum of light absorbed by bilirubin. If the latter is correct, a valid physical analog of the calculated spectrum is the excitation spectrum of bilirubin in blood. The fluorescence excitation spectrum was recorded and, indeed, found to be very similar to the calculated spectrum. Both spectra exhibit maxima near 476 nm and widths at half height of about 50 nm. This result supports the conclusion that light between 460 and 490 nm is most effective for phototherapy of neonatal jaundice. PMID:23998276

  18. Picosecond time-resolved absorption and fluorescence dynamics in the artificial bacteriorhodopsin pigment BR6.11.

    PubMed Central

    Brack, T. L.; Delaney, J. K.; Atkinson, G. H.; Albeck, A.; Sheves, M.; Ottolenghi, M.

    1993-01-01

    The picosecond molecular dynamics in an artificial bacteriorhodopsin (BR) pigment containing a structurally modified all-trans retinal chromphore with a six-membered ring bridging the C11=C12-C13 positions (BR6.11) are measured by picosecond transient absorption and picosecond time-resolved fluorescence spectroscopy. Time-dependent intensity and spectral changes in absorption in the 570-650-nm region are monitored for delays as long as 5 ns after the 7-ps, 573-nm excitation of BR6.11. Two intermediates, J6.11 and K6.11/1, both with enhanced absorption to the red (> 600 nm) of the BR6.11 spectrum are observed within approximately 50 ps. The J6.11 intermediate decays with a time constant of 12 +/- 3 ps to form K6.11/1. The K6.11/1 intermediate decays with an approximately 100-ps time constant to form a third intermediate, K6.11/2, which is observed through diminished 650-nm absorption (relative to that of K6.11/1). No other transient absorption changes are found during the remainder of the initial 5-ns period of the BR6.11 photoreaction. Fluorescence in the 650-900-nm region is observed from BR6.11, K6.11/1, and K6.11/2, but no emission assignable to J6.11 is found. The BR6.11 fluroescence spectrum has a approximately 725-nm maximum which is blue-shifted by approximately 15 nm relative to that of native BR-570 and is 4.2 +/- 1.5 times larger in intensity (same sample optical density). No differences in the profile of the fluorescence spectra of BR6.11 and the intermediates K6.11/1 and K6.11/2 are observed. Following ground-state depletion of the BR6.11 population, the time-resolved fluroescence intensity monitored at 725 nm increases with two time constants, 12 +/- 3 and approximately 100 ps, both of which correlate well with changes in the picosecond transient absorption data. The resonance Raman spectrum of ground-state BR6.11, measured with low-energy, 560-nm excitation, is significantly different from the spectrum of native BR-570, thus confirming that the

  19. Optical fiber sensor system for oil contamination measurement based on 3D fluorescence spectrum parameterization

    NASA Astrophysics Data System (ADS)

    Shang, Liping; Shi, Jinshan

    2000-10-01

    In recent years oil contamination in water is more serious and destroys the mode of life and relation to water body environments. Excitation fluorescence method is one of the main approaches to monitor oil contamination on line. But average intensity of oil fluorescence only indicates its density, not indicates the type of contamination oil. Two-dimensional fluorescence spectrum is more difficult to determine the kind of oil, because the different oil has fluorescence spectrum overlapping to a great extent. In this paper, the 3D fluorescence spectrum parameterization is introduced. It can extract several characteristic parameters to measure the kid of oil to be measured. A prototype of optical fiber 3D fluorescence spectrum meter we developed carries out the identification of different oil types, such as crude oil, diesel oil and kerosene. The experiment arrangement conceived to measure pulse xenon lamp induced of oil component in water. The experiment results state clearly that the 3D fluorescence spectrum parameterization and software are successful to measure oil density and identify the type of oil in situ.

  20. Evidence for excitation of fluorescence in RPE melanin by multiphoton absorption

    NASA Astrophysics Data System (ADS)

    Glickman, Randolph D.; Rockwell, Benjamin A.; Noojin, Gary D.; Stolarski, David J.; Denton, Michael L.

    2002-06-01

    Previously, we reported that ultrashort, near infrared (NIR) laser pulses caused more DNA breakage in cultured retinal pigment epithelial (RPE) cells than did CW, NIR laser radiation delivering a similar radiant exposure. We hypothesized that this difference was due to multiphoton absorption in an intracellular chromophore such as the RPE melanin. We investigated two-photon excitation of fluorescence in a suspension of isolated bovine RPE melanosomes exposed to a 1-KHz train of approximately 50- fsec laser pulses at 810 nm from a Ti:Sapphire laser, and compared this to the fluorescence excited by CW exposures at 406 nm from a Krypton ion laser. Fluorescence was measured with a PC-based spectrometer. The CW sources excited fluorescence with a peak at 525 nm. The fluorescence intensity depended on the irradiance of the sample, as well as the melanosome concentration. Peak fluorescence was obtained with a suspension of ~2 x 107 melanin granules/ml. The 810-nm, ultrashort pulses also excited fluorescence, but with a broader, lower-amplitude peak. The weaker fluorescence signal excited by the 810-nm ultrashort pulse laser for a given melanosome concentration, compared to 406-nm CW excitation, is possibly due to the smaller two- photon absorption cross-section. These results indicate the involvement of multiphoton absorption in DNA damage.

  1. Quantitative absorption and fluorescence studies of NO between 1060 and 2000 A

    NASA Technical Reports Server (NTRS)

    Guest, J. A.; Lee, L. C.

    1981-01-01

    Synchrotron radiation in the 1060 to 2000 A region was used to measure the average absorption and fluorescence cross sections of NO and to determine approximate photodissociation quantum yields. Several vibrational levels of the D(2) sigma(+), E(2) sigma(+), and B(2) delta states have high fluorescence quantum yields. The C(2) and B(2) states do not fluoresce when the excitation energies are above the first dissociation limit, in accord with previous experiments. In general, the fluorescence yields decrease with increasing photon energy. The quantitative measurements are compared with spectroscopic observations and are found to be reasonably consistent.

  2. Optical absorption components of light-modulated absorption spectrum of CdS

    NASA Technical Reports Server (NTRS)

    Conway, E. J.; Long, E. R.

    1975-01-01

    The amplitude and decay coefficient of light-induced modulation of absorption (LIMA) was measured as a function of wavelength from 535 to 850 nm for single-crystal CdS. The decay coefficient exhibited a discontinuous resonance at 710 nm which was due to the overlap and cancellation of two opposing absorption changes. A method was developed to separate these opposing absorption changes using the measured decay coefficients. The discrete-level-to-band energy for one absorption change was found to be 1.64 eV. An improved model was developed which contains two associated levels in the band gap separated by 0.32 eV.

  3. The interstellar absorption-line spectrum of Mu Ophiuchi

    NASA Technical Reports Server (NTRS)

    Cardelli, J.; Boehm-Vitense, E.

    1982-01-01

    UV interstellar lines have been measured on high-resolution, long- and short-wavelength IUE spectra of the B8 V star Mu Oph. Column densities for the observed atoms and ions have been determined as well as turbulent velocities. The interstellar spectrum of Mu Oph is similar to the ones for Rho Oph and Zeta Oph. The ionization equilibria of several elements give consistent limits for the electron density. The C I line arising from different fine-structure levels are studied to yield estimates on the physical conditions in the cloud. Relative depletion of elements in the cloud seen in the interstellar spectrum of Mu Oph follows the same pattern as seen in the interstellar spectra of Zeta Oph and six other stars in the Rho Oph cloud complex.

  4. Influence of nanorod absorption spectrum width on superluminality effect for laser pulse propagation

    NASA Astrophysics Data System (ADS)

    Trofimov, Vyacheslav A.; Lysak, Tatiana M.

    2016-03-01

    We investigate the influence of the finite absorption spectrum width on the soliton formation and superluminality phenomenon at a femtosecond pulse propagation in a medium with noble nanoparticles. These effects take place if a positive phase-amplitude grating is induced by laser radiation. We take into account the two-photon absorption (TPA) of laser radiation by nanorods, and time-dependent nanorod aspect ratio changing due to their melting or reshaping because of laser energy absorption, and the nanorod absorption spectrum width. On the basis of computer simulation we demonstrate these effects in a medium with positive phase-amplitude grating, induced by laser radiation, if a weak laser energy absorption takes place on the laser pulse dispersion length.

  5. Characterization and measurement results of fluorescence in absorption optical filter glass

    NASA Astrophysics Data System (ADS)

    Reichel, S.; Biertümpfel, R.; Engel, A.

    2015-09-01

    Optical filter glasses (absorption filters) are for example used for spectroscopy. The filter glass absorbs the unwanted light and has a nearly angle independent spectral characteristic. The absorbed light can lead to (self-) fluorescence, i. e. the filter glass itself re-emits fluorescence light at a different wavelength - compared to the incident (excitation) light. This fluorescence light can disturb the measurement signal. In order to obtain an optimized optical design the fluorescence properties of the glasses must be known. By knowing fluorescence properties one can design a system with a good signal-to-noise ratio. We will present our measurement set-up for fluorescence measurements of optical filter glass. This set-up was used to obtain fluorescence measurement results for different optical filter glasses. For the first time we present results on the fluorescence level for different optical filter glasses. In addition the effect of excitation wavelength on the fluorescence level will be studied. Besides other factors, fluorescence depends on impurities of the raw material of the glass melt. Due to small fluctuations of the raw material used for the glass production the fluorescence of the same filter glass type can fluctuate from melt-to-melt. Thus, results from different melts will be shown for the same filter glass type.

  6. Magnetic fluorescent lamp having reduced ultraviolet self-absorption

    DOEpatents

    Berman, Samuel M.; Richardson, Robert W.

    1985-01-01

    The radiant emission of a mercury-argon discharge in a fluorescent lamp assembly (10) is enhanced by providing means (30) for establishing a magnetic field with lines of force along the path of electron flow through the bulb (12) of the lamp assembly, to provide Zeeman splitting of the ultraviolet spectral line. Optimum results are obtained when the magnetic field strength causes a Zeeman splitting of approximately 1.7 times the thermal line width.

  7. Chemometric analysis for extraction of individual fluorescence spectrum and lifetimes from a target mixture

    NASA Technical Reports Server (NTRS)

    Hallidy, William H. (Inventor); Chin, Robert C. (Inventor)

    1999-01-01

    The present invention is a system for chemometric analysis for the extraction of the individual component fluorescence spectra and fluorescence lifetimes from a target mixture. The present invention combines a processor with an apparatus for generating an excitation signal to transmit at a target mixture and an apparatus for detecting the emitted signal from the target mixture. The present invention extracts the individual fluorescence spectrum and fluorescence lifetime measurements from the frequency and wavelength data acquired from the emitted signal. The present invention uses an iterative solution that first requires the initialization of several decision variables and the initial approximation determinations of intermediate matrices. The iterative solution compares the decision variables for convergence to see if further approximation determinations are necessary. If the solution converges, the present invention then determines the reduced best fit error for the analysis of the individual fluorescence lifetime and the fluorescence spectrum before extracting the individual fluorescence lifetime and fluorescence spectrum from the emitted signal of the target mixture.

  8. Vibronic Structures in Absorption and Fluorescence Spectra of Firefly Oxyluciferin in Aqueous Solutions.

    PubMed

    Hiyama, Miyabi; Noguchi, Yoshifumi; Akiyama, Hidefumi; Yamada, Kenta; Koga, Nobuaki

    2015-01-01

    To elucidate the factors determining the spectral shapes and widths of the absorption and fluorescence spectra for keto and enol oxyluciferin and their conjugate bases in aqueous solutions, the intensities of vibronic transitions between their ground and first electronic excited states were calculated for the first time via estimation of the vibrational Franck-Condon factors. The major normal modes, overtones and combination tones in absorption and fluorescence spectra are similar for all species. The theoretical full widths at half maximum of absorption spectra are 0.4-0.7 eV and those for the fluorescence spectra are 0.4-0.5 eV, except for phenolate-keto that exhibits exceptionally sharp peak widths due to the dominance of the 0-0' or 0'-0 band. These spectral shapes and widths explain many relevant features of the experimentally observed spectra. PMID:25946599

  9. Far wing depolarization of light - Generalized absorption profiles. [in laser fluorescence spectroscopy of Sr vapor

    NASA Technical Reports Server (NTRS)

    Thomann, P.; Burnett, K.; Cooper, J.

    1981-01-01

    An absorption (and/or emission) event which takes place during a strong collision is called a 'correlated event'. It is discussed how correlated events affect the far red wing depolarization of fluorescence. Attention is given to an atomic vapor which is irradiated by linearly polarized light of a frequency on the red side of the resonance line. Two limiting cases are considered, corresponding to excitation in the impact region and in the quasi-static wing. In the quasi-static wing, absorption of a photon followed by fluorescence (rather than Rayleigh scattering), occurs mostly during a collision. Correlated events dominate the scattering process. Expressions derived for the polarization of the fluorescent light are applied to far red wing depolarization. It is found that the polarization of the fluorescent light does not go to zero in the far wing, but depends crucially on the detailed nature of the anisotropy in the long-range part of the interatomic potential.

  10. Spectral analysis on origination of the bands at 437 nm and 475.5 nm of chlorophyll fluorescence excitation spectrum in Arabidopsis chloroplasts.

    PubMed

    Zeng, Lizhang; Wang, Yongqiang; Zhou, Jun

    2016-05-01

    Chlorophyll fluorescence has been often used as an intrinsic optical molecular probe to study photosynthesis. In this study, the origin of bands at 437 and 475.5 nm in the chlorophyll fluorescence excitation spectrum for emission at 685 nm in Arabidopsis chloroplasts was investigated using various optical analysis methods. The results revealed that this fluorescence excitation spectrum was related to the absorption characteristics of pigment molecules in PSII complexes. Moreover, the excitation band centred at 475.5 nm had a blue shift, but the excitation band at 437 nm changed relatively less due to induction of non-photochemical quenching (NPQ). Furthermore, fluorescence emission spectra showed that this blue shift occurred when excitation energy transfer from both chlorophyll b (Chl b) and carotenoids (Cars) to chlorophyll a (Chl a) was blocked. These results demonstrate that the excitation band at 437 nm was mainly contributed by Chl a, while the excitation band at 475.5 nm was mainly contributed by Chl b and Cars. The chlorophyll fluorescence excitation spectrum, therefore, could serve as a useful tool to describe specific characteristics of light absorption and energy transfer between light-harvesting pigments. Copyright © 2015 John Wiley & Sons, Ltd. PMID:26358732

  11. Study of the Many Fluorescent Lines and the Absorption Variability in GX 301-2 with XMM-Newton

    NASA Technical Reports Server (NTRS)

    Fuerst, F.; Suchy, S.; Kreykenbohm, I.; Barragan, L.; Wilms, J.; Pottschmidt, K.; Caballero, I.; Kretschmar, P.; Ferrigno, C.; Rothschild, R. E.

    2011-01-01

    We present an in-depth study of the High Mass X-ray Binary (HMXB) GX 301-2 during its pre-periastron flare using data from the XMM-Newton satellite. The energy spectrum shows a power law continuum absorbed by a large equivalent hydrogen column on the order of 10(exp 24)/ sq cm and a prominent Fe K-alpha fluorescent emission line. Besides the Fe K-alpha line, evidence for Fe K-Beta, Ni K-alpha, Ni K-Beta, S K-alpha, Ar K-alpha, Ca K-alpha, and Cr K-alpha fluorescent lines is found. The observed line strengths are consistent with fluorescence in a cold absorber. This is the first time that Cr K-alpha is seen in emission in the X-ray spectrum of a HMXB. In addition to the modulation by the strong pulse period of approx 685 sec the source is highly variable and shows different states of activity. We perform time-resolved as well as pulse-to-pulse resolved spectroscopy to investigate differences between these states of activity. We find that fluorescent line fluxes are strongly variable and generally follow the overall flux. The N-H value is variable by a factor of 2, but not correlated to continuum normalization. We find an interval of low flux in the light curve in which the pulsations cease almost completely, without any indication of an increasing absorption column. We investigate this dip in detail and argue that it is most likely that during the dip the accretion ceased and the afterglow of the fluorescent iron accounted for the main portion of the X-ray flux. A similar dip was found earlier in RXTE data, and we compare our findings to these results.

  12. [Chlorophyll fluorescence spectrum analysis of greenhouse cucumber disease and insect damage].

    PubMed

    Sui, Yuan-yuan; Yu, Hai-ye; Zhang, Lei; Luo, Han; Ren, Shun; Zhao, Guo-gang

    2012-05-01

    The present paper is based on chlorophyll fluorescence spectrum analysis. The wavelength 685 nm was determined as the primary characteristic point for the analysis of healthy or disease and insect damaged leaf by spectrum configuration. Dimensionality reduction of the spectrum was achieved by combining simple intercorrelation bands selection and principal component analysis (PCA). The principal component factor was reduced from 10 to 5 while the spectrum information was kept reaching 99.999%. By comparing and analysing three modeling methods, namely the partial least square regression (PLSR), BP neural network (BP) and least square support vector machine regression (LSSVMR), regarding correlation coefficient of true value and predicted value as evaluation criterion, eventually, LSSVMR was confirmed as the appropriate method for modeling of greenhouse cucumber disease and insect damage chlorophyll fluorescence spectrum analysis. PMID:22827075

  13. Fluorescence Spectrum of SiO in an Argon Matrix

    NASA Astrophysics Data System (ADS)

    Scullman, R.; Hormes, J.; Schroeder, W.; Wiggenhauser, H.

    1987-04-01

    Fluorescence from SiO matrix isolated in argon has been investigated in the wavelength region 120-300 nm. Fluorescence emission spectra from the valence states, A1Π, E1Σ+ and G1Π, revealed that nearly all radiation comes from one channel at 305 nm, which was analysed as originating from the b3Π-X1Σ+ transition. Contrary to the A1Π and G1Π states, the E1Σ+ state also decays radiatively, although weakly, through two other channels situated in the vicinity of 305 nm. These two channels were believed to originate from the a3Σ+-X1Σ+ and e3Σ--X1Σ+ transitions.

  14. 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.

  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. PMID:19240934

  16. Small fluorescence-activating and absorption-shifting tag for tunable protein imaging in vivo

    PubMed Central

    Plamont, Marie-Aude; Billon-Denis, Emmanuelle; Maurin, Sylvie; Gauron, Carole; Pimenta, Frederico M.; Specht, Christian G.; Shi, Jian; Quérard, Jérôme; Pan, Buyan; Rossignol, Julien; Moncoq, Karine; Morellet, Nelly; Volovitch, Michel; Lescop, Ewen; Chen, Yong; Triller, Antoine; Vriz, Sophie; Le Saux, Thomas; Jullien, Ludovic; Gautier, Arnaud

    2016-01-01

    This paper presents Yellow Fluorescence-Activating and absorption-Shifting Tag (Y-FAST), a small monomeric protein tag, half as large as the green fluorescent protein, enabling fluorescent labeling of proteins in a reversible and specific manner through the reversible binding and activation of a cell-permeant and nontoxic fluorogenic ligand (a so-called fluorogen). A unique fluorogen activation mechanism based on two spectroscopic changes, increase of fluorescence quantum yield and absorption red shift, provides high labeling selectivity. Y-FAST was engineered from the 14-kDa photoactive yellow protein by directed evolution using yeast display and fluorescence-activated cell sorting. Y-FAST is as bright as common fluorescent proteins, exhibits good photostability, and allows the efficient labeling of proteins in various organelles and hosts. Upon fluorogen binding, fluorescence appears instantaneously, allowing monitoring of rapid processes in near real time. Y-FAST distinguishes itself from other tagging systems because the fluorogen binding is highly dynamic and fully reversible, which enables rapid labeling and unlabeling of proteins by addition and withdrawal of the fluorogen, opening new exciting prospects for the development of multiplexing imaging protocols based on sequential labeling. PMID:26711992

  17. Small fluorescence-activating and absorption-shifting tag for tunable protein imaging in vivo.

    PubMed

    Plamont, Marie-Aude; Billon-Denis, Emmanuelle; Maurin, Sylvie; Gauron, Carole; Pimenta, Frederico M; Specht, Christian G; Shi, Jian; Quérard, Jérôme; Pan, Buyan; Rossignol, Julien; Moncoq, Karine; Morellet, Nelly; Volovitch, Michel; Lescop, Ewen; Chen, Yong; Triller, Antoine; Vriz, Sophie; Le Saux, Thomas; Jullien, Ludovic; Gautier, Arnaud

    2016-01-19

    This paper presents Yellow Fluorescence-Activating and absorption-Shifting Tag (Y-FAST), a small monomeric protein tag, half as large as the green fluorescent protein, enabling fluorescent labeling of proteins in a reversible and specific manner through the reversible binding and activation of a cell-permeant and nontoxic fluorogenic ligand (a so-called fluorogen). A unique fluorogen activation mechanism based on two spectroscopic changes, increase of fluorescence quantum yield and absorption red shift, provides high labeling selectivity. Y-FAST was engineered from the 14-kDa photoactive yellow protein by directed evolution using yeast display and fluorescence-activated cell sorting. Y-FAST is as bright as common fluorescent proteins, exhibits good photostability, and allows the efficient labeling of proteins in various organelles and hosts. Upon fluorogen binding, fluorescence appears instantaneously, allowing monitoring of rapid processes in near real time. Y-FAST distinguishes itself from other tagging systems because the fluorogen binding is highly dynamic and fully reversible, which enables rapid labeling and unlabeling of proteins by addition and withdrawal of the fluorogen, opening new exciting prospects for the development of multiplexing imaging protocols based on sequential labeling. PMID:26711992

  18. Experimental and theoretical comparison between absorption, total electron yield, and fluorescence spectra of rare-earth M{sub 5} edges

    SciTech Connect

    Pompa, M.; Flank, A.M.; Lagarde, P.; Rife, J.C.; Stekhin, I.; Nakazawa, M.; Ogasawara, H.; Kotani, A.

    1997-07-01

    Besides the now well-known self-absorption effect, several phenomena related to the multiplet structure of the intermediate state may occur which render x-ray fluorescence different from the true absorption in 3d transition metals at the L edge and at the M{sub 4,5} edges of rare earths. Special selection rules of the radiative de-excitation process play an important role there. We have measured the absorption coefficient of thin films of lanthanum, samarium, and thulium deposited on an aluminum foil, at room temperature, through the simultaneous detection of the transmission, total electron yield, and 150-eV bandwidth fluorescence yield. The latter result shows differences as compared to the other two, and exhibits polarization effects depending upon the angle between incident and outgoing photons. The resonant x-ray fluorescence spectrum is calculated using an atomic model, and then integrated over the emitted energy, to predict the fluorescence yield spectrum. Very good agreement is obtained between the theory and experiment. {copyright} {ital 1997} {ital The American Physical Society}

  19. Performance Characteristics of Compact Mobile LIFS (Laser-Induced Fluorescence Spectrum) Lidar

    NASA Astrophysics Data System (ADS)

    Tomida, Takayuki; Nishizawa, Naoto; Sakurai, Kosuke; Suganumata, Hikaru; Tsukada, Shodai; Song, Sung-Moo; Park, Ho-Dong; Saito, Yasunori

    2016-06-01

    We developed a compact but versatile laser-induced fluorescence spectrum (LIFS) lidar that has potential use for material or aerosol identification outside experimental rooms. The compactness and mobility of the LIFS lidar means observations can be more freely conducted at any place and any time. Its performance characteristics were validated by threedimensional fluorescence imaging of targets and remote detection of quasi bio/organic aerosols.

  20. Analyzing fluorophore electronic structure and depolarization by fluorescence polarizing angle spectrum

    SciTech Connect

    Mu, Taotao; Chen, Siying Zhang, Yinchao; Chen, He; Guo, Pan

    2014-07-21

    In this Letter, a method, based on stokes parameters, is developed to observe the angular displacement between the excitation and emission moments. Experiments demonstrate that when combined with degree of polarization spectrums, we can acquire the depolarization caused by angular displacement or energy migration. The method presented in this Letter can be easily realized with the existing fluorescence measuring system and may potentially make it convenient to study the fluorophore electronic structure or the mechanism of fluorescence anisotropy.

  1. Fluorescence, Absorption, and Excitation Spectra of Polycyclic Aromatic Hydrocarbons as a Tool for Quantitative Analysis

    ERIC Educational Resources Information Center

    Rivera-Figueroa, A. M.; Ramazan, K. A.; Finlayson-Pitts, B. J.

    2004-01-01

    A quantitative and qualitative study of the interplay between absorption, fluorescence, and excitation spectra of pollutants called polycyclic aromatic hydrocarbons (PAHs) is conducted. The study of five PAH displays the correlation of the above-mentioned properties along with the associated molecular changes.

  2. Orthogonal spectra and cross sections: Application to optimization of multi-spectral absorption and fluorescence lidar

    SciTech Connect

    Shokair, I.R.

    1997-09-01

    This report addresses the problem of selection of lidar parameters, namely wavelengths for absorption lidar and excitation fluorescence pairs for fluorescence lidar, for optimal detection of species. Orthogonal spectra and cross sections are used as mathematical representations which provide a quantitative measure of species distinguishability in mixtures. Using these quantities, a simple expression for the absolute error in calculated species concentration is derived and optimization is accomplished by variation of lidar parameters to minimize this error. It is shown that the optimum number of wavelengths for detection of a species using absorption lidar (excitation fluorescence pairs for fluorescence lidar) is the same as the number of species in the mixture. Each species present in the mixture has its own set of optimum wavelengths. There is usually some overlap in these sets. The optimization method is applied to two examples, one using absorption and the other using fluorescence lidar, for analyzing mixtures of four organic compounds. The effect of atmospheric attenuation is included in the optimization process. Although the number of optimum wavelengths might be small, it is essential to do large numbers of measurements at these wavelengths in order to maximize canceling of statistical errors.

  3. Two-photon absorption spectrum of the photoinitiator Lucirin TPO-L

    NASA Astrophysics Data System (ADS)

    Mendonca, C. R.; Correa, D. S.; Baldacchini, T.; Tayalia, P.; Mazur, E.

    2008-03-01

    Two-photon absorption induced polymerization provides a powerful method for the fabrication of intricate three-dimensional microstructures. Recently, Lucirin TPO-L was shown to be a photoinitiator with several advantageous properties for two-photon induced polymerization. Here we measure the two-photon absorption cross-section spectrum of Lucirin TPO-L, which presents a maximum of 1.2 GM at 610 nm. Despite its small two-photon absorption cross-section, it is possible to fabricate excellent microstructures by two-photon polymerization due to the high polymerization quantum yield of Lucirin TPO-L. These results indicate that optimization of the two-photon absorption cross-section is not the only material parameter to be considered when searching for new photoinitiators for microfabrication via two-photon absorption.

  4. Fluorescence spectra decomposition by asymmetric functions: Laurdan spectrum revisited.

    PubMed

    Bacalum, Mihaela; Zorilă, Bogdan; Radu, Mihai

    2013-09-15

    Due to their asymmetric nature, complex fluorescence spectra of molecules can be analyzed much better by log-normal distributions than by Gaussian ones. So far, the log-normal function has been used for deconvolution of emission spectra of different fluorescent molecules, such as Tryptophan and Prodan, but to our knowledge it is far less used for Laurdan (2-dimethylamino-6-lauroylnaphthalene). In this article, we present the decomposition of Laurdan emission spectra in large unilamellar vesicles using a procedure that relies on the log-normal asymmetric function. The procedure was calibrated using Laurdan spectra in homogeneous solutions of various solvents. Comparing our results with the ones obtained from a Gaussian fit, we show that (i) the position of the elementary peaks (~440 and 490 nm) is preserved in a large range of temperatures that include the main phase transition of lipid bilayer and (ii) the bilayer hydration, as reported by Laurdan, increases approximately 8 times from the gel phase to the liquid crystalline one, a result that fits with other reports, providing a more realistic description. In addition, we propose a new parameter to globally evaluate Laurdan emission spectra with the prospect of acquiring a larger range of values than the classical "generalized polarization". PMID:23747535

  5. 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.

  6. 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.

  7. Experimental recovery of intrinsic fluorescence and fluorophore concentration in the presence of hemoglobin: spectral effect of scattering and absorption on fluorescence

    NASA Astrophysics Data System (ADS)

    Du Le, Vinh Nguyen; Patterson, Michael S.; Farrell, Thomas J.; Hayward, Joseph E.; Fang, Qiyin

    2015-12-01

    The ability to recover the intrinsic fluorescence of biological fluorophores is crucial to accurately identify the fluorophores and quantify their concentrations in the media. Although some studies have successfully retrieved the fluorescence spectral shape of known fluorophores, the techniques usually came with heavy computation costs and did not apply for strongly absorptive media, and the intrinsic fluorescence intensity and fluorophore concentration were not recovered. In this communication, an experimental approach was presented to recover intrinsic fluorescence and concentration of fluorescein in the presence of hemoglobin (Hb). The results indicated that the method was efficient in recovering the intrinsic fluorescence peak and fluorophore concentration with an error of 3% and 10%, respectively. The results also suggested that chromophores with irregular absorption spectra (e.g., Hb) have more profound effects on fluorescence spectral shape than chromophores with monotonic absorption and scattering spectra (e.g., black India ink and polystyrene microspheres).

  8. 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 +}.

  9. 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.

  10. [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. PMID:21284148

  11. Enhanced squeezing by absorption

    NASA Astrophysics Data System (ADS)

    Grünwald, P.; Vogel, W.

    2016-04-01

    Absorption is usually expected to be detrimental to quantum coherence effects. However, there have been few studies into the situation for complex absorption spectra. We consider the resonance fluorescence of excitons in a semiconductor quantum well. The creation of excitons requires absorption of the incoming pump-laser light. Thus, the absorption spectrum of the medium acts as a spectral filter for the emitted light. Surprisingly, absorption can even improve quantum effects, as is demonstrated for the squeezing of the resonance fluorescence of the quantum-well system. This effect can be explained by an improved phase matching due to absorption.

  12. Optical and structural properties of plasma-treated Cordyceps bassiana spores as studied by circular dichroism, absorption, and fluorescence spectroscopy

    NASA Astrophysics Data System (ADS)

    Lee, Geon Joon; Sim, Geon Bo; Choi, Eun Ha; Kwon, Young-Wan; Kim, Jun Young; Jang, Siun; Kim, Seong Hwan

    2015-01-01

    To understand the killing mechanism of fungal spores by plasma treatment, the optical, structural, and biological properties of the insect pathogenic fungus Cordyceps bassiana spores were studied. A nonthermal atmospheric-pressure plasma jet (APPJ) was used to treat the spores in aqueous solution. Optical emission spectra of the APPJ acquired in air indicated emission peaks corresponding to hydroxyl radicals and atomic oxygen. When the APPJ entered the aqueous solution, additional reactive species were derived from the interaction of plasma radicals with the aqueous solution. Fluorescence and absorption spectroscopy confirmed the generation of hydroxyl radicals and hydrogen peroxide in the plasma-activated water (PAW). Spore counting showed that plasma treatment significantly reduced spore viability. Absorption spectroscopy, circular dichroism (CD) spectroscopy, and agarose gel electrophoresis of the DNA extracted from plasma-treated spores showed a reduction in spore DNA content. The magnitude of the dip in the CD spectrum was lower in the plasma-treated spores than in the control, indicating that plasma treatment causes structural modifications and/or damage to cellular components. Tryptophan fluorescence intensity was lower in the plasma-treated spores than in the control, suggesting that plasma treatment modified cell wall proteins. Changes in spore viability and DNA content were attributed to structural modification of the cell wall by reactive species coming from the APPJ and the PAW. Our results provided evidence that the plasma radicals and the derived reactive species play critical roles in fungal spore inactivation.

  13. Optical and structural properties of plasma-treated Cordyceps bassiana spores as studied by circular dichroism, absorption, and fluorescence spectroscopy

    SciTech Connect

    Lee, Geon Joon Sim, Geon Bo; Choi, Eun Ha; Kim, Jun Young; Jang, Siun; Kim, Seong Hwan

    2015-01-14

    To understand the killing mechanism of fungal spores by plasma treatment, the optical, structural, and biological properties of the insect pathogenic fungus Cordyceps bassiana spores were studied. A nonthermal atmospheric-pressure plasma jet (APPJ) was used to treat the spores in aqueous solution. Optical emission spectra of the APPJ acquired in air indicated emission peaks corresponding to hydroxyl radicals and atomic oxygen. When the APPJ entered the aqueous solution, additional reactive species were derived from the interaction of plasma radicals with the aqueous solution. Fluorescence and absorption spectroscopy confirmed the generation of hydroxyl radicals and hydrogen peroxide in the plasma-activated water (PAW). Spore counting showed that plasma treatment significantly reduced spore viability. Absorption spectroscopy, circular dichroism (CD) spectroscopy, and agarose gel electrophoresis of the DNA extracted from plasma-treated spores showed a reduction in spore DNA content. The magnitude of the dip in the CD spectrum was lower in the plasma-treated spores than in the control, indicating that plasma treatment causes structural modifications and/or damage to cellular components. Tryptophan fluorescence intensity was lower in the plasma-treated spores than in the control, suggesting that plasma treatment modified cell wall proteins. Changes in spore viability and DNA content were attributed to structural modification of the cell wall by reactive species coming from the APPJ and the PAW. Our results provided evidence that the plasma radicals and the derived reactive species play critical roles in fungal spore inactivation.

  14. Selectivity of the optical-absorption method based on an instrumental pick out of Fourier components in the absorption spectrum

    NASA Astrophysics Data System (ADS)

    Pisarevsky, Yu. V.; Kolesnikov, S. A.; Kolesnikova, E. S.; Turutin, Yu. A.; Konopelko, L. A.; Shor, N. B.

    2016-06-01

    The introduction of interference-polarization filters (IPFs) in the structure of an optical-absorption analyzer makes it possible to pick out a harmonic (a Fourier component of the absorption spectrum) providing measurement with the highest sensitivity. The selectivity of such a method of analysis is determined by overlapping the oscillations of the measured and interfering components. By the example of measurement in benzene in the presence of an interfering component (toluene), the possibility is considered for the optimization of selectivity due to the variation of the path-difference dispersion for ordinary and extraordinary interfering rays. The metrological characteristics of the interference-polarization analyzer of C6H6 confirming the results of calculations are given.

  15. The root economics spectrum: divergence of absorptive root strategies with root diameter

    NASA Astrophysics Data System (ADS)

    Kong, D.; Wang, J.; Kardol, P.; Wu, H.; Zeng, H.; Deng, X.; Deng, Y.

    2015-08-01

    Plant roots usually vary along a dominant ecological axis, the root economics spectrum (RES), depicting a tradeoff between resource acquisition and conservation. For absorptive roots, which are mainly responsible for resource acquisition, we hypothesized that root strategies as predicted from the RES shift with increasing root diameter. To test this hypothesis, we used seven contrasting plant species for which we separated absorptive roots into two categories: thin roots (< 247 μm diameter) and thick roots. For each category, we analyzed a~range of root traits closely related to resource acquisition and conservation, including root tissue density, carbon (C) and nitrogen (N) fractions as well as root anatomical traits. The results showed that trait relationships for thin absorptive roots followed the expectations from the RES while no clear trait relationships were found in support of the RES for thick absorptive roots. Our results suggest divergence of absorptive root strategies in relation to root diameter, which runs against a single economics spectrum for absorptive roots.

  16. The photophysics of phenylenevinylene oligomers and self-absorption of their fluorescence in polymer films.

    PubMed

    Winch, Nicola M; Smith, Gerald J; Breukers, Robert D; Bhuiyan, Delower H; Kay, Andrew J; Smith, Trevor A; Ghiggino, Kenneth P; Raymond, Sebastiampillai G

    The fluorescence spectra, quantum yields and lifetimes of a series of alkoxy-substituted phenylenevinylene molecules, which serve as short chain oligomer models for poly(p-phenylenevinylene), have been determined in fluid solvents and in a high viscosity polymer matrix. The effects of solvent polarity and a high viscosity molecular environment on the fluorescence yields and spectral shapes have been established. Alkoxy group substitution on the phenyl ring moieties of the molecules has an important effect on the vibronic structures and profiles of the absorption spectra. This was interpreted in terms of hot-band, ground to excited singlet state transitions from energetically closely-spaced torsional vibrational levels of the vinylene double bond in the ground state. The shapes of the absorption bands affect the overlaps of the absorption and fluorescence spectra. This has been quantified as the probability of fluorescence reabsorption in solid polymer films as a function of pathlength. This is an important determinant of the efficacies of these compounds for "harvesting" solar energy in luminescent solar concentrator systems. The reabsorption probabilities of these compounds are lower for all pathlengths than those determined in the same polymer film for the fluorophores, perylene and perylene diimide, which have been considered for concentrating spatially diffuse sunlight. PMID:27480331

  17. [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. PMID:25095445

  18. In situ phytoplankton absorption, fluorescence emission, and particulate backscattering spectra determined from reflectance

    NASA Technical Reports Server (NTRS)

    Roesler, Collin S.; Pery, Mary Jane

    1995-01-01

    An inverse model was developed to extract the absortion and scattering (elastic and inelastic) properties of oceanic constituents from surface spectral reflectance measurements. In particular, phytoplankton spectral absorption coefficients, solar-stimulated chlorophyll a fluorescence spectra, and particle backscattering spectra were modeled. The model was tested on 35 reflectance spectra obtained from irradiance measurements in optically diverse ocean waters (0.07 to 25.35 mg/cu m range in surface chlorophyll a concentrations). The universality of the model was demonstrated by the accurate estimation of the spectral phytoplankton absorption coefficents over a range of 3 orders of magnitude (rho = 0.94 at 500 nm). Under most oceanic conditions (chlorophyll a less than 3 mg/cu m) the percent difference between measured and modeled phytoplankton absorption coefficents was less than 35%. Spectral variations in measured phytoplankton absorption spectra were well predicted by the inverse model. Modeled volume fluorescence was weakly correlated with measured chl a; fluorescence quantum yield varied from 0.008 to 0.09 as a function of environment and incident irradiance. Modeled particle backscattering coefficients were linearly related to total particle cross section over a twentyfold range in backscattering coefficents (rho = 0.996, n = 12).

  19. Tunable ultranarrow spectrum selective absorption in a graphene monolayer at terahertz frequency

    NASA Astrophysics Data System (ADS)

    Wu, Jun

    2016-06-01

    Complete absorption in a graphene monolayer at terahertz frequency through the critical coupling effect is investigated. It is achieved by sandwiching the graphene monolayer between a dielectric grating and a Bragg grating. The designed graphene absorber exhibits near-unity absorption at resonance but with an ultranarrow spectrum and antenna-like response, which is attributed to the combined effects of guided mode resonance with dielectric grating and the photonic band gap with Bragg grating. In addition to numerical simulation, the electric field distributions are also illustrated to provide a physical understanding of the perfect absorption effect. Furthermore, the absorption performance can be tuned by only changing the Fermi level of graphene, which is beneficial for real application. It is believed that this study may be useful for designing next-generation graphene-based optoelectronic devices.

  20. Resonance fluorescence spectrum of a Λ -type quantum emitter close to a metallic nanoparticle

    NASA Astrophysics Data System (ADS)

    Carreño, F.; Antón, M. A.; Yannopapas, V.; Paspalakis, E.

    2016-07-01

    We theoretically study the resonance fluorescence spectrum of a three-level quantum emitter coupled to a spherical metallic nanoparticle. We consider the case in which the quantum emitter is driven by a single laser field along one of the optical transitions. We show that the development of the spectrum depends on the relative orientation of the dipole moments of the optical transitions in relation to the metal nanoparticle. In addition, we demonstrate that the location and width of the peaks in the spectrum are strongly modified by the exciton-plasmon coupling and the laser detuning, allowing one to achieve a controlled strongly subnatural spectral line. A strong antibunching of the fluorescent photons along the undriven transition is also obtained. Our results may be used for creating a tunable source of photons which could be used for a probabilistic entanglement scheme in the field of quantum information processing.

  1. Absorption spectrum of NO in the {gamma}(O, O) band

    SciTech Connect

    Zobnin, A.V.; Korotkov, A.N.

    1995-05-01

    A promising technique for determining the concentration of nitrogen oxide in the air of an industrial zone and in process gases is the measurement of the absorption of UV radiation by this molecule in the {gamma}(O,O) band with the center of {lambda}{sub 0} = 226.5 nm. This band corresponds to the transition X{sup 2}{Pi}{yields}{Alpha}{sup 2}{Sigma} of the NO molecule and is characterized by a complex rotational structure consisting of about 400 lines. This structure cannot be resolved completely by most spectral instruments. However, if the width of the spread function of the device is perceptibly smaller than the width of the given absorption band ({approx_equal}2 nm), but larger than the characteristic space between rotational lines ({approx_equal}0.02 nm), then the recorded transmission spectra of NO are almost insensitive to a change in the form of this function. In the given case, to describe the transmission spectrum it is possible to use the absorption coefficient averaged over rotational lines. And even though the Bouger-Lambert-Beer law is not strictly applicable for this spectrum, the dependence of the transmission spectrum of NO on the optical thickness, temperature, and pressure of the broadening gas can be represented in the form of an empirical dependence that can be useful in practice, for example, when processing the absorption spectra recorded by dispersion gas analyzers. Thus, the need for complex and laborious calculations is avoided, and this simplifies considerably the instrumental implementation of this method of measuring the concentration of NO. The object of the present work is to determine the empirical dependence of the absorption spectrum of NO in the {gamma}(O, O) band on the optical thickness, temperature, and pressure of the broadening gas in the ranges most frequently encountered in operation of dispersion gas analyzers.

  2. Aerosol-fluorescence spectrum analyzer: real-time measurement of emission spectra of airborne biological particles

    NASA Astrophysics Data System (ADS)

    Hill, Steven C.; Pinnick, Ronald G.; Nachman, Paul; Chen, Gang; Chang, Richard K.; Mayo, Michael W.; Fernandez, Gilbert L.

    1995-10-01

    We have assembled an aerosol-fluorescence spectrum analyzer (AFS), which can measure the fluorescence spectra and elastic scattering of airborne particles as they flow through a laser beam. The aerosols traverse a scattering cell where they are illuminated with intense (50 kW/cm 2) light inside the cavity of an argon-ion laser operating at 488 nm. This AFS can obtain fluorescence spectra of individual dye-doped polystyrene microspheres as small as 0.5 mu m in diameter. The spectra obtained from microspheres doped with pink and green-yellow dyes are clearly different. We have also detected the fluorescence spectra of airborne particles (although not single particles) made from various

  3. Absorption lines in the spectrum of Q0248 + 4302 due to a foreground tidal tail

    SciTech Connect

    Sargent, W.L.W.; Steidel, C.C. California Univ., Berkeley )

    1990-08-01

    The strong absorption lines in the spectrum of the quasar Q0248 + 4302 are discussed. The absorption has been shown to be produced in a sinuous tidal tail which emanates from the nearby galaxy pair G0248 + 4302A,B. There is a velocity difference of about 260 km/s between the systemic redshift of the interacting galaxies and the redshift of the tidal tail at a galactocentric distance of about 11/h kpc. The large velocity spread observed in the tail gas is probably responsible for the unusual strength of the interstellar lines. 18 refs.

  4. Analysis of CDOM fluorescence spectrum characteristics in coastal water and its application

    NASA Astrophysics Data System (ADS)

    Xing, Xufeng; Lv, Xianqiang; Liu, Fang; Liu, Yuan; Zhan, Jie; Huang, Miaofen

    2014-05-01

    In accordance with the data which were experiment of mixing-ratio in water tank and collecting water samples in situ from natural seawater and urban sewage discharged into the sea along Dalian coast of the northern Yellow Sea in February and April 2012, with quinine sulfate and sodium humate as a reference, the calibration curve was established among CDOM (Chromophoric dissolved organic matter) concentration and fluorescence intensity and reference wave absorption coefficient. To calibration curve as the foundation, the CDOM samples concentration of various sources was determined after analyzing CDOM sample from Dalian coast of the northern Yellow Sea sewage into the sea and natural sea. Based on the comparative analysis on CDOM fluorescence fingerprint, the main component of water CDOM were determined. The results showed that in Dalian coastal waters of the northern Yellow Sea, the main component of CDOM in natural seawater is tryptophan and in urban sewage discharged into the sea are tryptophan, tyrosine, and humic acid. On the basis of comprehensive analysis of CDOM fluorescence and absorption spectral, the thinking of synergy inversion of CDOM absorption spectral slope S by connecting fluorescence and ocean color remote sensing is put forward.

  5. Spectral signatures of fluorescence and light absorption to identify crude oils found in the marine environment

    NASA Astrophysics Data System (ADS)

    Baszanowska, E.; Otremba, Z.

    2014-08-01

    To protect the natural marine ecosystem, it is necessary to continuously enhance knowledge of environmental contamination, including oil pollution. Therefore, to properly track the qualitative and quantitative changes in the natural components of seawater, a description of the essential spectral features describing petroleum products is necessary. This study characterises two optically-different types of crude oils (Petrobaltic and Romashkino) - substances belonging to multi-fluorophoric systems. To obtain the spectral features of crude oils, the excitation-emission spectroscopy technique was applied. The fluorescence and light absorption properties for various concentrations of oils at a stabilised temperature are described. Both excitation-emission spectra (EEMs) and absorption spectra of crude oils are discussed. Based on the EEM spectra, both excitation end emission peaks for the wavelengthindependent fluorescence maximum (Exmax/ Emmax) - characteristic points for each type of oil - were identified and compared with the literature data concerning typical marine chemical structures.

  6. Dicyanostilbene-derived two-photon fluorescence dyes with large two-photon absorption cross sections

    NASA Astrophysics Data System (ADS)

    Huang, Chibao; Lin, Changhua; Ren, Anxiang; Yang, Nianfa

    2011-12-01

    Four dicyanostilbene-derived two-photon fluorescence (TPF) dyes were synthesized as the model compounds to systematically study the effect of the dicyano and the terminal substituent on the two-photon absorption (TPA). These four compounds ( DSO, DCY, DTO and DPH) exhibit very large two-photon absorption cross sections ( δ). DCY (A- π-A) with the terminal cyano group has especially high fluorescence quantum yield (0.71) and relatively large δ (1480 GM), while DPH (D- π-A) with the substitutedamino group at its terminus possesses the largest δ (2800 GM) and the longest emission wavelength (620 nm). The idealest terminal substituent should not be the alkoxy group but the substitutedamino group. This class of dicyanostilbene dyes possess small molecule size, large δ (830-2800 GM), long-wavelength emission (459-620 nm) and large Stokes shift (80-206 nm), and are ideal chromophores for TPF labels and probes.

  7. Relationship of CDOM fluorescence and absorption on the South West Florida Shelf

    NASA Astrophysics Data System (ADS)

    Conmy, R. N.; Coble, P. G.; Hastings, R. H.

    2005-12-01

    The WFS is a complex subtropical coastal region affected by multiple river systems. In recent years, the southern portion of the shelf has been the focus of much study due to the initiation of persistent harmful algal blooms. During this time, great effort has been put forth in collecting seasonal measurements of CDOM (Colored Dissolved Organic Matter) inherent optical properties via in situ and discrete sampling techniques. This sizeable dataset now allows for establishing robust regional relationships of CDOM fluorescence and absorption. Discussed here will be factors affecting that relationship and how it covaries with chlorophyll and DOC (Dissolve Organic Carbon). This relationship also demonstrates the potential for using in situ CDOM fluorescence measurements from moored locations to provide reliable CDOM absorption values for current bio-optical models.

  8. 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.

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

    NASA Technical Reports Server (NTRS)

    Rodrigues, Liliya L.; Boehm-Vitense, Erika

    1992-01-01

    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.

  10. 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.

  11. 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. PMID:27062543

  12. 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.

  13. Fluorescence upconversion properties of a class of improved pyridinium dyes induced by two-photon absorption

    NASA Astrophysics Data System (ADS)

    Xu, Guibao; Hu, Dawei; Zhao, Xian; Shao, Zongshu; Liu, Huijun; Tian, Yupeng

    2007-06-01

    We report the fluorescence upconversion properties of a class of improved pyridinium toluene- p-sulfonates having donor- π-acceptor (D- π-A) structure under two-photon excitation at 1064 nm. The experimental results show that both the two-photon excited (TPE) fluorescence lifetime and the two-photon pumped (TPP) energy upconversion efficiency were increased with the enhancement of electron-donating capability of the donor in the molecule. It is also indicated that an overlong alkyl group tends to result in a weakened molecular conjugation, leading to a decreased two-photon absorption (TPA) cross section. By choosing the donor, we can obtain a longest fluorescence lifetime of 837 ps, a highest energy upconversion efficiency of ˜6.1%, and a maximum TPA cross-section of 8.74×10 -48 cm 4 s/photon in these dyes.

  14. [Laser fluorescence excited spectrum of NO via alpha2sigma<--chi2pi transition].

    PubMed

    Zhang, Lian-shui; Zhang, Gui-yin; Zhao, Xiao-hui; Yang, Xiao-dong; Li, Yi

    2004-06-01

    Two-photon fluorescence excited spectrum of NO induced by Nd: YAG laser pumped optical parameter generator/amplifier as excitation source was obtained in the range of 420-472 nm. With this technique, the structure of the energy levels of NO molecule in alpha2sigma electronic state was investigated. The peaks of the spectrum were attributed to alpha2sigma(v' = 0,1)<--chi2pi(v" = 0) transition. The near square dependence of fluorescence signal on the laser intensity indicates a two-photon process. The ground-vibrational-state oscillation frequency and the force constant of alpha2sigma state were calculated. The fluorescence lifetime of alpha2sigma(v' = 0) state under the pressure of 266 Pa was also obtained by measuring fluorescence decay curve of alpha2sigma(v' = 0) states. It is about 53.76 ns. Fitting the curve of the fluorescence radiant lifetime versus pressure, the spontaneous radiant lifetimes and the rate coefficient of nonradiative transition relaxation of alpha2sigma(v' = 0,1) states were deduced. PMID:15766171

  15. Light-induced changes in the absorption spectrum of bacteriorhodopsin under two-wavelength excitation

    NASA Astrophysics Data System (ADS)

    Koklyushkin, A. V.; Korolev, A. E.

    2004-09-01

    The results of spectrophotometric measurements of nonlinear light-induced changes in the absorption spectrum of bacteriorhodopsin D96N occurring upon simultaneous excitation at the wavelengths 633 and 441 nm in the excitation intensity range typical for recording of dynamic holograms are presented. The quantitative conditions under which the action of the radiation at one wavelength reduces the change in the optical density caused by the radiation at the other wavelength are determined.

  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. 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.

  19. A multielement Ge detector with complete spectrum readout for x-ray fluorescence microprobe and microspectroscopy (abstract)

    NASA Astrophysics Data System (ADS)

    Rivers, Mark L.; Sutton, Stephen R.; Rarback, Harvey

    1995-02-01

    Multielement Ge and Si(Li) detectors have been used in recent years to improve the increase count rate capability and to improve the solid-angle efficiency in fluorescence x-ray absorption spectroscopy (XAS). Such systems have typically been equipped with one or more single-channel analyzers (SCAs) for each detector element. Such SCA-based electronics are sufficient when only the counts in one or two well-resolved peaks are of interest. For the fluorescence (XRF) microprobe at beamline X-26A at the NSLS, SCA-based electronics were not a satisfactory solution for two reasons: (1) for XRF experiments, the entire fluorescence spectrum is required; (2) for micro-XAS studies of trace elements in complex systems, the fluorescence peak often sits on a significant background or partially overlaps another fluorescence peak, requiring software background subtraction or peak deconvolution. An electronics system which permits collection of the entire fluorescence spectrum from each detector element has been designed. The system is made cost-effective by the use of analog multiplexors, reducing the number of analog-to-digital converters (ADCs) and multichannel analyzers (MCAs) required. The system was manufactured by Canberra Industries and consists of: (1) a 13 element Ge detector (11 mm diameter detector elements), (2) 13 NIM spectroscopy amplifiers with programmable gains, (3) four analog multiplexors with maximum of eight inputs each, (4) four ADCs with programmable offsets and gains and 800 ns conversion time, and (5) two MCAs with Ethernet communications ports and two ADC inputs each. The amplifiers have shaping times which are adjustable from 0.5 to 12 μs. The analog multiplexors were modified to perform pileup rejection. The analog multiplexing does not significantly reduce the count rate capability of the system, even at the shortest amplifier shaping times. The average detector resolution is 170 eV at 12 μs shaping time and 200 eV at 4 μs shaping time. The maximum

  20. Fluorescence and UV/VIS absorption spectroscopy studies on polymer blend films for photovoltaics

    NASA Astrophysics Data System (ADS)

    van Stam, Jan; Lindqvist, Camilla; Hansson, Rickard; Ericsson, Leif; Moons, Ellen

    2015-08-01

    The quinoxaline-based polymer TQ1 (poly[2,3-bis-(3-octyloxyphenyl)quinoxaline-5,8-diyl-alt-thiophene-2,5- diyl]) is a promising candidate as electron donor in organic solar cells. In combination with the electron acceptor [6,6]- phenyl-C71- butyric acid methyl ester (PC70BM), TQ1 has resulted in solar cells with power conversion efficiencies of 7 %. We have studied TQ1 films, with and without PC70BM, spin-casted from different solvents, by fluorescence spectroscopy and UV/VIS absorption spectroscopy. We used chloroform (CF), chlorobenzene (CB), and odichlorobenzene (o-DCB) as solvents for the coating solutions and 1-chloronaphthalene (CN) as solvent additive. CN addition has been shown to enhance photo-conversion efficiency of these solar cells. Phase-separation causes lateral domain formation in the films and the domain size depends on the solvent . These morphological differences coincide with changes in the spectroscopic patterns of the films. From a spectroscopic point of view, TQ1 acts as fluorescent probe and PC70BM as quencher. The degree of fluorescence quenching is coupled to the morphology through the distance between TQ1 and PC70BM. Furthermore, if using a bad solvent for PC70BM, morphological regions rich in the fullerene yield emission characteristic for aggregated PC70BM. Clear differences were found, comparing the TQ1:PC70BM blend films casted from different solvents and at different ratios between the donor and acceptor. The morphology also influences the UV/VIS absorption spectra, yielding further information on the composition. The results show that fluorescence and UV/VIS absorption spectroscopy can be used to detect aggregation in blended films and that these methods extend the morphological information beyond the scale accessible with microscopy.

  1. Absorption spectra and spectral-kinetic characteristics of the fluorescence of Sanguinarine in complexes with polyelectrolytes and DNA

    NASA Astrophysics Data System (ADS)

    Motevich, I. G.; Strekal, N. D.; Nowicky, J. W.; Maskevich, S. A.

    2010-07-01

    The absorption spectra and stationary and time resolved fluorescence spectra of the isoquinoline alkaloid sanguinarine are studied in aqueous media and during interactions with synthetic polyelectrolytes (polystyrene sulfonate and polyallylamine) and a natural polyelectrolyte (DNA).

  2. Pressure-induced shifts of the fluorescence spectrum of rhodamine 6G in solution

    SciTech Connect

    Zhang, B.; Chandrasekhar, M.; Chandrasekhar, H.R.

    1985-09-01

    The effect of hydrostatic pressure on the fluorescence spectrum of rhodamine 6G dye in two different solutions is studied. The peak shifts to longer wavelengths with increasing pressure with a pressure coefficient of -29 and -19 cm/sup -1//kbar for ethanol and 4:1 methanol-ethanol solvents, respectively. Possible applications of increasing the tunability of dye lasers by pressure are discussed.

  3. Electronic structure and absorption spectrum of biexciton obtained by using exciton basis

    SciTech Connect

    Shiau, Shiue-Yuan; Combescot, Monique; Chang, Yia-Chung

    2013-09-15

    We approach the biexciton Schrödinger equation not through the free-carrier basis as usually done, but through the free-exciton basis, exciton–exciton interactions being treated according to the recently developed composite boson many-body formalism which allows an exact handling of carrier exchange between excitons, as induced by the Pauli exclusion principle. We numerically solve the resulting biexciton Schrödinger equation with the exciton levels restricted to the ground state and we derive the biexciton ground state as well as the bound and unbound excited states as a function of hole-to-electron mass ratio. The biexciton ground-state energy we find, agrees reasonably well with variational results. Next, we use the obtained biexciton wave functions to calculate optical absorption in the presence of a dilute exciton gas in quantum well. We find an asymmetric peak with a characteristic low-energy tail, identified with the biexciton ground state, and a set of Lorentzian-like peaks associated with biexciton unbound states, i.e., exciton–exciton scattering states. Last, we propose a pump–probe experiment to probe the momentum distribution of the exciton condensate. -- Highlights: •New composite boson many-body theory is used to derive exactly the biexciton Schrödinger equation using the exciton basis. •We solved the 2D and 3D biexciton ground- and excited-state binding energies for various electron-to-hole mass ratios. •The absorption spectrum shows an asymmetric low-energy peak identified with the biexciton ground state. •High-energy Lorentzian-like peaks in the absorption spectrum are associated with the exciton–exciton scattering states. •The exciton gas momentum distribution can be determined by the absorption spectrum via the biexciton wave functions.

  4. Synthesis, crystal structure and fluorescence spectrum of a cadmium(II) sulfaquinoxaline complex.

    PubMed

    Zhao, Xiu-Hua; Zhao, Ya-Yun; Zhang, Jie; Pan, Jian-Guo; Li, Xing

    2013-11-01

    catena-Poly[[[4-amino-N-(quinoxalin-2-yl)benzenesulfonamidato]aquacadmium(II)]-μ-4-amino-N-(quinoxalin-2-yl)benzenesulfonamidato], [Cd(C14H11N4O2S)2(H2O)], has been synthesized hydrothermally and characterized by single-crystal X-ray diffraction, elemental analysis, fluorescence, IR and thermal analysis. Single-crystal X-ray analysis reveals that the complex is a one-dimensional zigzag chain structure, and the Cd(II) cation has a distorted octahedral coordination geometry formed by five N atoms from three different sulfaquinoxaline ligands and one O atom from a water molecule. The fluorescence spectrum reveals that the complex emits strong blue fluorescence and thermal analysis shows that the complex has high thermal stability. PMID:24192183

  5. Problems affecting performance of the fluorescent treponemal antibody-absorption test for syphilis.

    PubMed Central

    Hunter, E F; Adams, M R; Orrison, L H; Pender, B J; Larsen, S A

    1979-01-01

    Immunofluorescent staining of Treponema pallidum was studied to clarify the effect of three factors on the results of the fluorescent treponemal antibody-absorption test: (i) heat inactivation of sera at 56 degrees C for 30 min before testing, (ii) use of multicircle slides, and (iii) tungsten illumination to visualize and assess unstained treponemes on reactive as well as nonreactive smears. It was found that serum inactivation before testing was not necessary for detection of immunoglobin G antibody, but an immunoglobulin M prozone was detected in unheated serum. On multicircle slides, it was demonstrated that a false-positive reaction could be obtained in 30 s at 37 and 25 degrees C if a smear where a nonreactive serum had been placed was crossed by a strongly reactive serum from another circle. Tungsten illumination proved necessary for correct assessment of unstained treponemes on all fluorescent treponemal antibody-aborption test smears, reactive or nonreactive. The possible role of these factors in incorrect fluorescent treponemal antibody-absorption test results is discussed. PMID:372219

  6. Hydrogen sulfide absorption spectrum in the 5700-6600 cm-1 spectral region

    NASA Astrophysics Data System (ADS)

    Brown, L. R.; Naumenko, O. V.; Polovtseva, E. R.; Sinitsa, Leonid N.

    2004-01-01

    High resolution FT absorption spectrum of H2S from 5700 to 6600 cm-1 was experimentally recorded and theoretically treated. As a result of the spectrum assignment 1100 precise energy levels were derived for the 2nd hexad interacting states of H232S, H233S, and H234S isotope species including the highly excited (050) state. These energy levels were modeled using Watson-type rotational Hamiltonian and taking into account Coriolis, Darling-Dennison and weak Fermi-resonance interactions inside polyad of interacting states. An average accuracy of the energy levels fitting is of 0.0019 cm-1 for the main isotope species. New evaluation of the band origin of the dark (012) state Ev = 6385.299cm-1 is obtained from the fitting process which agrees well with recent prediction by Naumenko et al. (J. Mol. Spectrosc. 50, 100-110 (2001)). Precise line intensity measurements were performed for more than 1200 absorption lines with accuracy varying from 1 to 7%. These intensities were modeled within 3.3% using wavefunctions derived in the process of the energy levels fitting. The transformed transition moment expansion with 29 terms for 1088 intensities was used. Detailed and accurate H2S absorption line list was generated in the HITRAN format for the analyzed spectral region.

  7. 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.

  8. 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. PMID:25149781

  9. [Rapid determination of ractopamine content in pork by using three-dimensional synchronous fluorescence spectrum coupled with APTLD].

    PubMed

    Zhao, Jin-Hui; Yuan, Hai-Chao; Liu, Mu-Hua; Xiao, Hai-Bin; Hong, Qian

    2014-04-01

    In order to realize the rapid determination of ractopamine content in pork, quantitative determination model of ractopamine content in pork was established by using three-dimensional synchronous fluorescence spectrum coupled with alternating penalty trilinear decomposition (APTLD). Firstly, the generation mechanism of the fluorescence spectrum for ractopamine and three-dimensional synchronous fluorescence spectrum for samples were analyzed. Secondly, concentration quenching phenomenon of fluorescence of ractopamine in pork extract was investigated. Thirdly, the number of components for three linear decomposition of APTLD was set as 2 by using the core consistency diagnostic method, and the calibration curve of the relative fluorescence intensity of ractopamine between pork extract and the training sample was established for the correction of relative fluorescence intensity of prediction samples. Finally, three-dimensional synchronous fluorescence spectrum combined with APTLD was used to build the prediction model of ractopamine content in pork. The experimental results showed that the method adopted in the paper could better solve the problem of serious synchronous fluorescence spectrum overlapping between ractopamine in pork samples and backgrounds, and leave out some trivial process of chemical separation for the identification of ractopamine in pork. The determination coefficient (R2) and the root mean squared error of prediction (RMSEP) for the model proposed in this paper were 0.986 3 and 0.496 6 mg x L(-1), respectively. The method in this paper has achieved the goal of rapid quantitative detection of ractopamine content in pork. PMID:25007620

  10. 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.

  11. 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. PMID:27475359

  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. [Application of near-infrared absorption spectrum scanning techniques in gas quantitative measurement].

    PubMed

    Ding, Hui; Liang, Jian-Qi; Cui, Jun-Hong; Wu, Xiang-Nan; Li, Xian-Li

    2010-03-01

    A practical gas sensing system utilizing absorption spectrum scanning techniques was developed. Using the narrow-band transmission of a fiber tunable filter (TOF) and wavelength modulation technique, the so-called cross-sensing effects of the traditional spectrum absorption based gas sensor were reduced effectively and thus the target gas was detected sensitively and selectively. In order to reduce the effects of nonlinearity of TOF on the measurement results and improve the system stability in operation, the reflection spectrum of a reference FBG was monitored and employed to control the modulation region and center of TOF wavelength precisely. Moreover, a kind of weak signal detecting circuits was developed to detect the weak response signal of the system with high sensitivity. The properties of the proposed system were demonstrated experimentally by detection of acetylene. Approximate linear relationships between the system responses and the input acetylene concentrations were demonstrated by experiments. The minimum detectable acetylene of 5 x 10(-6), with signal-noise ratio of 3, was also achieved by experiments. PMID:20496683

  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. [Aggregation Behavior of Collagen-Based Surfactant Molecules in Aqueous Solutions Based on Synchronization Fluorescence Spectrum Technology].

    PubMed

    Li, Cong-hu; Tian, Zhen-hua; Liu, Wen-tao; Li, Guo-ying

    2016-01-01

    Due to the intrinsic fluorescence characteristic of tyrosine (Tyr) and phenylalanine (Phe), synchronization fluorescence spectrum technology which adopted the constant wavelength difference (Δλ = 15 nm) was selected to investigate the effects of collagen-based surfactant (CBS) concentration, pH, NaCt concentration and temperature on the aggregation state of CBS molecules in aqueous solutions. Meanwhile, temperature-dependent two-dimensional (2D) synchronization fluorescence correlation analyses was used to investigate the variation order of Tyr and Phe residues in CBS molecules with the change of temperature. The results showed that the characteristic absorption peaks located at 261 and 282 nm were attributed to Phe and Tyr, respectively. With the increase of CBS concentration, the amount of Phe and Tyr residues increased gradually which resulted in the increase of aggregate degree of CBS molecules and then led to the increase of fluorescence intensity. When the pH value (pH 5.0) of CBS solutions was close to the isoelectric point of CBS, the aggregate degree of CBS molecules increased due to the increase of the hydrophobic interaction and the formation ability of hydrogen bond. Additionally, with the increase of NaCl concentration, the repulsion force for inter/intra-molecules of CBS decreased, which helped to improve the aggregation behavior of CBS molecules. However, with the increase of temperature, the aggregation state of CBS was changed to be monomolecular state, and then resulted in the decrease of the fluorescence intensity gradually due to the quenching, the denaturation and the decrease of hydrogen bond formation ability. Furthermore, temperature-dependent 2D synchronization fluorescence correlation spectroscopy demonstrated that at lower temperature (10-40 degrees C), the aggregate state of CBS changed to be loose state and then Phe residues located in the inside of the aggregate varied before Tyr residues; while in the heating process of 45

  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. The Far-Infrared Absorption Spectrum of Low Temperature Hydrogen Gas.

    NASA Astrophysics Data System (ADS)

    Wishnow, Edward Hyman

    The far-infrared absorption spectrum of normal hydrogen gas has been measured from 20-320 cm^ {-1} (lambda = 500-31 mu M), over the temperature range 21-38 K, and the pressure range 0.6-3 atmospheres. The spectra cover the very weak and broad collision-induced translational absorption band of H_2 which at these low temperatures is observed well isolated from the H_2 rotational lines. Translational absorption occurs when two molecules collide and absorb a photon via a transient induced dipole moment. The molecules emerge from the collision with altered translational energies, and the rotational, vibrational, and electronic energy states remain unaffected. The present spectra are the lowest temperature, lowest pressure, and highest resolution studies of the H_2 translational spectrum. In order to observe the weak translational absorption band, a long pathlength multireflection absorption cell ('White cell'), cooled by the continuous flow of helium vapour, has been designed and constructed. The cell has an f/10 optical beam that allows long wavelength radiation to be transmitted, with low diffraction losses, over an optical path of up to 60 m. The cell is coupled to a Fourier transform interferometer and H_2^ectra are obtained at a spectral resolution of 0.24 cm ^{-1}, 10 times higher than previous experiments. Low temperature absorption spectra are due to not only transitions between molecular translational energy states, but also rotational transitions between the bound states of the van der Waals complex formed by two hydrogen molecules. The integrated absorption of the measured H _2 translational spectrum is consistent with the binary absorption coefficient calculated using the Poll and Van Kranendonk theory of collison-induced absorption. The calculation is based on the quantum mechanical pair distribution function derived from the Lennard-Jones intermolecular potential, and it includes contributions from H_2 dimer bound states. Although dimer transitions

  19. Do fluorescence and transient absorption probe the same intramolecular charge transfer state of 4-(dimethylamino)benzonitrile?

    SciTech Connect

    Gustavsson, Thomas; Fujiwara, Takashige; Lim, Edward C.

    2009-07-21

    We present here the results of time-resolved absorption and emission experiments for 4-(dimethylamino)benzonitrile in solution, which suggest that the fluorescent intramolecular charge transfer (ICT) state may differ from the twisted ICT (TICT) state observed in transient absorption.

  20. Serial Femtosecond Crystallography and Ultrafast Absorption Spectroscopy of the Photoswitchable Fluorescent Protein IrisFP.

    PubMed

    Colletier, Jacques-Philippe; Sliwa, Michel; Gallat, François-Xavier; Sugahara, Michihiro; Guillon, Virginia; Schirò, Giorgio; Coquelle, Nicolas; Woodhouse, Joyce; Roux, Laure; Gotthard, Guillaume; Royant, Antoine; Uriarte, Lucas Martinez; Ruckebusch, Cyril; Joti, Yasumasa; Byrdin, Martin; Mizohata, Eiichi; Nango, Eriko; Tanaka, Tomoyuki; Tono, Kensuke; Yabashi, Makina; Adam, Virgile; Cammarata, Marco; Schlichting, Ilme; Bourgeois, Dominique; Weik, Martin

    2016-03-01

    Reversibly photoswitchable fluorescent proteins find growing applications in cell biology, yet mechanistic details, in particular on the ultrafast photochemical time scale, remain unknown. We employed time-resolved pump-probe absorption spectroscopy on the reversibly photoswitchable fluorescent protein IrisFP in solution to study photoswitching from the nonfluorescent (off) to the fluorescent (on) state. Evidence is provided for the existence of several intermediate states on the pico- and microsecond time scales that are attributed to chromophore isomerization and proton transfer, respectively. Kinetic modeling favors a sequential mechanism with the existence of two excited state intermediates with lifetimes of 2 and 15 ps, the second of which controls the photoswitching quantum yield. In order to support that IrisFP is suited for time-resolved experiments aiming at a structural characterization of these ps intermediates, we used serial femtosecond crystallography at an X-ray free electron laser and solved the structure of IrisFP in its on state. Sample consumption was minimized by embedding crystals in mineral grease, in which they remain photoswitchable. Our spectroscopic and structural results pave the way for time-resolved serial femtosecond crystallography aiming at characterizing the structure of ultrafast intermediates in reversibly photoswitchable fluorescent proteins. PMID:26866390

  1. Modeling of the H2 Fluorescence spectrum in Eta Car's ejecta

    NASA Astrophysics Data System (ADS)

    Nielsen, Krister

    2010-09-01

    Molecular hydrogen is the most abundant species in the interstellar medium and is observed in emission and absorption towards a wide range of astronomical objects. The presence of H2 is fundamental for the formation of complex molecules and dust. The H2 Lyman bands long-ward of 1200 A are usually not detected in a cold gaseous environment but, surprisingly, appears strongly in the spectrum of Eta Car's cold Homunculus. More than 800 H2 transitions have been identified in the mid-UV. The H2 absorption spectrum changes with Eta Car's 5.54 year spectroscopic period. These changes in H2 absorption strengths can provide information regarding the radiative flux variability caused by the companion star. We propose to use HST/STIS data recorded with the E140M grating between 1990.0 to 2004.3 to model the H2 spectrum and derive H2 column densities in the Eta Car Homunculus and how the column densities vary with phase. This will provide necessary input for accurate modeling of the Homunculus, which is an important step in the analysis of this unusual ejecta, and can be used for future studies of other massive stars.

  2. [Detection technology of methane gas concentration based on infrared absorption spectrum].

    PubMed

    Luo, Da-Feng; Yang, Jian-Hua; Zhong, Chong-Gui

    2011-02-01

    According to the disadvantages of current methane sensor in coal mine, the infrared methane concentration detection system based on the principle of infrared spectrum absorption was designed using differential absorption technology. In the system single light beam absorbing cell and single light beam and double wavelengths technology are adopted. Differential amplifier circuit serves as the core of faint signal processing circuit that detects the output signal of methane concentration, and linear formula fits the curve of methane concentration and output voltage, which realizes accurate and full range detection of gas concentration. Experiment shows that measurement error is less than 2%, and the system has very high measurement precision and possesses the basis of industrial applications. PMID:21510386

  3. Theoretical Study of the Absorption Spectrum and the Thermochemistry of the CF3OSO3 Radical

    NASA Astrophysics Data System (ADS)

    Cobos, Carlos J.; Croce, Adela E.

    2010-09-01

    The UV-visible absorption spectrum of the recently reported CF3OSO3 radical has been studied by using the time-dependent generalization of the density functional theory (TDDFT). For this a set of eleven hybrid functionals combined with the 6-311+G(3df) basis set were employed. The main features of the three experimental absorption bands of CF3OSO3 recorded over the 220 - 530 nm range are well reproduced by the calculations. A dissociation enthalpy for the CF3O-SO3 bond of 19.1 kcal mol-1 is predicted at the BAC-G3MP2//B3LYP/6-311+G(3df) level of theory

  4. Mg I absorption features in the solar spectrum near 9 and 12 microns

    NASA Technical Reports Server (NTRS)

    Glenar, David A.; Reuter, Dennis C.; Deming, Drake; Chang, Edward S.

    1988-01-01

    High-resolution FTS observations from the Kitt Peak National Solar Observatory and the Spacelab 3 ATMOS experiment have revealed additional infrared transitions due to Mg I in the spectra of both quiet sun and sunspot penumbra. In contrast to previous observations, these transitions are seen in absorption, not emission. Absorption intensities range from 1 to 7 percent of the continuum in the quiet sun. In the penumbra, the same features appear to show Zeeman splitting. Modeling of the line profiles in the photospheric spectrum shows evidence for a factor of three overabundance in the n = 5 or more levels of Mg I in the upper photosphere, but with no deviations from a Planck source function. It is concluded that whatever the process that produces the emission (including the Lemke and Holweger mechanism), it must occur well above the tau(5000) = 0.01 level.

  5. 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.

  6. 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.

  7. 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.

  8. Thermochromic Absorption, Fluorescence Band Shifts and Dipole Moments of BADAN and ACRYLODAN

    NASA Astrophysics Data System (ADS)

    Kawski, A.; Kukliński, B.; Bojarski, P.

    2002-08-01

    Using the thermochromic shift method of absorption and fluorescence bands, the electric dipole moments in the ground (μg) and excited (μe) state are simultaneously determined for BADAN (6-bromoacetyl-2-dimethylamino-naphtalene) and ACRYLODAN (6-acrylolyl-2-dimethylamino-naphtalene) in ethyl acetate. For these compounds the same ratio μe/μg = 2.9 was found, which is similar to that of PRODAN (6-propionyl-2-dimethylamino-naphtalene). The estimated empirical Onsager radii afor BADAN and ACRYLODAN are the same, and they are somewhat smaller than the calculated geometrical values.

  9. Picosecond kinetic absorption and fluorescence studies of bovine rhodopsin with a fixed 11-ene.

    PubMed Central

    Buchert, J; Stefancic, V; Doukas, A G; Alfano, R R; Callender, R H; Pande, J; Akita, H; Balogh-Nair, V; Nakanishi, K

    1983-01-01

    A synthetic retinal having a fixed 11-cis geometry has been used to prepare a nonbleachable analogue of bovine rhodopsin. Marked differences in the picosecond absorption and fluorescence behavior of this analogue at room temperature, compared with that of natural rhodopsin, were observed. This not only indicates that the 11-cis to trans isomerization of the retinal moiety is the crucial primary event in the photolysis of rhodopsin, but also it establishes that this isomerization must occur on the picosecond time scale or faster. PMID:6626668

  10. Surface extended x-ray absorption fine structure of low-Z absorbates using fluorescence detection

    SciTech Connect

    Stoehr, J.; Kollin, E.B.; Fischer, D.A.; Hastings, J.B.; Zaera, F.; Sette, F.

    1985-05-01

    Comparison of x-ray fluorescence yield (FY) and electron yield surface extended x-ray absorption fine structure spectra above the S K-edge for c(2 x 2) S on Ni(100) reveals an order of magnitude higher sensitivity of the FY technique. Using FY detection, thiophene (C/sub 4/H/sub 4/S) chemisorption on Ni(100) is studied with S coverages down to 0.08 monolayer. The molecule dissociates at temperatures as low as 100K by interaction with fourfold hollow Ni sites. Blocking of these sites by oxygen leaves the molecule intact.

  11. Transient absorption spectroscopy detection of sensitized delayed fluorescence in chiral benzophenone/naphthalene systems

    NASA Astrophysics Data System (ADS)

    Bonancía, Paula; Jiménez, M. Consuelo; Miranda, Miguel A.

    2011-10-01

    Transient absorption spectroscopy has proven to be a powerful tool to investigate the formation and decay of excited singlet states upon triplet-triplet annihilation, following T-T energy transfer from a selectively excited sensitizer. Thus, upon selective excitation of benzophenone (BZP) by laser flash photolysis (LFP) at λ = 355 nm in the presence of naphthalene (NPT), a negative band centered at 340 nm has been detected, with growth and decay in the microsecond timescale. It has been assigned to the P-type NPT delayed-fluorescence. In the case of chiral BZP/NPT systems, stereodifferentiation has been observed in the kinetics of the involved photophysical processes.

  12. Investigating ligand-receptor interactions at bilayer surface using electronic absorption spectroscopy and Fluorescence Resonance Energy Transfer

    PubMed Central

    Dogra, Navneet; Li, Xuelian; Kohli, Punit

    2012-01-01

    We investigate interactions between receptors and ligands at bilayer surface of polydiacetylene (PDA) liposomal nanoparticles using changes in electronic absorption spectroscopy and Fluorescence Resonance Energy Transfer (FRET). We study the effect of mode of linkage (covalent versus non-covalent) between the receptor and liposome bilayer. We also examine the effect of size dependent interactions between liposome and analyte through electronic absorption and FRET responses. Glucose (receptor) molecules were either covalently or non-covalently attached at the bilayer of nanoparticles, and they provided selectivity for molecular interactions between glucose and glycoprotein ligands of E. coli. The receptor-ligand interactions between glucose and ligand on E. Coli surface induced stress on conjugated PDA chain which resulted in changes (blue to red) in the absorption spectrum of PDA. The changes in electronic absorbance also led to changes in FRET efficiency between conjugated PDA chains (acceptor) and fluorophores (Sulphorhodamine-101) (donor) attached to the bilayer surface. Interestingly, we did not find significant differences in UV-Vis and FRET responses for covalently- and non-covalently-bound glucose to liposomes following their interactions with E. Coli. We attributed these results to close proximity of glucose receptor molecules to the liposome bilayer surface such that induced stress were similar in both the cases. We also found that PDA emission from direct excitation mechanism was ~ 2 - 10 times larger than that of FRET based response. These differences in emission signals were attributed to three major reasons: non-specific interactions between E. Coli and liposomes; size differences between analyte and liposomes; and a much higher PDA concentration with respect to sulpho-rhodamine (SR-101). We have proposed a model to explain our experimental observations. Our fundamental studies reported here will help in enhancing our knowledge regarding interactions

  13. Discovery of a second narrow absorption feature in the near-infrared spectrum of Io

    NASA Technical Reports Server (NTRS)

    Lester, D. F.; Trafton, L. M.; Ramseyer, T. F.; Gaffney, N. I.

    1992-01-01

    A high resolution survey of the near-IR reflectance spectrum of Io has shown a sharp absorption feature centered at 5045 +/- 1/cm; this feature is not present in laboratory spectra of dilute CO2 in a matrix. Since the spectrum of cold H2S ice crystals exhibits structure near this wavelength, it is suggested that either (1) the difference in width between this feature and that of the much broader Ionian H2S ice may be due to the presence of different phases of ice at different temperatures, so that these are emphasized in the different spectral regions, or (2) H2S is trapped in an SO2 matrix.

  14. The absorption spectrum of NH 2 in the region 5300 to 6800 Å

    NASA Astrophysics Data System (ADS)

    Ross, S. C.; Birss, F. W.; Vervloet, M.; Ramsay, D. A.

    1988-06-01

    The detailed analysis of the Ã2A 1- X˜2B 1 spectrum of NH 2 in the region 5300 to 6800 Å is reported. Term values derived from the analysis are also presented. Numerous new vibronic substates have been identified. The assignment of the substates and the perturbations detected are discussed in detail, making reference to the calculations of Jungen, Hallin, and Merer and also drawing on the argon matrix absorption spectrum of Robinson and McCarty. The parameters of a simplified model Hamiltonian are reported for most of the substates. The comparison of these results to the calculations of Jungen, Hallin, and Merer, along with the tendencies in the behavior of the spin-orbit coupling constant detected in their work, facilitated the assignments in the present work.

  15. 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

    2015-09-01

    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. PMID:26382674

  16. Absorption spectrum of the laser-populated 3D metastable levels in barium

    NASA Technical Reports Server (NTRS)

    Carlsten, J. L.; Mcilrath, T. J.; Parkinson, W. H.

    1975-01-01

    This paper deals with the details of the absorption spectrum of the 3D metastable term in barium. The 3D term was selectively populated with a tuneable dye laser. The fundamental triplet series (6s5d 3D-6snf 3F) is identified and extended out to n = 32. In addition, the absolute photoionization cross section was measured at 303 nm. The relative cross section from 303 to 250 nm was also measured with the absolute scale set by the measurement at 303 nm and was found to be nearly constant in the wavelength region measured.

  17. Effect of gold nanoparticles on the fluorescence excitation spectrum of α-fetoprotein: Local environment dependent fluorescence quenching

    NASA Astrophysics Data System (ADS)

    Li, Jian-jun; Chen, Yu; Wang, A.-qing; Zhu, Jian; Zhao, Jun-wu

    2011-01-01

    The effect of colloid gold nanoparticles (AuNPs) on the fluorescence excitation spectrum of α-fetoprotein (AFP) has been investigated experimentally. The excitation spectral peaks of AFP with low concentration from 0.01 ng ml -1 to 12 ng ml -1 increase monotonically with increasing of AFP concentration. When some gold colloids were added to the AFP solution, the excitation peak at 285 nm decreases distinctly. By comparing the excitation peak intensity of AFP solution with gold colloids and without gold colloids at different AFP concentrations, the quenching effect from gold nanoparticle was more effective at lower AFP concentration. So the range of concentration from 0.01 ng ml -1 to 0.09 ng ml -1 will be the potential range of applications because of the higher sensitivity. The physical origin based on local field effect was investigated to illuminate this local environment dependent fluorescence quenching. The changing extent of quenching with different AFP concentrations can be attributed to the nonlinear decreasing of the local field factor of gold nanoparticles as a function of environmental dielectric constant.

  18. Investigation of two-photon absorption properties in new A-D-A compounds emitting blue and yellow fluorescence

    NASA Astrophysics Data System (ADS)

    Jin, Fan; Cai, Zhi-Bin; Huang, Jiu-Qiang; Li, Sheng-Li; Tian, Yu-Peng

    2015-08-01

    Three new acceptor-donor-acceptor compounds (LBQ, DBQ, BYQ) were synthesized and characterized by infrared, hydrogen nuclear magnetic resonance, mass spectrometry and elemental analysis. Their photophysical properties were investigated including linear absorption, single-photon excited fluorescence, fluorescence quantum yield and two-photon absorption. These compounds in CH2Cl2 exhibit good fluorescence quantum yield which are 0.36, 0.26, and 0.25 and the largest two-photon absorption cross-section which are 48, 36, and 181 GM respectively. Under the excitation of Ti: sapphire laser with a pulse width of 140 fs, LBQ and DBQ emit blue two-photon excited fluorescence (TPEF), while BYQ emits bright yellow TPEF. BYQ has a good solubility in water and the σ can be as large as 130 GM, so it shows promising applications in many pharmaceutical and biological fields.

  19. [Cucumber downy mildew prediction model based on analysis of chlorophyll fluorescence spectrum].

    PubMed

    Sui, Yuan-Yuan; Yu, Hai-Ye; Zhang, Lei; Qu, Jian-Wei; Wu, Hai-Wei; Luo, Han

    2011-11-01

    In order to achieve quick and nondestructive prediction of cucumber disease, a prediction model of greenhouse cucumber downy mildew has been established and it is based on analysis technology of laser-induced chlorophyll fluorescence spectrum. By assaying the spectrum curve of healthy leaves, leaves inoculated with bacteria for three days and six days and after feature information extraction of those three groups of spectrum data using first-order derivative spectrum preprocessing with principal components and data reduction, principal components score scatter diagram has been built, and according to accumulation contribution rate, ten principal components have been selected to replace derivative spectrum curve, and then classification and prediction has been done by support vector machine. According to the training of 105 samples from the three groups, classification and prediction of 44 samples and comparing the classification capacities of four kernel function support vector machines, the consequence is that RBF has high quality in classification and identification and the accuracy rate in classification and prediction of cucumber downy mildew reaches 97.73%. PMID:22242501

  20. 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.

  1. 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

  2. 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.

  3. 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. PMID:24529777

  4. 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.

  5. Single excitation-emission fluorescence spectrum (EEF) for determination of cetane improver in diesel fuel

    NASA Astrophysics Data System (ADS)

    Insausti, Matías; Fernández Band, Beatriz S.

    2015-04-01

    A highly sensitive spectrofluorimetric method has been developed for the determination of 2-ethylhexyl nitrate in diesel fuel. Usually, this compound is used as an additive in order to improve cetane number. The analytical method consists in building the chemometric model as a first step. Then, it is possible to quantify the analyte with only recording a single excitation-emission fluorescence spectrum (EEF), whose data are introduced in the chemometric model above mentioned. Another important characteristic of this method is that the fuel sample was used without any pre-treatment for EEF. This work provides an interest improvement to fluorescence techniques using the rapid and easily applicable EEF approach to analyze such complex matrices. Exploding EEF was the key to a successful determination, obtaining a detection limit of 0.00434% (v/v) and a limit of quantification of 0.01446% (v/v).

  6. Tunneling induced dark states and the controllable resonance fluorescence spectrum in quantum dot molecules

    NASA Astrophysics Data System (ADS)

    Tian, Si-Cong; Wan, Ren-Gang; Tong, Cun-Zhu; Ning, Yong-Qiang; Qin, Li; Liu, Yun

    2014-08-01

    Optical spectroscopy, a powerful tool for probing and manipulating quantum dots (QDs), has been used to investigate the resonance fluorescence spectrum from linear triple quantum dot molecules controlled by tunneling, using atomic physics methods. Interesting features such as quenching and narrowing of the fluorescence are observed. In such molecules the tunneling between the quantum dots can also induce a dark state. The results are explained by the transition properties of the dressed states generated by the coupling of the laser and the tunneling. Unlike the atomic system, in such quantum dot molecules quantum coherence can be induced using tunneling, requiring no coupling lasers, which will allow tunneling controllable quantum dot molecules to be applied to quantum optics and photonics.

  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. PMID:24016295

  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. Spectral fluorescence signature techniques and absorption measurements for continuous monitoring of biofuel-producing microalgae cultures

    NASA Astrophysics Data System (ADS)

    Martín de la Cruz, M. C.; Gonzalez Vilas, L.; Yarovenko, N.; Spyrakos, E.; Torres Palenzuela, J. M.

    2013-08-01

    Biofuel production from microalgae can be both sustainable and economically viable. Particularly in the case of algal growth in wastewater an extra benefit is the removal or biotransformation of pollutants from these types of waters. A continuous monitoring system of the microalgae status and the concentration of different wastewater contaminants could be of great help in the biomass production and the water characterisation. In this study we present a system where spectral fluorescence signature (SFS) techniques are used along with absorption measurements to monitor microalgae cultures in wastewater and other mediums. This system aims to optimise the microalgae production for biofuel applications or other uses and was developed and tested in prototype indoor photo-bioreactors at the University of Vigo. SFS techniques were applied using the fluorescence analyser INSTAND-SCREENER developed by Laser Diagnostic Instruments AS. INSTAND-SCREENER permits wavelength scanning in two modes, one in UV and another in VIS. In parallel, it permits the on-line monitoring and rapid analysis of both water quality and phytoplankton status without prior treatment of the sample. Considering that different contaminants and microalgae features (density, status etc.) have different spectral signatures of fluorescence and absorption properties, it is possible to characterise them developing classification libraries. Several algorithms were used for the classification. The implementation of this system in an outdoor raceway reactor in a Spanish wastewater treatment plant is also discussed. This study was part of the Project EnerBioAlgae (http://www.enerbioalgae.com/), which was funded by the Interreg SUDOE and led by the University of Vigo.

  10. Monomeric C-phycocyanin at room temperature and 77 K. Resolution of the absorption and fluorescence spectra of the individual chromophores and the energy-transfer rate constants

    SciTech Connect

    Debreczeny, M.P.; Sauer, K. Univ. of California, Berkeley, CA ); Zhou, J.; Bryant, D.A. )

    1993-09-23

    At both room temperature (RT) and 77 K, the absorption and fluorescence spectra of the three individual chromophore types ([alpha][sub 84], [beta][sub 84], and [beta][sub 155]) found in monomeric C-phycocyanin ([alpha][sup PC][beta][sup PC]), isolated from the cyanobacterium Synechococcus sp. PCC 7002, were resolved along with the rates of energy transfer between the chromophores. The cpcB/C155S mutant, whose PC is missing the [beta][sub 155] chromophore, was useful in effecting this resolution. At RT, the single broad peak in the visible region of the absorption spectrum of ([alpha][sup PC][beta][sup PC]) was resolved into its three-component spectra by comparing the steady-state absorption spectra of the isolated wild-type [alpha] subunit of PC ([alpha][sup PC]) (containing only the [alpha][sub 84] chromophore) with those of the monomeric PCs isolated from the mutant strain ([alpha][sup PC][beta]*) and the wild-type strain ([alpha][sup PC][beta][sup PC]). At 77 K, the visible region of the absorption spectrum of ([alpha][sup PC][beta][sup PC]) splits into two peaks. This partial resolution at 77 K of the chromophore spectra of ([alpha][sup PC][beta][sup PC]) when compared with the 77 K absorption spectra of [alpha][sup PC], [beta][sup PC], and ([alpha][sup PC][beta]*) provided a confirmation of our RT assignments of the chromophore absorption spectra. 38 refs., 9 figs., 6 tabs.

  11. A simple dental caries detection system using full spectrum of laser-induced fluorescence

    NASA Astrophysics Data System (ADS)

    Rocha-Cabral, Renata Maciel; Mendes, Fausto Medeiros; Maldonado, Edison Puig; Zezell, Denise Maria

    2015-06-01

    Objectives: to develop an apparatus for the detection of early caries lesions in enamel using the full extent of the tooth fluorescence spectrum, through the integration of a laser diode, fiber optics, filters and one portable spectrometer connected to a computer, all commercially available; to evaluate the developed device in clinical and laboratory tests, and compare its performance with commercial equipment. Methods: clinical examinations were performed in patients with indication for exodontics of premolars. After examinations, the patients underwent surgery and the teeth were stored individually. The optical measurements were repeated approximately two months after extraction, on the same sites previously examined, then histological analysis was carried out. Results: the spectral detector has presented high specificity and moderate sensitivity when applied to differentiate between healthy and damaged tissues, with no significant differences from the performance of the commercial equipment. The developed device is able to detect initial damages in enamel, with depth of approximately 300 μm. Conclusions: we successfully demonstrated the development of a simple and portable system based in laser-induced fluorescence for caries detection, assembled from common commercial parts. As the spectral detector acquires a complete recording of the spectrum from each tissue, it is possible to use it for monitoring developments of caries lesions.

  12. [Study on the interaction of levofloxacin and MCM-41 by fluorescence spectrum].

    PubMed

    Cao, Yuan; Yuan, Qing-hua; Xia, Zhi-ning; Xu, Yan-qin; Bai, Ying-hao

    2009-09-01

    The mesoporous molecular sieve MCM-41 was synthesized by hydrothermal method under microwave irradiation and the levofloxacin was encapsulated in the hexagonal ordered channels of MCM-41 using pickling process. The structure and property of MCM-41 and LVFX/MCM-41 were characterized by means of small-angle X-ray diffraction(XRD), Fourier transform infrared spectroscopy (FTIR), N2 physical adsorption, and thermogravimetric analysis-differential thermal analysis (TGA-DTA). The pore diameter and the specific surface area of the mesoporous molecular sieve MCM-41 synthesized under microwave irradiation were 2.382 nm and 1015 m2 x g(-1) respectively. The fluorescence spectra of MCM-41, LVFX/MCM-41, LVFX (solid) and LVFX (solution) were investigated. The results indicated that there were some visible red shifts in the fluorescence spectrum of the composite of LVFX/MCM-41 as compared with the samples before being encapsulated. It was inferred from the results that hydrogen bonds were formed between levofloxacin and the hydroxy group in the inner pores, and the electron cloud could transfer from the hydroxy group to electro-attracting group. At the same time, the electron cloud could transfer in much larger annulations, and the conjugated system of LVFX was extended because of the new annulations formed, which contributed to the red shifts of the fluorescence spectra. The strong interactions between the LVFX and MCM-41 provided the theory for developing a novel delayed release drug using MCM-41 as the carriers. PMID:19950667

  13. The Electronic Absorption Spectrum of Molecular Iodine: A New Fitting Procedure for the Physical Chemistry Laboratory

    NASA Astrophysics Data System (ADS)

    Pursell, Christopher J.; Doezema, Lambert

    1999-06-01

    This paper presents a different approach to the data treatment for the electronic absorption spectrum of molecular iodine, a standard experiment in the undergraduate physical chemistry laboratory. Traditionally, students analyze the transitions originating from the u'' = 0 level using a Birge-Sponer plot and thereby determine the various molecular constants and energies. Our treatment involves simply fitting the transition frequencies to a second-order polynomial. This fit then yields a direct determination of the important molecular constants along with the various energy terms. With the availability of common graphing programs such as Excel, Kaleidagraph, and SigmaPlot, students can take advantage of more advanced fitting techniques and no longer have to rely on simple linear plots. Additionally, students find this new approach more satisfying and we believe it has pedagogical advantages over the Birge-Sponer treatment.

  14. Theoretical reproduction of the Q-band absorption spectrum of free-base chlorin

    NASA Astrophysics Data System (ADS)

    Wójcik, Justyna; Ratuszna, Alicja; Peszke, Jerzy; Wrzalik, Roman

    2015-01-01

    The computational results of the features observed in the room-temperature Q-band absorption spectrum of free-base chlorin (H2Ch) are presented. The vibrational structures of the first and second excited singlet states were calculated based on a harmonic approximation using density functional theory and its time dependent extension within the Franck-Condon and Herzberg-Teller approaches. The outcome allowed to identify the experimental bands and to assign them to the specific vibrational transitions. A very good agreement between the simulated and measured wavelengths and their relative intensities provided the opportunity to predict the origin of the S0 → S2 transition which could not be determined experimentally.

  15. Theoretical reproduction of the Q-band absorption spectrum of free-base chlorin.

    PubMed

    Wójcik, Justyna; Ratuszna, Alicja; Peszke, Jerzy; Wrzalik, Roman

    2015-01-21

    The computational results of the features observed in the room-temperature Q-band absorption spectrum of free-base chlorin (H2Ch) are presented. The vibrational structures of the first and second excited singlet states were calculated based on a harmonic approximation using density functional theory and its time dependent extension within the Franck-Condon and Herzberg-Teller approaches. The outcome allowed to identify the experimental bands and to assign them to the specific vibrational transitions. A very good agreement between the simulated and measured wavelengths and their relative intensities provided the opportunity to predict the origin of the S0 → S2 transition which could not be determined experimentally. PMID:25612704

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

    NASA Astrophysics Data System (ADS)

    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.

  17. An absorption line in the ultraviolet spectrum of 40 Eridani B

    NASA Technical Reports Server (NTRS)

    Greenstein, J. L.

    1980-01-01

    Two excellent low-resolution spectra show an absorption line of equivalent width 3 A, near 1391 A, in the typical DA (hydrogen atmosphere) white dwarf 40 Eri B. The line is confirmed by a high-resolution spectrum and is the first seen in any DA star. Ultraviolet fluxes and the profile of Lyman-alpha confirm an effective temperature near 17,000 K. If the line is Si IV, it requires a temperature near 40,000 K. Unattractive possibilities are a hot circumstellar absorbing envelope dependent on accretion from companions, or formation at large optical depth in a transparent atmosphere with high Si/H. A suggestion that H2 should be considered leads to the possible interpretation as the (0, 5) transition of the Lyman band, formed at small optical depth. The band should be stronger in cooler DAs.

  18. 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. PMID:22923576

  19. 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.

  20. Invited Review Article: Imaging techniques for harmonic and multiphoton absorption fluorescence microscopy

    PubMed Central

    Carriles, Ramón; Schafer, Dawn N.; Sheetz, Kraig E.; Field, Jeffrey J.; Cisek, Richard; Barzda, Virginijus; Sylvester, Anne W.; Squier, Jeffrey A.

    2009-01-01

    We review the current state of multiphoton microscopy. In particular, the requirements and limitations associated with high-speed multiphoton imaging are considered. A description of the different scanning technologies such as line scan, multifoci approaches, multidepth microscopy, and novel detection techniques is given. The main nonlinear optical contrast mechanisms employed in microscopy are reviewed, namely, multiphoton excitation fluorescence, second harmonic generation, and third harmonic generation. Techniques for optimizing these nonlinear mechanisms through a careful measurement of the spatial and temporal characteristics of the focal volume are discussed, and a brief summary of photobleaching effects is provided. Finally, we consider three new applications of multiphoton microscopy: nonlinear imaging in microfluidics as applied to chemical analysis and the use of two-photon absorption and self-phase modulation as contrast mechanisms applied to imaging problems in the medical sciences. PMID:19725639

  1. New Approaches for Correction of Interlayer Absorption Effects in X-ray Fluorescence Imaging of Paintings.

    PubMed

    Wróbel, Paweł M; Frączek, Piotr; Lankosz, Marek

    2016-02-01

    The X-ray fluorescence imaging technique allows not only the imaging itself but also the identification of the hidden paint layers what makes it much more versatile as compared with X-ray radiography. One of the main disadvantages of the former method is the fact that the characteristic X-rays from the deeper paint layers are absorbed in the covering layers. This effect is manifested by some artifacts that impede a proper interpretation of the acquired images. In this work, it is shown that the methodology for correction of the interlayer absorption effects can be extended to the case of polychromatic excitation. Additionally, a new approach for determination of the optimal correction parameters has also been presented. The methodology was verified using either the test painting or the mock-up painting both measured with a table-top micro-XRF setup. PMID:26708500

  2. Absorption, fluorescence, and acid-base equilibria of rhodamines in micellar media of sodium dodecyl sulfate.

    PubMed

    Obukhova, Elena N; Mchedlov-Petrossyan, Nikolay O; Vodolazkaya, Natalya A; Patsenker, Leonid D; Doroshenko, Andrey O; Marynin, Andriy I; Krasovitskii, Boris M

    2017-01-01

    Rhodamine dyes are widely used as molecular probes in different fields of science. The aim of this paper was to ascertain to what extent the structural peculiarities of the compounds influence their absorption, emission, and acid-base properties under unified conditions. The acid-base dissociation (HR(+)⇄R+H(+)) of a series of rhodamine dyes was studied in sodium n-dodecylsulfate micellar solutions. In this media, the form R exists as a zwitterion R(±). The indices of apparent ionization constants of fifteen rhodamine cations HR(+) with different substituents in the xanthene moiety vary within the range of pKa(app)=5.04 to 5.53. The distinct dependence of emission of rhodamines bound to micelles on pH of bulk water opens the possibility of using them as fluorescent interfacial acid-base indicators. PMID:27423469

  3. Solvent dependence of two-photon absorption spectra of the enhanced green fluorescent protein (eGFP) chromophore

    NASA Astrophysics Data System (ADS)

    Hosoi, Haruko; Tayama, Ryo; Takeuchi, Satoshi; Tahara, Tahei

    2015-06-01

    Two-photon absorption spectra of 4‧-hydroxybenzylidene-2,3-dimethylimidazolinone, a model chromophore of enhanced green fluorescent protein (eGFP), were measured in various solvents. The two-photon absorption band of its anionic form is markedly blue-shifted from the corresponding one-photon absorption band in all solvents. Moreover, the magnitude of the blue shift varies largely depending on the solvent, which does not accord with the assignment of the two-photon absorption band to the transitions to the vibrationally excited S1 state. Our finding is readily rationalized by considering overlapping contributions of the S1 ← S0 and S2 ← S0 transitions, suggesting the involvement of the S2 state also in two-photon fluorescence of eGFP.

  4. Deconvolution of C-phycocyanin beta-84 and beta-155 chromophore absorption and fluorescence spectra of cyanobacterium Mastigocladus laminosus.

    PubMed Central

    Demidov, A A; Mimuro, M

    1995-01-01

    Absorption and fluorescence spectra of the C-phycocyanin beta-subunit were quantitatively deconvoluted into component spectra of the beta-84 and beta-155 chromophores. The deconvolution procedure was based on a theoretical treatment of polarization properties. Four kinds of spectra (absorption, emission, emission polarization, and excitation polarization) measured on C-phycocyanin isolated from the cyanobacterium Mastigocladus laminosus were used as the experimental data set. Without any assumption of spectral shape, the absorption and fluorescence spectra of both chromophores were unambiguously resolved and their fluorescence quantum yields were evaluated. By combining the spectra of the alpha-subunit, independently measured, with the resolved spectra of the beta-subunit, the fluorescence and fluorescence polarization spectra and the fluorescence quantum yield of the monomer were estimated; they agree with experimental values to within an acceptable error. Further, the matrix of energy transfer rates in the monomer was estimated; it gave a significantly different result (by up to 40%) from previously estimated ones. PMID:7787035

  5. Airborne intercomparison of vacuum ultraviolet fluorescence and tunable diode laser absorption measurements of tropospheric carbon monoxide

    NASA Astrophysics Data System (ADS)

    Holloway, John S.; Jakoubek, Roger O.; Parrish, David D.; Gerbig, Christoph; Volz-Thomas, Andreas; Schmitgen, Sandra; Fried, Alan; Wert, Brian; Henry, Bruce; Drummond, James R.

    2000-01-01

    During the fall 1997 North Atlantic Regional Experiment (NARE 97), two separate intercomparisons of aircraft-based carbon monoxide measurement instrumentation were conducted. On September 2, CO measurements were simultaneously made aboard the National Oceanic and Atmospheric Administration (NOAA) WP-3 by vacuum ultraviolet (VUV) fluorescence and by tunable diode laser absorption spectroscopy (TDLAS). On September 18, an intercomparison flight was conducted between two separate instruments, both employing the VUV fluorescence method, on the NOAA WP-3 and the U.K. Meteorological Office C-130 Hercules. The results indicate that both of the VUV fluorescence instruments and the TDLAS system are capable of measuring ambient CO accurately and precisely with no apparent interferences in 5 s. The accuracy of the measurements, based upon three independent calibration systems, is indicated by the agreement to within 11% with systematic offsets of less than 1 ppbv. In addition, one of the groups participated in the Measurement of Air Pollution From Satellite (MAPS) intercomparison [Novelli et al., 1998] with a different measurement technique but very similar calibration system, and agreed with the accepted analysis to within 5%. The precision of the measurements is indicated by the variability of the ratio of simultaneous measurements from the separate instruments. This variability is consistent with the estimated precisions of 1.5 ppbv and 2.2 ppbv for the 5 s average results of the C-130 and the WP-3 instruments, respectively, and indicates a precision of approximately 3.6% for the TDLAS instrument. The excellent agreement of the instruments in both intercomparisons demonstrates that significant interferences in the measurements are absent in air masses that ranged from 7 km in the midtroposphere to boundary layer conditions including subtropical marine air and continental outflow with embedded urban plumes. The intercomparison of the two VUV instruments that differed widely

  6. pH-Induced changes in electronic absorption and fluorescence spectra of phenazine derivatives

    NASA Astrophysics Data System (ADS)

    Ryazanova, O. A.; Voloshin, I. M.; Makitruk, V. L.; Zozulya, V. N.; Karachevtsev, V. A.

    2007-04-01

    The visible electronic absorption and fluorescence spectra as well as fluorescence polarization degrees of imidazo-[4,5-d]-phenazine (F1), 2-methylimidazo-[4,5-d]-phenazine (F2), 2-trifluoridemethylimidazo-[4,5-d]-phenazine (F3), 1,2,3-triazole-[4,5-d]-phenazine (F4) and their glycosides, imidazo-[4,5-d]-phenazine-N1-β- D-ribofuranoside (F1rib), 1,2,3-triazole-[4,5-d]-phenazine-N1-β- D-glucopyranoside (F4gl), were investigated in aqueous buffered solutions over the pH range of 0-12, where the spectral transformations were found to be reversible. The effects of protonation and deprotonation on spectral properties of these dyes were studied. We have determined the ranges of pH, where individual ionic species are predominant. In aqueous buffered solutions the fluorescence was found only for neutral species of F1, F1rib, F2, and F4gl dyes, whereas for the ionic forms of these dyes, as well as for F3 and F4 ones, the fluorescence has not been detected. The concentrational deprotonation p Ka values were evaluated from experimental data. It was shown that donor-acceptor properties of the substituent group in the second position of the pentagonal ring substantially affect the values of the deprotonation constants and the character of protonation for chromophore. The substitution of a hydrogen atom in the NH-group by the sugar residue blocks the formation of the anionic species, and results in enhancement of the dye emission intensity. The steep emission dependence for F1 and F1rib over pH range of 0-7 with intensities ratio of IpH 7/ IpH 1 = 60 allows us to propose them as possible indicator dyes in luminescence based pH sensors for investigation of processes accompanied by acidification, e.g. as gastric pH-sensors. A comparative analysis of the studied dyes has shown that F4gl is the most promising compound to be used as a fluorescent probe for investigation of molecular hybridization of nucleic acids.

  7. The soft X-ray absorption spectrum of the allyl free radical.

    PubMed

    Alagia, M; Bodo, E; Decleva, P; Falcinelli, S; Ponzi, A; Richter, R; Stranges, S

    2013-01-28

    The first experimental study of the X-ray absorption spectrum (XAS) of the allyl free radical, CH(2)CHCH(2), is reported. A supersonic He seeded beam of hyperthermal allyl radicals was crossed by a high resolution synchrotron radiation (SR) in the focus of a 3D ion momentum imaging time-of-flight (TOF) spectrometer to investigate the soft X-ray absorption and fragmentation processes. The XAS, recorded as Total-Ion-Yield (TIY), is dominated by C1s electron excitations from either the central carbon atom, C(C), or the two terminal carbon atoms, C(T), to the frontier orbitals, the semi-occupied-molecular-orbital (SOMO) and the lowest-unoccupied-molecular-orbital (LUMO). All of the intense features in the XAS could only be assigned with the aid of ab initio spectral simulation at the Multi-Configuration Self-Consistent-Field (MCSCF) level of theory, this level being required because of the multi-reference nature of the core-excited state wavefunctions of the open shell molecule. The ionization energies (IEs) of the singlet and triplet states of the C1s ionized allyl radical (XPS) were also calculated at the MCSCF level. PMID:23232557

  8. 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. PMID:27087455

  9. Heavy Metals Effect on Cyanobacteria Synechocystis aquatilis Study Using Absorption, Fluorescence, Flow Cytometry, and Photothermal Measurements

    NASA Astrophysics Data System (ADS)

    Dudkowiak, A.; Olejarz, B.; Łukasiewicz, J.; Banaszek, J.; Sikora, J.; Wiktorowicz, K.

    2011-04-01

    The toxic effect of six heavy metals on cyanobacteria Synechocystis aquatilis was studied by absorption, fluorescence, flow cytometry, and photothermal measurements. This study indicates that at the concentration used, the cyanobacteria are more sensitive to silver, copper, and mercury than to cadmium, lead, and zinc metals. Disregarding the decrease in the yields of the related radiative processes caused by photochemical processes and/or damage to phycobilisomes, no changes were detected in the efficiency of thermal deactivation processes within a few microseconds, which can indicate the lack of disturbances in the photosynthetic light reaction and the lack of damage to the photosystem caused by the heavy metal ions in the concentrations used. The results demonstrate that the relative values of fluorescence yield as well as promptly generated heat calculated for the metal-affected and unaffected (reference) bacteria are sensitive indicators of environmental pollution with heavy metal ions, whereas the complementary methods proposed could be used as a noninvasive and fast procedure for in vivo assessment of their toxicity.

  10. Analysis of urinary stone based on a spectrum absorption FTIR-ATR

    NASA Astrophysics Data System (ADS)

    Asyana, V.; Haryanto, F.; Fitri, L. A.; Ridwan, T.; Anwary, F.; Soekersi, H.

    2016-03-01

    This research analysed the urinary stone by measuring samples using Fourier transform infrared-attenuated total reflection spectroscopy and black box analysis. The main objective of this study is to find kinds of urinary stone and determine a total spectrum, which is a simple model of the chemical and mineral composition urinary stone through black box analysis using convolution method. The measurements result showed that kinds of urinary stone were pure calcium oxalate monohydrate, ion amino acid calcium oxalate monohydrate, a mixture of calcium oxalate monohydrate with calcium phosphate, a mixture of ion amino acid calcium oxalate monohydrate and calcium phosphate,pure uric acid, ion amino acid uric acid, and a mixture of calcium oxalate monohydrate with ion amino acid uric acid. The results of analysis of black box showed characteristics as the most accurate and precise to confirm the type of urinary stones based on theregion absorption peak on a graph, the results of the convolution, and the shape of the total spectrum on each urinary stones.

  11. 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.

  12. Determination of mercury distribution inside spent compact fluorescent lamps by atomic absorption spectrometry

    SciTech Connect

    Rey-Raap, Natalia

    2012-05-15

    Highlights: Black-Right-Pointing-Pointer New treatments for CFL are required considering the aim of Directive 202/96/CE. Black-Right-Pointing-Pointer It is shown that most of the mercury introduced into a CFL is in the phosphor powder. Black-Right-Pointing-Pointer Experimental conditions for microwave-assisted sample digestion followed by AAS measurements are described. Black-Right-Pointing-Pointer By washing the glass it is possible to reduce the concentration below legal limits. - Abstract: In this study, spent compact fluorescent lamps were characterized to determine the distribution of mercury. The procedure used in this research allowed mercury to be extracted in the vapor phase, from the phosphor powder, and the glass matrix. Mercury concentration in the three phases was determined by the method known as cold vapor atomic absorption spectrometry. Median values obtained in the study showed that a compact fluorescent lamp contained 24.52 {+-} 0.4 ppb of mercury in the vapor phase, 204.16 {+-} 8.9 ppb of mercury in the phosphor powder, and 18.74 {+-} 0.5 ppb of mercury in the glass matrix. There are differences in mercury concentration between the lamps since the year of manufacture or the hours of operation affect both mercury content and its distribution. The 85.76% of the mercury introduced into a compact fluorescent lamp becomes a component of the phosphor powder, while more than 13.66% is diffused through the glass matrix. By washing and eliminating all phosphor powder attached to the glass surface it is possible to classified the glass as a non-hazardous waste.

  13. Diagnostics of a see-through hollow cathode discharge by emission, absorption, and fluorescence spectroscopy

    NASA Astrophysics Data System (ADS)

    Taylor, Nicholas

    Atomic line filters have been suggested to be attractive in areas of Doppler velocimetry, resonance fluorescence detection, and resonance ionization detection. They are based on the resonant absorption of photons by an atomic vapor, and allow all other radiation to pass. This allows the detection of very low levels of light superimposed on a large optical background. Several elements have been studied for use as atomic line filters, such as the alkali metals, alkaline earths, and thallium. As previously recognized, thallium is especially attractive since the 535.046 nm metastable transition overlaps with the second harmonic output of an Nd:La2Be2O 5 (BEL) laser (1070 nm). This makes thallium ideal for certain applications as an atomic line filter. Recently a see-through hollow cathode lamp, or galvatron (Hamamatsu), was made commercially available. The galvatron geometry is unique compared to traditional hollow cathode lamps since the cathode and cell are oriented in a T-shape, with the cathode bored completely through to allow the propagation of a light source through the cathode. This allows multi-step excitation of the atomic vapor, not easily accomplished with a traditional hollow cathode lamp. The advantages that a galvatron offers over conventional atomic reservoirs make it an attractive candidate for the application as an atomic line filter; however, little spectroscopic data have been found in the literature. For this reason, Doppler temperatures, number densities, quantum efficiencies, and lifetimes have been determined in order to characterize this atomic reservoir as a potential atomic line filter. These parameters are determined by use of various spectroscopic techniques which include emission, absorption, time-resolved fluorescence, and time-resolved laser-induced saturated fluorescence spectroscopy. From these measurements, it has been demonstrated that a galvatron is an attractive atomic reservoir for applications as an atomic line filter. The

  14. Microwave-assisted synthesis of water-soluble, fluorescent gold nanoclusters capped with small organic molecules and a revealing fluorescence and X-ray absorption study

    NASA Astrophysics Data System (ADS)

    Helmbrecht, C.; Lützenkirchen-Hecht, D.; Frank, W.

    2015-03-01

    Colourless solutions of blue light-emitting, water-soluble gold nanoclusters (AuNC) were synthesized from gold colloids under microwave irradiation using small organic molecules as ligands. Stabilized by 1,3,5-triaza-7-phosphaadamantane (TPA) or l-glutamine (GLU), fluorescence quantum yields up to 5% were obtained. AuNC are considered to be very promising for biological labelling, optoelectronic devices and light-emitting materials but the structure-property relationships have still not been fully clarified. To expand the knowledge about the AuNC apart from their fluorescent properties they were studied by X-ray absorption spectroscopy elucidating the oxidation state of the nanoclusters' gold atoms. Based on curve fitting of the XANES spectra in comparison to several gold references, optically transparent fluorescent AuNC are predicted to be ligand-stabilized Au5+ species. Additionally, their near edge structure compared with analogous results of polynuclear clusters known from the literature discloses an increasing intensity of the feature close to the absorption edge with decreasing cluster size. As a result, a linear relationship between the cluster size and the X-ray absorption coefficient can be established for the first time.Colourless solutions of blue light-emitting, water-soluble gold nanoclusters (AuNC) were synthesized from gold colloids under microwave irradiation using small organic molecules as ligands. Stabilized by 1,3,5-triaza-7-phosphaadamantane (TPA) or l-glutamine (GLU), fluorescence quantum yields up to 5% were obtained. AuNC are considered to be very promising for biological labelling, optoelectronic devices and light-emitting materials but the structure-property relationships have still not been fully clarified. To expand the knowledge about the AuNC apart from their fluorescent properties they were studied by X-ray absorption spectroscopy elucidating the oxidation state of the nanoclusters' gold atoms. Based on curve fitting of the XANES

  15. Measurement of the UHECR Energy Spectrum by the Telescope Array Fluorescence Detectors

    NASA Astrophysics Data System (ADS)

    Stroman, Thomas; Bergman, Douglas

    2013-04-01

    Ultra-high-energy cosmic rays (UHECRs), subatomic charged particles of extraterrestrial origin and with kinetic energies near or exceeding 10^18 eV, are very rare. The Telescope Array (TA) experiment in western Utah is the northern hemisphere's largest UHECR detector, and consists of three atmospheric fluorescence detectors (FDs) and a ground array of 507 scintillator detectors. In stand-alone ``monocular'' operation, the FDs can observe the widest range in primary UHECR energies. One FD employs refurbished hardware from the High-Resolution Fly's Eye experiment; the remaining two FDs were designed for TA and employ new hardware and analysis. We will present the UHECR energy spectrum measured by the FDs in monocular mode using data collected during the first four years of operation.

  16. Fluorescence efficiency and visible re-emission spectrum of tetraphenyl butadiene films at extreme ultraviolet wavelengths

    NASA Astrophysics Data System (ADS)

    Gehman, V. M.; Seibert, S. R.; Rielage, K.; Hime, A.; Sun, Y.; Mei, D.-M.; Maassen, J.; Moore, D.

    2011-10-01

    A large number of current and future experiments in neutrino and dark matter detection use the scintillation light from noble elements as a mechanism for measuring energy deposition. The scintillation light from these elements is produced in the extreme ultraviolet (EUV) range, from 60 to 200 nm. Currently, the most practical technique for observing light at these wavelengths is to surround the scintillation volume with a thin film of tetraphenyl butadiene (TPB) to act as a fluor. The TPB film absorbs EUV photons and re-emits visible photons, detectable with a variety of commercial photosensors. Here we present a measurement of the re-emission spectrum of TPB films when illuminated with 128, 160, 175, and 250 nm light. We also measure the fluorescence efficiency as a function of incident wavelength from 120 to 250 nm.

  17. Theoretical description of femtosecond fluorescence depletion spectrum of molecules in solution.

    PubMed

    Niu, Kai; Dong, Li-Qing; Cong, Shu-Lin

    2007-09-28

    A theoretical model used for calculating the fluorescence depletion spectrum (FDS) of molecules in liquids induced by femtosecond pump-probe laser pulses is proposed based on the reduced density matrix theory. The FDS intensity is obtained by calculating the stimulated emission of the excited electronic state. As an application of the theoretical model, the FDS of oxazine 750 (OX-750) molecule in acetone solution is calculated. The simulated FDS agrees with the experimental result of Liu et al. [J. Y. Liu et al., J. Phys. Chem. A 107, 10857 (2003)]. The calculated vibrational relaxation rate is 2.5 ps(-1) for the OX-750 molecule. Vibrational population dynamics and wave packet evolution in the excited state are described in detail. The effect of the probe pulse parameter on the FDS is also discussed. PMID:17902916

  18. A benzo-15-crown-5-modifying ratiometric-absorption and fluorescent OFF-ON chemosensor for Cu(2.).

    PubMed

    Chen, Yuting; Wang, Xinxin; Wang, Kaili; Zhang, Xiuling

    2016-05-15

    One new benzo-15-crown-5-modifying fluorene Schiff base (FBC), together with the CN-linked fluorene-3,4-dimethoxybenzene (FBDMO) and fluorene-benzene (FB) references, has been designed and facilely synthesized. The binding of Cu(2+) with nitrogen atom of CN moiety in these three compounds can inhibit the photo-induced electronic transition process and induce the ratiometric-absorption and fluorescent OFF-ON response to Cu(2+). Whereas the employment of benzo-15-crown-5 moiety in FBC as additional binding platform for Cu(2+) not only amplifies the fluorescent enhancement of FBCvia preventing the isomerization of CN moiety, but also endows this compound high selectivity and rapid response towards Cu(2+) over the references FB and FBDMO. These results render FBC highly sensitive ratiometric-absorption and fluorescent OFF-ON detecting potential for Cu(2+) with the detection limit of 3.91×10(-6)M. PMID:26971023

  19. A benzo-15-crown-5-modifying ratiometric-absorption and fluorescent OFF-ON chemosensor for Cu2 +

    NASA Astrophysics Data System (ADS)

    Chen, Yuting; Wang, Xinxin; Wang, Kaili; Zhang, Xiuling

    2016-05-01

    One new benzo-15-crown-5-modifying fluorene Schiff base (FBC), together with the Cdbnd N-linked fluorene-3,4-dimethoxybenzene (FBDMO) and fluorene-benzene (FB) references, has been designed and facilely synthesized. The binding of Cu2 + with nitrogen atom of Cdbnd N moiety in these three compounds can inhibit the photo-induced electronic transition process and induce the ratiometric-absorption and fluorescent OFF-ON response to Cu2 +. Whereas the employment of benzo-15-crown-5 moiety in FBC as additional binding platform for Cu2 + not only amplifies the fluorescent enhancement of FBCvia preventing the isomerization of Cdbnd N moiety, but also endows this compound high selectivity and rapid response towards Cu2 + over the references FB and FBDMO. These results render FBC highly sensitive ratiometric-absorption and fluorescent OFF-ON detecting potential for Cu2 + with the detection limit of 3.91 × 10- 6 M.

  20. Text recovery from the ultraviolet-fluorescent spectrum for treatises of the Archimedes Palimpsest

    NASA Astrophysics Data System (ADS)

    Bloechl, Kevin; Hamlin, Hugh; Easton, Roger L., Jr.

    2010-02-01

    It has been reported previously that the readability of text in the original Archimedean treatises in the Archimedes Palimpsest is enhanced by spatially normalizing the images and rendering spectral differences in pseudocolor. Though this method worked well for some of the original texts in the palimpsest, the readability of the original text was improved little or not at all on leaves of a commentary on Aristotle's "Categories" by Alexander of Aphrodisias. This is not very surprising, since the various original works within the palimpsest were written by different scribes at various times and places, so the spectral responses of the inks in different manuscripts may be different. However, there is much scholarly interest in the readings from this text, so different image processing techniques were implemented. It was found that significant text information could be recovered from this manuscript by principal component analysis applied to color images of the fluorescence generated under ultraviolet illumination. This result indicates that useful text information is conveyed by the spectrum of the ultraviolet fluorescence. The success of this technique has changed the protocol used in image collections with other manuscripts.

  1. Nonlinear reconstruction of absorption and fluorescence contrast from measured diffuse transmittance and reflectance of a compressed-breast-simulating phantom

    SciTech Connect

    Ziegler, Ronny; Nielsen, Tim; Koehler, Thomas; Grosenick, Dirk; Steinkellner, Oliver; Hagen, Axel; Macdonald, Rainer; Rinneberg, Herbert

    2009-08-20

    We report on the nonlinear reconstruction of local absorption and fluorescence contrast in tissuelike scattering media from measured time-domain diffuse reflectance and transmittance of laser as well as laser-excited fluorescence radiation. Measurements were taken at selected source-detector offsets using slablike diffusely scattering and fluorescent phantoms containing fluorescent heterogeneities. Such measurements simulate in vivo data that would be obtained employing a scanning, time-domain fluorescence mammograph, where the breast is gently compressed between two parallel glass plates, and source and detector optical fibers scan synchronously at various source-detector offsets, allowing the recording of laser and fluorescence mammograms. The diffusion equations modeling the propagation of the laser and fluorescence radiation were solved in frequency domain by the finite element method simultaneously for several modulation frequencies using Fourier transformation and preprocessed experimental data. To reconstruct the concentration of the fluorescent contrast agent, the Born approximation including higher-order reconstructed photon densities at the excitation wavelength was used. Axial resolution was determined that can be achieved by various detection schemes. We show that remission measurements increase the depth resolution significantly.

  2. The integrated radio continuum spectrum of M33 - Evidence for free-free absorption by cool ionized gas

    NASA Technical Reports Server (NTRS)

    Israel, F. P.; Mahoney, M. J.; Howarth, N.

    1992-01-01

    We present measurements of the integrated radio continuum flux density of M33 at frequencies between 22 and 610 MHz and discuss the radio continuum spectrum of M33 between 22 MHz and 10 GHz. This spectrum has a turnover between 500 and 900 MHz, depending on the steepness of the high frequency radio spectrum of M33. Below 500 MHz the spectrum is relatively flat. We discuss possible mechanisms to explain this spectral shape and consider efficient free-free absorption of nonthermal emission by a cool (not greater than 1000 K) ionized gas to be a very likely possibility. The surface filling factor of both the nonthermal and the thermal material appears to be small (of order 0.001), which could be explained by magnetic field/density fluctuations in the M 33 interstellar medium. We briefly speculate on the possible presence of a nuclear radio source with a steep spectrum.

  3. 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.

  4. 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.

  5. Development of nanostructured luminophor coating for broadening of solar cell absorption spectrum

    NASA Astrophysics Data System (ADS)

    Kryuchyn, A. A.; Beliak, Ie. V.

    2014-10-01

    One of the major concerns in the area of high efficient solar cell production is a substantial shift between the solar radiation spectra and optical absorption spectra of a photoelectric transducer that significantly reduces solar cell efficiency. We propose a concept which based on coating of conventional and cheap photoelectric transducer with a luminophor that transmits longer wavelengths of the sunlight, absorbs shorter wavelengths and converts them into longer ones by the value of the Stocks shift. While photoluminescent light is not collimated and thus losses may reach up to 50% of converted light, it was also proposed to make micropattern formation at photoelectric transducer surface. We propose synthesizing of specific materials based on composite pyrazoline dyes with addition of polymethylmethacrylate, polystyrene and UV-laquers. It was revealed that synthesized luminophor coating are characterized by sufficiently enough Stocks shift (200-400 nm), high quantum yield (near 80%) and stability under circumstances of long term radiation. Further research demonstrated potential of the significant characteristic's improvement by introducing of organic dye molecules in the white zeolite matrix with additional laser annealing at low intensity. Experimental results have shown that photoluminescent spectrum of pyrazoline dye didn't change shape, bandwidth and amplitude for last 10 years. It was decided that obtained stability is being caused by porous matrix of white zeolite. Simulation of the solar cell functioning helped to understand physics of the process and simplify problem of microrelief and luminophor optimal parameters search.

  6. 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. PMID:23955229

  7. Absorption spectrum and ultrafast response of monolayer and bilayer transition-metal dichalcogenides

    NASA Astrophysics Data System (ADS)

    Turkowski, Volodymyr; Ramirez-Torres, Alfredo; Rahman, Talat S.

    2015-03-01

    We apply a combined time-dependent density functional theory and many-body theory approach to examine the absorption spectrum and nonequilibrium response of monolayer and bilayer MoS2, MoSe2, WS2 and WSe2 systems. In particular, we evaluate the possibility of existence of bound states - excitons and trions in the undoped systems. In a previous work we have already demonstrated that the binding energies of these states in the monolayer systems are large which makes them available for room temperature applications. We analyze the possibility of ultrafast electron-hole separation in bilayer systems through inter-layer hole transfer, and show that such a possibility exists, in agreement with experimental observations. For doped systems we consider the possibility of Mahan excitonic states in monolayers and show that the binding energy for these states is of the order of 10 meV. We perform a detailed analysis of the relaxation of doped monolayers excited by ultrafast laser pulse by taking into account electron-phonon scattering effects, and demonstrate that ultrafast (10-100fs) processes, including luminescence, may be relevant for these materials. Work supported in part by DOE Grant No. DOE-DE-FG02-07ER46354.

  8. Temperature dependence of the fluorescence spectrum of ZnCdS nanoparticles introduced into adipose tissue in vitro

    NASA Astrophysics Data System (ADS)

    Yanina, I. Y.; Volkova, E. K.; Popov, A. P.; Bykov, A. V.; Kochubey, V. I.; Skaptsov, A. A.; Konyukhova, J. G.; Tuchin, V. V.

    2015-07-01

    Temperature dependence of the fluorescence spectrum of ZnCdS nanoparticles introduced into 200-500 μm thick fat tissue slices in vitro was studied. The heating of the samples from the room to physiological temperature results in stronger (in depth) and faster tissue morphology change. This can help to detect location of nanoparticles during fat cell photothermolysis.

  9. A multi-channel monolithic Ge detector system for fluorescence x-ray absorption spectroscopy

    SciTech Connect

    Bucher, J.J.; Allen, P.G.; Edelstein, N.M.; Shuh, D.K.; Madden, N.W.; Cork, C.; Luke, P.; Pehl, D.; Malone, D.

    1995-03-01

    Construction and performance of a monolithic quad-pixel Ge detector for fluorescence x-ray absorption spectroscopy (XAS) at synchrotron radiation sources are described. The detector semiconductor element has an active surface area of 4.0 cm{sup 2} which is electrically separated into four 1.0 cm{sup 2} pixels, with little interfacial dead volume. Spatial response of the array shows that cross-talk between adjacent pixels is < 10% for 5.9 keV photons that fall within 0.5 mm of the pixel boundaries. The detector electronics system uses pre-amplifiers built at LBNL with commercial Tennelec Model TC 244 amplifiers. Using an {sup 55}Fe test source (MnK{sub {alpha}}, 5.9 keV), energy resolution of better than 200 eV is achieved with a 4 {mu}sec peaking time. At 0.5 {mu}sec peaking time, pulse pileup results in a 75% throughput efficiency for an incoming count rate of 100 kHz. Initial XAS fluoresncece measurements at the beamline 4 wiggler end stations at SSRL show that the detector system has several advantages over commercial x-ray spectrometers for low-concentration counting.

  10. Shape of the absorption and fluorescence spectra of condensed phases and transition energies.

    PubMed

    Lagos, Miguel; Paredes, Rodrigo

    2014-11-13

    General integral expressions for the temperature-dependent profile of the spectral lines of photon absorption and emission by atomic or molecular species in a condensed environment are derived with no other hypothesis than: (a) The acoustic vibrational modes of the condensed host medium constitute the thermodynamic energy reservoir at a given constant temperature, and local electronic transitions modifying the equilibrium configuration of the surroundings are multiphonon events, regardless of the magnitude of the transition energy. (b) Electron-phonon coupling is linear in the variations of the bond length. The purpose is to develop a theoretical tool for the analysis of the spectra, allowing us to grasp highly accurate information from fitting the theoretical line shape function to experiment, including those spectra displaying wide features. The method is illustrated by applying it to two dyes, Lucifer Yellow CH and Coumarin 1, which display fluorescence maxima of 0.41 and 0.51 eV fwhm. Fitting the theoretical curves to the spectra indicates that the neat excitation energies are 2.58 eV ± 2.5% and 3.00 eV ± 2.0%, respectively. PMID:25321927

  11. Americium characterization by X-ray fluorescence and absorption spectroscopy in plutonium uranium mixed oxide

    NASA Astrophysics Data System (ADS)

    Degueldre, Claude; Cozzo, Cedric; Martin, Matthias; Grolimund, Daniel; Mieszczynski, Cyprian

    2013-06-01

    Plutonium uranium mixed oxide (MOX) fuels are currently used in nuclear reactors. The actinides in these fuels need to be analyzed after irradiation for assessing their behaviour with regard to their environment and the coolant. In this work the study of the atomic structure and next-neighbour environment of Am in the (Pu,U)O2 lattice in an irradiated (60 MW d kg-1) MOX sample was performed employing micro-X-ray fluorescence (µ-XRF) and micro-X-ray absorption fine structure (µ-XAFS) spectroscopy. The chemical bonds, valences and stoichiometry of Am (˜0.66 wt%) are determined from the experimental data gained for the irradiated fuel material examined in its peripheral zone (rim) of the fuel. In the irradiated sample Am builds up as Am3+ species within an [AmO8]13- coordination environment (e.g. >90%) and no (<10%) Am(IV) or (V) can be detected in the rim zone. The occurrence of americium dioxide is avoided by the redox buffering activity of the uranium dioxide matrix.

  12. New aspects concerning the energy transfer in carotenoids by measuring intracavity absorption spectra and delayed fluorescence

    NASA Astrophysics Data System (ADS)

    Bettermann, Hans; Bouschen, Werner; Ulrich, Lars; Domnick, Gabriele; Martin, H. D.

    1999-05-01

    The first excited singlet state and the lower energetic triplet states of carotenoids are considered to be involved in the light-harvesting as well as in the photochemical protection of cells, respectively. For this reason, the symmetry-forbidden S 0-S 1 (1 1A g-2 1A g) transitions and the multiplicity-forbidden S 0-T 2 (1 1A g-2 3A g) transition of the model carotenoid 8,13-dimethyl-2,2,19,19-tetramethoxy-icosa-4,6,8,10,12,14,16-heptaene-3,18-dione were investigated by intracavity absorption spectroscopy from low-concentrated ethanolic solutions. Both transitions are shaped by promoting modes caused by Herzberg-Teller coupling and the sequence of these modes allows the precise determination of the non-visible S 0-S 1 (0-0)- and S 0-T 2 (0-0)-transitions. The assignments of the singlet-triplet transitions were additionally supported by measuring delayed fluorescence from crystalline samples by directly exciting vibronic triplet states. The vibronic coupling is promoted by C-H bending vibrations of the chain and mainly by deformation modes of the terminating groups of the carotenoid.

  13. Saturable absorption dynamics in the triplet system and triplet excitation induced singlet fluorescence of some organic molecules

    NASA Astrophysics Data System (ADS)

    Gratz, H.; Penzkofer, A.

    2001-01-01

    The triplet saturable absorption behaviour of the xanthene dyes eosin Y, erythrosin B, and rose bengal and of the fullerene molecule C 70 is studied. The molecules are excited to the S 1-state by intense picosecond pulses (wavelength λP=527 nm). They relax dominantly to the triplet system by intersystem crossing. The triplet-triplet saturable absorption is investigated with time-delayed intense picosecond pulses (wavelength λL=1054 nm) in the transparency region of the molecules in the singlet ground state. Higher excited-state triplet absorption cross-sections and higher excited-state triplet relaxation times are determined by numerical simulation of the experimental results. Time-resolved fluorescence measurements reveal higher excited-state triplet to singlet back-intersystem-crossing and multi-step triplet photoionization. Additionally the two-photon absorption cross-sections at λL=1054 nm are determined by measurement of the fundamental pulse two-photon induced fluorescence relative to the second-harmonic pulse single-photon induced fluorescence.

  14. CFCl3 (CFC-11): UV Absorption Spectrum Temperature Dependence Measurements and the Impact on Atmospheric Lifetime Uncertainty

    NASA Astrophysics Data System (ADS)

    McGillen, M.; Fleming, E. L.; Jackman, C. H.; Burkholder, J. B.

    2013-12-01

    CFCl3 (CFC-11) is both a major ozone-depleting substance and a 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 the NASA Goddard Space Flight Center 2-D coupled chemistry-radiation-dynamics model and the spectrum parameterization developed in this work. The modeled 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. CFCl 3 (CFC-11) 2-D model results: Left: Global annually averaged loss rate coefficient (local lifetime) and photolysis and reaction contributions (see legend). Middle: Molecular loss rate and uncertainty limits; the slow and fast profiles were calculated using the 2σ uncertainty estimates in the CFC-11 UV absorption spectrum from this work. Right: CFC-11 concentration profile. CFC-11 loss process contribution to the overall local lifetime uncertainty (2σ) calculated using the 2-D model (see text). Left: Results obtained from this work. Right: Results obtained using model input from Sander et al. [2011] and updates in SPARC [2013].

  15. Natural speciation of Zn at the micrometer scale in a clayey soil using X-ray fluorescence, absorption, and diffraction

    NASA Astrophysics Data System (ADS)

    Manceau, Alain; Marcus, Matthew A.; Tamura, Nobumichi; Proux, Olivier; Geoffroy, Nicolas; Lanson, Bruno

    2004-06-01

    Combined use of synchrotron-based X-ray fluorescence (SXRF), diffraction (XRD), and absorption (EXAFS) with an X-ray spot size as small as five micrometers allows us to examine noninvasively heterogeneous soils and sediments. Specifically, the speciation of trace metals at low bulk concentrations and the nature of host minerals can be probed with a level of detail unattainable by other techniques. The potential of this novel analytical approach is demonstrated by determining the Zn species in the solid phases of a pristine horizon of a clayey acidic soil (pH 4.5-5.0) having a Zn concentration of 128 mg/kg. The sample presents a differentiated fabric under the optical microscope with traces of localized manganiferous, ferriferous and argillaceous accumulations. The high chemical and textural heterogeneity of this soil offers an opportunity to identify new Zn species and to confirm the existence of others proposed from published least-squares fits of bulk averaged EXAFS spectra. As many as five to six Zn species were observed: sphalerite (ZnS), zincochromite (ZnCr 2O 4), Zn-containing phyllosilicate and lithiophorite, and Zn-sorbed ferrihydrite or Zn-phosphate, the results being less definitive for these two last species. Bulk EXAFS spectroscopy applied to the powdered soil indicated that Zn is predominantly associated with phyllosilicates, all other species amounting to < ˜10 to 20% of total zinc. The role of lithiophorite in the sequestration of zinc in soils had been inferred previously, but the firm identification of lithiophorite in this study serves as an excellent demonstration of the capabilities of combined micro-SXRF/XRD/EXAFS measurements. The micro-EXAFS spectrum collected in an area containing only phyllosilicates could not be simulated assuming a single Zn structural environment. Two distinct octahedrally-coordinated crystallographic sites (i.e., two EXAFS components) were considered: one site located within the phyllosilicate structure (isomorphic

  16. Photodynamic cancer therapy: fluorescence localization and light absorption spectra of chlorophyll-derived photosensitizers inside cancer cells

    NASA Astrophysics Data System (ADS)

    Moser, Joerg G.; Rueck, Angelika C.; Schwarzmaier, Hans-Joachim; Westphal-Frosch, Christel

    1992-07-01

    The first prerequisite for an optimum effect of photodynamic therapy with chlorophyll- derived photosensitizers is irradiation at the S1 absorption maximum in the red spectral region. This absorption maximum changes its position due to molecular association by 20 to 100 nm depending on the subcellular environment, and must be determined by direct absorption spectrometry in the region of subcellular sensitizer localization. Fluorescence- intensifying video microscopy allows for localization of the sensitizer storage site at or near the Galgi apparatus of OAT 75 small-cell lung carcinoma cells. The absorption maximum at 760 nm taken from spectra of single cells and cell layers determines the postulated optimum condition for dye laser irradiation with bacteriopheophorbide-a-methyl-ester as the sensitizer.

  17. 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.

  18. Saturable absorption and two-photon absorption of 1,2,5-thiadiazolo[3,4-g]quinoxaline based derivatives with near-infrared fluorescence

    NASA Astrophysics Data System (ADS)

    Du, Yabing; Lin, Xiaodong; Jia, Tingjian; Dong, Jun

    2015-03-01

    Organic molecules with near-infrared (NIR) fluorescence are extremely interesting for the applications in nonlinear optical devices and bioimaging. However, such kind of materials have been relatively rarely studied. In this work, the nonlinear optical properties of 1,2,5-thiadiazolo[3,4-g]quinoxaline based derivatives with NIR fluorescence emission have been investigated for the first time. Under the excitation of femtosecond pulses at 532 nm, the chromophore with dithienyl as donor (TQ2) presents saturable absorption (SA) behavior, while no SA has been observed in the derivative with biphenyl (TQ1) as donor. Moreover, TQ2 exhibits much larger two-photon absorption (TPA) cross-sections with strong NIR fluorescence in the second biological window. The larger nonlinear optical properties of TQ2 is due to the introduction of stronger electron-donating group (dithienyl) and the resultant enhanced intramolecular charge transfer properties. At the end, TPA based optical limiting behaviors of the molecules are demonstrated in THF solutions, thanks to their large solubility and strong TPA.

  19. Reconstruction of the Primary Energy Spectrum from Fluorescence Telescope Data of the Pierre Auger Observatory

    NASA Astrophysics Data System (ADS)

    Geenen, H.

    2007-07-01

    The Pierre Auger Observatory is the largest extensive air-shower (EAS) experiment in operation. It is still being constructed, and the final configuration will have detectors at the two sites Argentina and USA observing both celestial hemispheres. The aim of the experiment is to determine the energy, composition and origin of ultra-high energy cosmic-rays (UHECR) using two complementary detection techniques. The detector at the southern site presently contains more than 1400 (Jul. 2007) water-Cherenkov detectors at ground level (870 gcm^-2). Completion of the 3000 km^2 large detector array is expected by the end of 2007 with finally more than 1600 tanks. The atmosphere above the site is observed by 24 fluorescence telescopes located in four buildings at the boundary of the array. During clear moon-less nights, this configuration permits hybrid measurement of both longitudinal development of an EAS and lateral particle density at ground. All fluorescence telescopes are fully operational since February 2007. The aim of this work is to reconstruct the cosmic ray energy spectrum between a few 10^17 eV up to 10^20 eV. This would provide an overlap to spectral results from other experiments at lower energies. The hybrid detection provides an accurate geometry determination and thereby a good energy resolution. However, the energy threshold is limited to the threshold of the surface array: larger than a few 10^18 eV. The advantage of FD-monocular events (FD-mono) is a lower energy threshold in the aimed 10^17 eV regime. In addition, the present FD-mono exposure is about 1.5 times larger than the hybrid one. However, the energy resolution of FD-mono events is worse compared to hybrid, and the detector acceptance is strongly energy dependent. Therefore, the determination of the energy spectrum requires an unfolding procedure, which considers both the limited acceptance and the limited resolution. In this analysis the FD-mono data are reconstructed. The reconstruction

  20. Vibronic and Rydberg series assignments in the vacuum ultraviolet absorption spectrum of nitrous oxide

    NASA Astrophysics Data System (ADS)

    Shastri, Aparna; Singh, Param Jeet; Krishnakumar, Sunanda; Mandal, Anuvab; Raja Sekhar, B. N.; D'Souza, R.; Jagatap, B. N.

    2014-11-01

    We report a comprehensive photoabsorption study of nitrous oxide (N2O) in the vacuum ultraviolet (45,000-95,000 cm-1) region using synchrotron radiation. The observed spectrum comprises of a few valence transitions and low lying Rydberg series converging to the two spin-orbit components (2П1/2,3/2) of the ground state of N2O+. Spectral analysis is aided by extensive quantum chemical calculations of vertical excited states, oscillator strengths and potential energy curves using the time dependent density functional theory. Vibronic bands observed in the first absorption system (45,000-60,000 cm-1) are assigned to hot band progressions in υ2‧ originating from v″=1 or 2. New insights into the assignment of the well-formed progression of bands in the X1Σ+→C1П system (60,000-72,000 cm-1) are afforded by consideration of the Renner-Teller interaction. A set of molecular vibrational parameters (ω2=467 cm-1, x22=-2.9, ε=-0.24) for the C1П state are derived from a fitting of the experimental data. The 3pπ1Σ+ state at ~77,600 cm-1 shows a large quantum defect (0.96) which is explained as arising due to mixed valence-Rydberg character. In the 85,000-95,000 cm-1 region, a number of absorption features are observed with greater clarity than in earlier photoabsorption studies and assigned to Rydberg series of type nlλ (n=3,4; l=s,p,d; λ=σ,π,δ) and accompanying vibronic bands. This work has resulted in clarification of several discrepancies in earlier Rydberg series assignments. Additionally, the 3pπ 3Σ- Rydberg state at 85,788 cm-1, the valence transition 7σ→3π (1П) at 87,433 cm-1 and the 3dλ Rydberg series in the 91,700-92,600 cm-1 region are assigned for the first time.

  1. Photochemistry on surfaces: Fluorescence emission of monomers and dimers and triplet state absorption of acridine orange adsorbed on microcrystalline cellulose

    NASA Astrophysics Data System (ADS)

    Wilkinson, F.; Worrall, D. R.; Ferreira, L. F. Vieira

    1992-02-01

    Prompt fluorescence as well as delayed fluorescence emission of acridine orange was detected at room temperature from samples where this dye is adsorbed on microcrystalline cellulose. Ground state absorption studies provided evidence for dimer formation of the dye when adsorbed on cellulose, and the equilibrium constant for dimerisation was determined as 1.6±0.1 × 10 6mol -1g. At low loadings of acridine orange on cellulose (<1 μmol g -1) the fluorescence emission is mainly due to the monomer and is similar to that observed in ethanolic solutions where little aggregation occurs, and peaks at 530 nm. A linear dependence of the fluorescence intensity on the amount of light absorbed by the dye was established for these "diluted" samples. However, at higher loadings (>20 μmol g -1), the fluorescence intensity decreases, and the emission is broad with its maximum at 620 nm, and is mainly due to the dimer. By assuming that the excited monomer and dimer of acridine orange are the only emitting species, it was possible to determine the fluorescence quantum yields for these two species when adsorbed on microcrystalline cellulose as 0.95±0.05 and 0.40±0.10, respectively. Pulsed emission studies at room temperature in the millisecond time-range also revealed monomer and dimer emissions on this longer time-scale. These are shown to be due to thermally activated delayed fluorescence arising from the triplet states of monomer and dimer acridine orange as confirmed by diffuse reflectance transient absorption studies.

  2. High-speed laser-induced fluorescence and spark plug absorption sensor diagnostics for mixing and combustion studies in engines.

    PubMed

    Cundy, Michael; Schucht, Torsten; Thiele, Olaf; Sick, Volker

    2009-02-01

    Simultaneous high-speed in-cylinder measurements of laser-induced fluorescence of biacetyl as a fuel tracer and mid-infrared broadband absorption of fuel and combustion products (water and carbon dioxide) using a spark plug probe are compared in an optical engine. The study addresses uncertainties and the applicability of absorption measurements at a location slightly offset to the spark plug when information about mixing at the spark plug is desired. Absorbance profiles reflect important engine operation events, such as valve opening and closing, mixing, combustion, and outgassing from crevices. PMID:19183588

  3. Interpretation of the optical absorption spectrum of Co3O4 with normal spinel structure from first principles calculations

    NASA Astrophysics Data System (ADS)

    Lima, A. F.

    2014-01-01

    First principles calculations based on density functional theory have been employed to study the electronic, magnetic and optical properties of Co3O4 in a cubic normal spinel structure. Exchange and correlation effects between electrons were treated by a B3PW91 hybrid functional, which produced better results than others scheme, such as GGA+U or PBE0 hybrid functionals or mBJ semilocal potential. The work focuses on clarifying the nature of the optical absorption bands, which have motivated various theoretical and experimental works in the literature. The calculated optical absorption spectrum was compared with available experimental data. On the basis of this calculated electronic and magnetic structure, the optical absorption peaks (theoretical and experimental) could be satisfactorily explained in terms of d3d charge transfer transitions between both CO2+→CO2+ and CO3+→CO3+ ions. The calculations also predicted that the crystal field splittings at both octahedral and tetrahedral sites in the Co3O4 compound are of the same magnitude. First principles calculations were used to predict optical properties of Co3O4. Exchange-correlation electronic effects were treated by a B3PW91 hybrid functional. Calculated optical absorption spectrum was compared with experimental data. Optical absorption peaks could be satisfactorily explained.

  4. Absorption and fluorescence characteristics of rainwater CDOM and contribution to Lake Taihu, China

    NASA Astrophysics Data System (ADS)

    Zhang, Yunlin; Gao, Guang; Shi, Kun; Niu, Cheng; Zhou, Yongqiang; Qin, Boqiang; Liu, Xiaohan

    2014-12-01

    We characterized the composition and sources of chromophoric dissolved organic matter (CDOM) in rainwater, and assessed the relative contribution of rainwater CDOM to lake water in Lake Taihu based on rainwater collected during 35 rainfall events in 2012. Chemical analysis, ultraviolet-visible absorbance, and three-dimensional fluorescence spectroscopy were used to characterize CDOM. The CDOM absorption coefficient at 254 nm (a254) had a significant seasonal variation, with a mean of 3.67 ± 1.69 m-1 in the wet season (from April to early August), which was significantly lower than the means in the two dry seasons (8.26 ± 2.94 m-1 from January to March, and 7.60 ± 3.80 m-1 from late August to December). The mean humification index and the mean index of recent autochthonous contribution were 0.74 ± 0.48 and 1.31 ± 0.35, respectively, indicating that rainwater CDOM was dominated by an atmospheric microbial origin component. We identified four fluorescence components using parallel factor analysis modeling in the rainwater CDOM, i.e., two protein-like components (C1 and C2) and two fulvic-like components (C3 and C4), which had characteristics similar to those of protein and humic-like substances, respectively. The a254 was significantly and positively (p < 0.001) correlated with each of the five nutrient parameters: total dissolved nitrogen (r2 = 0.76), ammonium (r2 = 0.65), nitrate (r2 = 0.36), total dissolved phosphorus (r2 = 0.55), and phosphate (r2 = 0.50) showing the tightly coupling between CDOM and nutrients. Based on the deposition of the rainwater CDOM and the storage of the CDOM in Lake Taihu, the annual relative contribution of rainwater CDOM to the lake water was 11.7% in 2012. The results showed the important effect of wet deposition on CDOM sources in Lake Taihu, which is located in a region with severe air pollution in the Yangtze River Delta.

  5. Vibrationally Resolved Absorption and Fluorescence Spectra of Firefly Luciferin: A Theoretical Simulation in the Gas Phase and in Solution.

    PubMed

    Cheng, Yuan-Yuan; Liu, Ya-Jun

    2016-07-01

    Firefly bioluminescence has been applied in several fields. However, the absorption and fluorescence spectra of the substrate, luciferin, have not been observed at the vibrational level. In this study, the vibrationally resolved absorption and fluorescence spectra of firefly luciferin (neutral form LH2 , phenolate ion form LH(-) and dianion form L(2-) ) are simulated using the density functional method and convoluted by a Gaussian function, with displacement, distortion and Duschinsky effects in the framework of the Franck-Condon approximation. Both neutral and anionic forms of the luciferin are considered in the gas phase and in solution. The simulated spectra have desired band maxima with the experimental ones. The vibronic structure analysis reveals that the features of the most contributive vibrational modes coincide with the key geometry-changing region during transition between the ground state and the first singlet excited state. PMID:27165852

  6. Americium characterization by X-ray fluorescence and absorption spectroscopy in plutonium uranium mixed oxide

    SciTech Connect

    Degueldre, Claude Cozzo, Cedric; Martin, Matthias; Grolimund, Daniel; Mieszczynski, Cyprian

    2013-06-01

    Plutonium uranium mixed oxide (MOX) fuels are currently used in nuclear reactors. The actinides in these fuels need to be analyzed after irradiation for assessing their behaviour with regard to their environment and the coolant. In this work the study of the atomic structure and next-neighbour environment of Am in the (Pu,U)O₂ lattice in an irradiated (60 MW d kg⁻¹) MOX sample was performed employing micro-X-ray fluorescence (µ-XRF) and micro-X-ray absorption fine structure (µ-XAFS) spectroscopy. The chemical bonds, valences and stoichiometry of Am (~0.66 wt%) are determined from the experimental data gained for the irradiated fuel material examined in its peripheral zone (rim) of the fuel. In the irradiated sample Am builds up as Am³⁺ species within an [AmO₈]¹³⁻ coordination environment (e.g. >90%) and no (<10%) Am(IV) or (V) can be detected in the rim zone. The occurrence of americium dioxide is avoided by the redox buffering activity of the uranium dioxide matrix. - Graphical abstract: Americium LIII XAFS spectra recorded for the irradiated MOX sub-sample in the rim zone for a 300 μm×300 μm beam size area investigated over six scans of 4 h. The records remain constant during multi-scan. The analysis of the XAFS signal shows that Am is found as trivalent in the UO₂ matrix. This analytical work shall open the door of very challenging analysis (speciation of fission product and actinides) in irradiated nuclear fuels. - Highlights: • Americium was characterized by microX-ray absorption spectroscopy in irradiated MOX fuel. • The americium redox state as determined from XAS data of irradiated fuel material was Am(III). • In the sample, the Am³⁺ face an AmO₈¹³⁻coordination environment in the (Pu,U)O₂ matrix. • The americium dioxide is reduced by the uranium dioxide matrix.

  7. [X-ray fluorescence spectrum studies on bioorganic carbon in cereals and carbon chemical circulation].

    PubMed

    Duan, De-liang; Bian, Fu-yong; Yuan, Bo; Wang, Shu; Ge, Mao-fa; Zhang, Xing-kang; Xu, Si-chuan

    2011-05-01

    The bioorganic carbon contents and chemical element compositions in six kinds of cereals: paddy (rice), wheat (flour), soybean, millet, sorghum and corn were determined by X-ray fluorescence (XRF) spectrum, meanwhile a new method was established to probe their protein contents. In the cereals, the average bioorganic carbon content is about 440%. The highest protein content is 42.74% from soybean, and other protein content is 28.56% in millet, 27.57% in wheat, 24.99% in corn, 22.21% in sorghum, but only 20.31% in rice. Based on our new definition of carbon chemical circulation presented in the current work, the authors have found that in 2009 humankind used bioorganic carbon to discharge CO2 into the earth's atmosphere that accounts for one percent of the total CO2 discharge, and consumed organic carbon to release CO2 into the earth's atmosphere, accounting for 10.73% of the total CO2 discharge. The clear definition of carbon chemical circulation and the discharged CO2 content from the distinct types of carbon compounds would advance the study on carbon chemical circulation and the atmospheric CO2 greenhouse effect. Our work further found that it takes eight years to circulate the total earth's atmospheric CO2. The short period shows the sensitivity for CO2 to keep its dynamical equilibrium in the earth's atmosphere. However, no experimental data has been reported to prove a heavy destructive greenhouse effect of CO2 existing in the earth's atmosphere. PMID:21800615

  8. Excitation energy dependence of excited states dynamics in all- trans-carotenes determined by femtosecond absorption and fluorescence spectroscopy

    NASA Astrophysics Data System (ADS)

    Kosumi, Daisuke; Yanagi, Kazuhiro; Nishio, Tomohiro; Hashimoto, Hideki; Yoshizawa, Masayuki

    2005-06-01

    Ultrafast relaxation kinetics in β-carotene and lycopene has been investigated by femtosecond absorption and fluorescence spectroscopies using tunable excitation pulses. The transient signals induced by the photoexcitation with larger excess energy have broader bands and longer lifetimes both in the 11Bu+and21Ag- excited states. The excess vibrational energy remains longer than several picoseconds and slows the relaxation kinetics in carotenoids.

  9. Laser line illumination scheme allowing the reduction of background signal and the correction of absorption heterogeneities effects for fluorescence reflectance imaging.

    PubMed

    Fantoni, Frédéric; Hervé, Lionel; Poher, Vincent; Gioux, Sylvain; Mars, Jérôme I; Dinten, Jean-Marc

    2015-10-01

    Intraoperative fluorescence imaging in reflectance geometry is an attractive imaging modality as it allows to noninvasively monitor the fluorescence targeted tumors located below the tissue surface. Some drawbacks of this technique are the background fluorescence decreasing the contrast and absorption heterogeneities leading to misinterpretations concerning fluorescence concentrations. We propose a correction technique based on a laser line scanning illumination scheme. We scan the medium with the laser line and acquire, at each position of the line, both fluorescence and excitation images. We then use the finding that there is a relationship between the excitation intensity profile and the background fluorescence one to predict the amount of signal to subtract from the fluorescence images to get a better contrast. As the light absorption information is contained both in fluorescence and excitation images, this method also permits us to correct the effects of absorption heterogeneities. This technique has been validated on simulations and experimentally. Fluorescent inclusions are observed in several configurations at depths ranging from 1 mm to 1 cm. Results obtained with this technique are compared with those obtained with a classical wide-field detection scheme for contrast enhancement and with the fluorescence by an excitation ratio approach for absorption correction. PMID:26442963

  10. Two photon absorption laser induced fluorescence measurements of neutral density in a helicon plasma

    SciTech Connect

    Galante, M. E.; Magee, R. M.; Scime, E. E.

    2014-05-15

    We have developed a new diagnostic based on two-photon absorption laser induced fluorescence (TALIF). We use a high intensity (5 MW/cm{sup 2}), narrow bandwidth (0.1 cm{sup −1}) laser to probe the ground state of neutral hydrogen, deuterium and krypton with spatial resolution better than 0.2 cm, a time resolution of 10 ns, and a measurement cadence of 20 Hz. Here, we describe proof-of-principle measurements in a helicon plasma source that demonstrate the TALIF diagnostic is capable of measuring neutral densities spanning four orders of magnitude; comparable to the edge neutral gradients predicted in the DIII-D tokamak pedestal. The measurements are performed in hydrogen and deuterium plasmas and absolute calibration is accomplished through TALIF measurements in neutral krypton. The optical configuration employed is confocal, i.e., both light injection and collection are accomplished with a single lens through a single optical port in the vacuum vessel. The wavelength resolution of the diagnostic is sufficient to separate hydrogen and deuterium spectra and we present measurements from mixed hydrogen and deuterium plasmas that demonstrate isotopic abundance measurements are feasible. Time resolved measurements also allow us to explore the evolution of the neutral hydrogen density and temperature and effects of wall recycling. We find that the atomic neutral density grows rapidly at the initiation of the discharge, reaching the steady-state value within 1 ms. Additionally, we find that neutral hydrogen atoms are born with 0.08 eV temperatures, not 2 eV as is typically assumed.

  11. Study on the interaction between fluoroquinolones and erythrosine by absorption, fluorescence and resonance Rayleigh scattering spectra and their application

    NASA Astrophysics Data System (ADS)

    Wang, Jian; Liu, Zhongfang; Liu, Jiangtao; Liu, Shaopu; Shen, Wei

    2008-03-01

    In pH 4.4-4.5 Britton-Robinson (BR) buffer solution, fluoroquinolone antibiotics (FLQs) including ciprofloxacin (CIP), norfloxacin (NOR), levofloxacin (LEV) and lomefloxacin (LOM) could react with erythrosine (Ery) to form 1:1 ion-association complexes, which not only resulted in the changes of the absorption spectra and the quenching of fluorescence, but also resulted in the great enhancement of resonance Rayleigh scattering (RRS). These offered some indications of the determination of fluoroquinolone antibiotics by spectrophotometric, fluorescence and resonance Rayleigh scattering methods. The detection limits for fluoroquinolone antibiotics were in the range of 0.097-0.265 μg/mL for absorption methods, 0.022-0.100 μg/mL for fluorophotometry and 0.014-0.027 μg/mL for RRS method, respectively. Among them, the RRS method had the highest sensitivity. In this work, the spectral characteristics of the absorption, fluorescence and RRS, the optimum conditions of the reactions and the properties of the analytical chemistry were investigated. The methods have been successfully applied to determination of some fluoroquinolone antibiotics in human urine samples and tablets. Taking CIP-Ery system as an example, the charge distribution, the enthalpy of formation and the mean polarizability were calculated by density function theory (DFT) method. In addition, the reasons for the enhancement of scattering spectra were discussed.

  12. 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. PMID:27214754

  13. Effects of annealing treatment and gamma irradiation on the absorption and fluorescence spectra of Cr:GSGG laser crystal

    NASA Astrophysics Data System (ADS)

    Sun, D. L.; Luo, J. Q.; Xiao, J. Z.; Zhang, Q. L.; Jiang, H. H.; Yin, S. T.; Wang, Y. F.; Ge, X. W.

    2008-09-01

    The influence of annealing treatments and gamma-ray irradiation on the absorption and fluorescence spectra of Cr:GSGG crystals grown by the Czochralski method has been investigated. Two absorption bands located near 686 nm and 1050 nm were weakened markedly after the crystal was re-annealed in H2 atmosphere, which is due to the Cr4+ ions being de-oxidized into Cr3+ ions. The other two weak additional absorption bands induced by gamma-ray irradiation appearing near 310 nm and 480 nm are ascribed to the Fe2+ ions and F-type color centers, respectively. In particular, the gamma-ray irradiation with a dose of 100 Mrad has an effect of improving slightly the luminescence properties of Cr:GSGG crystals. The improvement mechanism is analyzed and discussed.

  14. Trifluoro methyl peroxynitrate (CF 3OONO 2): Temperature dependence of the UV absorption spectrum and atmospheric implications

    NASA Astrophysics Data System (ADS)

    Malanca, Fabio E.; Chiappero, Malisa S.; Argüello, Gustavo A.; Wallington, Timothy J.

    The ultraviolet absorption spectrum of gas phase CF 3OONO 2 has been measured over the wavelength range 200-340 nm at 233-300 K. Absorption cross-sections at wavelengths of 290-340 nm were found to increase significantly with increasing temperature. The UV spectra of CF 3C(O)Cl and CF 3C(O)F were measured and were consistent with previous work [Rattigan et al., 1993. Temperature-dependent absorption cross-sections of CF 3COCl, CF 3COF, CH 3COF, CCl 3CHO and CF 3COOH. Journal of Photochemistry and Photobiology A: Chemistry 73, 1-9]. Implications for the atmospheric chemistry of CF 3OONO 2 are discussed.

  15. 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. PMID:27607297

  16. 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.

  17. 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

  18. New Homogeneous Standards by Atomic Layer Deposition for Synchrotron X-ray Fluorescence and Absorption Spectroscopies.

    SciTech Connect

    Butterworth, A.L.; Becker, N.; Gainsforth, Z.; Lanzirotti, A.; Newville, M.; Proslier, T.; Stodolna, J.; Sutton, S.; Tyliszczak, T.; Westphal, A.J.; Zasadzinski, J.

    2012-03-13

    Quantification of synchrotron XRF analyses is typically done through comparisons with measurements on the NIST SRM 1832/1833 thin film standards. Unfortunately, these standards are inhomogeneous on small scales at the tens of percent level. We are synthesizing new homogeneous multilayer standards using the Atomic Layer Deposition technique and characterizing them using multiple analytical methods, including ellipsometry, Rutherford Back Scattering at Evans Analytical, Synchrotron X-ray Fluorescence (SXRF) at Advanced Photon Source (APS) Beamline 13-ID, Synchrotron X-ray Absorption Spectroscopy (XAS) at Advanced Light Source (ALS) Beamlines 11.0.2 and 5.3.2.1 and by electron microscopy techniques. Our motivation for developing much-needed cross-calibration of synchrotron techniques is borne from coordinated analyses of particles captured in the aerogel of the NASA Stardust Interstellar Dust Collector (SIDC). The Stardust Interstellar Dust Preliminary Examination (ISPE) team have characterized three sub-nanogram, {approx}1{micro}m-sized fragments considered as candidates to be the first contemporary interstellar dust ever collected, based on their chemistries and trajectories. The candidates were analyzed in small wedges of aerogel in which they were extracted from the larger collector, using high sensitivity, high spatial resolution >3 keV synchrotron x-ray fluorescence spectroscopy (SXRF) and <2 keV synchrotron x-ray transmission microscopy (STXM) during Stardust ISPE. The ISPE synchrotron techniques have complementary capabilities. Hard X-ray SXRF is sensitive to sub-fg mass of elements Z {ge} 20 (calcium) and has a spatial resolution as low as 90nm. X-ray Diffraction data were collected simultaneously with SXRF data. Soft X-ray STXM at ALS beamline 11.0.2 can detect fg-mass of most elements, including cosmochemically important oxygen, magnesium, aluminum and silicon, which are invisible to SXRF in this application. ALS beamline 11.0.2 has spatial resolution

  19. Terahertz absorption spectrum of para and ortho water vapors at different humidities at room temperature

    NASA Astrophysics Data System (ADS)

    Xin, X.; Altan, H.; Saint, A.; Matten, D.; Alfano, R. R.

    2006-11-01

    Terahertz time-domain spectroscopy has been used to measure the absorption of water vapor in 0.2-2.4THz range from low to high humidity at room temperature. The observed absorption lines are due to the water molecular rotations in the ground vibrational state. We find that the absorption strength of para transitions increases as humidity increases, while the absorption strength of ortho transitions increases and then decreases in intensity with increasing humidity. We explain this difference based on the nuclear spin statistics based ratio of ortho to para water monomer populations at room temperature. The preferential adsorption on the solid surfaces of para water leads to an ortho dominated vapor cloud whose monomer rotational absorption intensity decreases due to the effects of dimerization, molecular collisions, clustering, and interactions with liquid droplets at high concentrations.

  20. Iron speciation in human cancer cells by K-edge total reflection X-ray fluorescence-X-ray absorption near edge structure analysis

    NASA Astrophysics Data System (ADS)

    Polgári, Zs.; Meirer, F.; Sasamori, S.; Ingerle, D.; Pepponi, G.; Streli, C.; Rickers, K.; Réti, A.; Budai, B.; Szoboszlai, N.; Záray, G.

    2011-03-01

    X-ray absorption near edge structure (XANES) analysis in combination with synchrotron radiation induced total reflection X-ray fluorescence (SR-TXRF) acquisition was used to determine the oxidation state of Fe in human cancer cells and simultaneously their elemental composition by applying a simple sample preparation procedure consisting of pipetting the cell suspension onto the quartz reflectors. XANES spectra of several inorganic and organic iron compounds were recorded and compared to that of different cell lines. The XANES spectra of cells, independently from the phase of cell growth and cell type were very similar to that of ferritin, the main Fe store within the cell. The spectra obtained after CoCl 2 or NiCl 2 treatment, which could mimic a hypoxic state of cells, did not differ noticeably from that of the ferritin standard. After 5-fluorouracil administration, which could also induce an oxidative-stress in cells, the absorption edge position was shifted toward higher energies representing a higher oxidation state of Fe. Intense treatment with antimycin A, which inhibits electron transfer in the respiratory chain, resulted in minor changes in the spectrum, resembling rather the N-donor Fe-α,α'-dipyridyl complex at the oxidation energy of Fe(III), than ferritin. The incorporation of Co and Ni in the cells was followed by SR-TXRF measurements.

  1. Cl{sub 2}O photochemistry: Ultraviolet/vis absorption spectrum temperature dependence and O({sup 3}P) quantum yield at 193 and 248 nm

    SciTech Connect

    Papanastasiou, Dimitrios K.; Feierabend, Karl J.; Burkholder, James B.

    2011-05-28

    The photochemistry of Cl{sub 2}O (dichlorine monoxide) was studied using measurements of its UV/vis absorption spectrum temperature dependence and the O({sup 3}P) atom quantum yield, {Phi}{sub Cl{sub 2}O}{sup O}({lambda}), in its photolysis at 193 and 248 nm. The Cl{sub 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{sub 2}O absorption cross sections, {sigma}{sub Cl{sub 2}O}({lambda},T), at temperatures <296 K were determined relative to its well established room temperature values. A wavelength and temperature dependent parameterization of the Cl{sub 2}O spectrum using the sum of six Gaussian functions, which empirically represent transitions from the ground {sup 1}A{sub 1} electronic state to excited states, is presented. The Gaussian functions are found to correlate well with published theoretically calculated vertical excitation energies. O({sup 3}P) quantum yields in the photolysis of Cl{sub 2}O at 193 and 248 nm were measured using pulsed laser photolysis combined with atomic resonance fluorescence detection of O({sup 3}P) atoms. O({sup 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{sub 2}). The quoted uncertainties are at the 2{sigma} (95% confidence) level and include estimated systematic errors. ClO radical temporal profiles obtained following the photolysis of Cl{sub 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{sub 2} photodissociation channel, which indicates that O({sup 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

  2. Quenched carbonaceous composite - Fluorescence spectrum compared to the extended red emission observed in reflection nebulae

    NASA Technical Reports Server (NTRS)

    Sakata, Akira; Wada, Setsuko; Narisawa, Takatoshi; Asano, Yoichi; Iijima, Yutaka; Onaka, Takashi; Tokunaga, Alan T.

    1992-01-01

    The photoluminescence (fluorescence) of a film of the laboratory-synthesized quenched carbonaceous composite (filmy QCC) is shown to have a single broad emission feature with a peak wavelength that varies from 670 to 725 nm, and coincides with that of the extended red emission observed in reflection nebulae. The rapid decay of the filmy QCC red fluorescence in air and of the stable blue fluorescence of the filmy QCC dissolved in liquid Freon suggests that the red fluorescence originates from the interaction of active chemical species and aromatic components in the filmy QCC. A material similar in nature to that of the filmy QCC may be a major component of interstellar dust.

  3. Direct determination of fluorescent whitening agents by absorption measurement in situ on thin layer chromatograms.

    PubMed

    Theidel, H

    1975-01-01

    The measuring technique for the chromatogram spectrophotometer (Zeiss) to determine the reflectance curves, the analysis according to the Kubelka-Munck function, and the basic outlines of the quantitative determination of stilbene fluorescent whitening agents (FWAs) are explained. PMID:1064527

  4. Spectroscopy in an extremely thin vapor cell: Comparing the cell-length dependence in fluorescence and in absorption techniques

    NASA Astrophysics Data System (ADS)

    Sarkisyan, D.; Varzhapetyan, T.; Sarkisyan, A.; Malakyan, Yu.; Papoyan, A.; Lezama, A.; Bloch, D.; Ducloy, M.

    2004-06-01

    We compare the behavior of absorption and of resonance fluorescence spectra in an extremely thin Rb vapor cell as a function of the ratio of L/λ , with L the cell thickness (L˜150 1800 nm) and λ the wavelength of the Rb D2 line (λ=780 mn) . The Dicke-type coherent narrowing [

    G. Dutier et al., Europhys. Lett. 63, 35 (2003)
    ] is observed only in transmission measurements, in the linear regime, with its typical collapse and revival, which reaches a maximum for L= (2n+1) λ/2 ( n integer). It is shown not to appear in fluorescence, whose behavior-amplitude, and spectral width, is more monotonic with L . Conversely, at high-intensity, the sub-Doppler saturation effects are shown to be the most visible in transmission around L=nλ .

  5. Chromatography, Absorption, and Fluorescence: A New Instrumental Analysis Experiment on the Measurement of Polycyclic Aromatic Hydrocarbons in Cigarette Smoke

    NASA Astrophysics Data System (ADS)

    Wingen, Lisa M.; Low, Jason C.; Finlayson-Pitts, Barbara J.

    1998-12-01

    The recent approval by the American Chemical Society of an undergraduate chemistry degree with an option in environmental chemistry requires the development of new experiments that teach fundamental chemistry in the context of environmental issues. We present an experiment suitable for an undergraduate junior/senior-level instrumental analysis laboratory which illustrates the principles of high-performance liquid chromatography (HPLC) and its application to the identification and measurement of polycyclic aromatic hydrocarbons (PAH) in tobacco smoke. Absorption and fluorescence detection methods for PAH, especially the differences in sensitivity and selectivity of these methods, are clearly demonstrated along with the basic principles of HPLC.

  6. Two-Photon Absorption and Fluorescence with Quadrupolar and Branched CHROMOPHORES—EFFECT of Structure and Branching

    NASA Astrophysics Data System (ADS)

    Porrès, Laurent; Mongin, Olivier; Katan, Claudine; Charlot, Marina; Bhatthula, Bharath Kumar Goud; Jouikov, Viatcheslav; Pons, Thomas; Mertz, Jerome; Blanchard-Desce, Mireille

    The photophysical and two-photon absorption (TPA) properties of three homologous quadrupolar and one related three-branched chromophores were investigated. Design of the quadrupoles is based on the symmetrical functionalization of a biphenyl core. Modulation of the nonlinear absorptivity/transparency/photostability trade-off can be achieved by playing with the twist angle of the core and on the spacers (phenylene-vinylene versus phenylene-ethynylene). The quadrupolar chromophores combine high TPA cross-sections, high fluorescence quantum yield and solvent sensitive photoluminescence properties. The branched structure exhibits spectrally broadened TPA in the NIR region (up to 3660 GM at 740 nm measured in the femtosecond regime) but reduced sensitivity to the environment.

  7. 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.

  8. Quantum Monte Carlo for the x-ray absorption spectrum of pyrrole at the nitrogen K-edge

    SciTech Connect

    Zubarev, Dmitry Yu.; Austin, Brian M.; Lester, William A. Jr.

    2012-04-14

    Fixed-node diffusion Monte Carlo (FNDMC) is used to simulate the x-ray absorption spectrum of a gas-phase pyrrole molecule at the nitrogen K-edge. Trial wave functions for core-excited states are constructed from ground-state Kohn-Sham determinants substituted with singly occupied natural orbitals from configuration interaction with single excitations calculations of the five lowest valence-excited triplet states. The FNDMC ionization potential (IP) is found to lie within 0.3 eV of the experimental value of 406.1 {+-} 0.1 eV. The transition energies to anti-bonding virtual orbitals match the experimental spectrum after alignment of IP values and agree with the existing assignments.

  9. Detection of the 1400 A absorption in the ultraviolet spectrum of the DA white dwarf LB 3303

    NASA Technical Reports Server (NTRS)

    Wegner, G.

    1982-01-01

    Low-resolution ultraviolet International Ultraviolet Explorer spectra of the southern white dwarf LB 3303 show the presence of the wavelength 1400 absorption feature reported by Greenstein in the spectrum of 40 Eri B. The equivalent width is 5.7 A, and the measured wavelength is 1394 A. A comparison of the ultraviolet fluxes with model atmospheres confirms that LB 3303 has an effective temperature near 16,000 K, as found earlier from visual wavelength data. There are still problems with the identification of this line. The star is not hot enough to explain the presence of Si IV, and the agreement with the spectrum of the H2 molecule is not convincing.

  10. Molecular modelling of the pH influence in the geometry and the absorbance spectrum of near-infrared TagRFP675 fluorescent protein.

    PubMed

    Randino, Carlos; Gelabert, Ricard; Moreno, Miquel; Lluch, José M; Piatkevich, Kiryl D

    2015-11-21

    Classical molecular dynamics (MD) simulations are carried out for the recently developed TagRFP675 fluorescent protein (FP), which is specifically designed to fully absorb and emit in the near infrared (NIR) region of the electromagnetic spectrum. Since the X-ray data of TagRFP675 reveal that the chromophore exists in both the cis and trans configuration and it can also be neutral (protonated) or anionic (deprotonated) depending on the pH of the media, a total of 8 molecular dynamic simulations have been run to simulate all the possible states of the chromophore. Time-dependent DFT (TDDFT) single point calculations are performed at selected points along the simulation to theoretically mimic the absorption spectrum of the protein. Our simulations compare well (within the expected error of the computational method) with the experimental results. Our theoretical procedure allows for an analysis of the molecular orbitals involved in the lowest energy electronic excitations of the chromophore and, more interestingly, for a full analysis of the H-bond interactions between the chromophore and its surrounding residues and solvent (water) molecules. This study does not support the hypothesis, exclusively based on the analysis of X-ray data, that the isomerization of nearby residues provokes the rearrangement of the hydrogen bonds in the chromophore's immediate environment leading to the observed red shift of the absorption bands at higher pHs. Instead, we attribute this shift mainly to the superposition of bands of the neutral and anionic chromophores that are expected to coexist at almost the full range of pHs experimentally analyzed. An additional factor that could contribute to this shift is the experimentally observed increase of the cis configuration of the chromophore at higher pHs. PMID:26473582

  11. 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. PMID:27610321

  12. H216O absorption spectrum between 22250 and 22800 cm-1: Fourier transform spectroscopy with bright light source

    NASA Astrophysics Data System (ADS)

    Serduykov, V. I.; Sinitsa, L. N.; Vasil'chenko, S. S.; Bykov, A. D.; Kruglova, T. V.; Polovtseva, E. R.; Scherbakov, A. P.

    2014-11-01

    Measurements of water vapor absorption spectra in the visible spectral region near 0.44 mkm are performed using FTspectrometer IFS-125M and Light-emitting diode (LED) as source of radiation. Water vapor spectrum has been obtained by averaging over 17136 scans recorded at 34,8 m optical path length, temperature 24 ± 1 C and pressure of sample 24,8 mBar. Due to strong emission of LED source it was possible to achieve signal-to-noise ratio about 104 and to record weak lines with intensities of 6 10-27 cm/molecule. Comparisons with results of early works are made.

  13. The exploration of the characteristics of the hyperglycemia serum fluorescence spectrum

    NASA Astrophysics Data System (ADS)

    Wang, Lexin; Zhao, Zhimin; Chen, Hui; Li, Peng; Xin, Yujun

    2008-12-01

    Now, spectra technology is widely used in the biomedicine research,so this study investigates variation of the fluorescence spectra in different excitation wavelength, and the spectra of serum with different glucose concentration is tested in the excitation wavelength of 240nm to 280nm. The experimental result shows that the correlation between the serum fluorescence intensity and the excitation light is very close, when the excitation light is in the ultraviolet wave band, the fluorescence of serum is intensive. There is a violent fluorescence emission wavelength, which is 300nm to 410nm, while the excitation wavelength ranges from 220nm to 290nm, and the peaks wavelength are 330nm and 370nm. From 240nm to 280nm, the serum fluorescence intensity increases synchronously with the glucose concentration, and the relationship between the fluorescence peak wavelength and the glucose concentration is almost in line. In this way the blood sugar concentration can be estimated by the fluorescence spectra peak wavelength when the excitation wavelength is from 240nm to 280nm, which is effective. It provides experimental foundation for the wide use of spectra technology in medical diagnose, and the effectiv method to test the blood sugar concentration.

  14. Absorption spectrum of the PbS-doped silica fibers fabricated by ALD and MCVD

    NASA Astrophysics Data System (ADS)

    Ye, Tang; Wen, Jianxiang; Dong, Yanhua; Wang, Tingyun

    2012-11-01

    The technique of atomic layer deposition (ALD) has been introduced to fabricate PbS-doped silica fibers, whose absorption peaks are discovered to be shifted from 1230 nm to 920 nm when the number of ALD deposition cycles varies from 80 to 30 during optical fiber preform fabrication. This is explained by suggesting that the PbS doped in fiber are under the 3D quantum confinement, i.e., quantum dots (QDs). An effective-mass approximat ion of the PbS QDs ' sizes is then made to show the shift of absorption peaks can be attributed to the change of size distribution of these dots.

  15. High energy resolution five-crystal spectrometer for high quality fluorescence and absorption measurements on an x-ray absorption spectroscopy beamline

    SciTech Connect

    Llorens, Isabelle; Lahera, Eric; Delnet, William; Proux, Olivier; Dermigny, Quentin; Gelebart, Frederic; Morand, Marc; Shukla, Abhay; Bardou, Nathalie; Ulrich, Olivier; and others

    2012-06-15

    Fluorescence detection is classically achieved with a solid state detector (SSD) on x-ray absorption spectroscopy (XAS) beamlines. This kind of detection however presents some limitations related to the limited energy resolution and saturation. Crystal analyzer spectrometers (CAS) based on a Johann-type geometry have been developed to overcome these limitations. We have tested and installed such a system on the BM30B/CRG-FAME XAS beamline at the ESRF dedicated to the structural investigation of very dilute systems in environmental, material and biological sciences. The spectrometer has been designed to be a mobile device for easy integration in multi-purpose hard x-ray synchrotron beamlines or even with a laboratory x-ray source. The CAS allows to collect x-ray photons from a large solid angle with five spherically bent crystals. It will cover a large energy range allowing to probe fluorescence lines characteristic of all the elements from Ca (Z = 20) to U (Z = 92). It provides an energy resolution of 1-2 eV. XAS spectroscopy is the main application of this device even if other spectroscopic techniques (RIXS, XES, XRS, etc.) can be also achieved with it. The performances of the CAS are illustrated by two experiments that are difficult or impossible to perform with SSD and the complementarity of the CAS vs SSD detectors is discussed.

  16. Fluorescence Spectrum and Decay Measurement for Hsil VS Normal Cytology Differentiation in Liquid Pap Smear Supernatant

    NASA Astrophysics Data System (ADS)

    Vaitkuviene, A.; Gegzna, V.; Juodkazis, S.; Jursenas, S.; Miasojedovas, S.; Kurtinaitiene, R.; Rimiene, J.; Vaitkus, J.

    2009-06-01

    Cervical smear material contains endo and exocervical cells, mucus and inflammative, immune cells in cases of pathology. Just not destroyed keratinocytes lay on the glass for microscopy. Liquid cytology supernatant apart other diagnostics could be used for photodiagnostic. The spectroscopic parameters suitable for Normal and HSIL cytology groups supernatant differentiation are demonstrated. The dried liquid PAP supernatant fractions—sediment and liquid were investigated. Excitation and emission matrices (EEM), supernatant fluorescence decay measured under 280 nm diode short pulse excitation and fluorescence spectroscopy by excitation with 355 nm laser light were analyzed. The differences between Normal and HSIL groups were statistically proven in the certain spectral regions. Fluorescence decay peculiarities show spectral regions consisting of few fluorophores. Obtained results on fluorescence differences in Normal and HSIL groups' supernatant shows the potency of photodiagnosis application in cervical screening.

  17. FUSE Detection of Galactic and Intrinsic Absorption in the Spectrum of the Seyfert 1 Galaxy 2MASX J21362313-6224008

    NASA Technical Reports Server (NTRS)

    Bonamente, Massimiliano; VanDykeDixon, W.

    2003-01-01

    We present the far-ultraviolet spectrum of the Seyfert 1 galaxy 2MASX 521362313-6224008 obtained with the Far Ultraviolet Spectroscopic Explorer (FUSE). The spectrum features absorption from Galactic O VI at two velocities and redshifted H I Lyman beta and gamma, C II, C III, and O VI. The redshifted absorption features represent a single kinematic component blueshifted by approx. 310 km/s relative to the AGN. We use photoionization models to derive the physical parameters of the absorbing gas. An alternative interpretation for the absorption lines is also proposed, whereby the absorbing gas is associated with an intervening galaxy cluster.

  18. FUSE Observations of Galactic and Intrinsic Absorption in the Spectrum of the Seyfert 1 Galaxy 2MASX J21362313-6224008

    NASA Technical Reports Server (NTRS)

    Bonamente, Massimiliano; Dixon, W. Van Dyke

    2004-01-01

    We present the far-ultraviolet spectrum of the Seyfert 1 galaxy 2MASX J21362313-6224008 obtained with the Far Ultraviolet Spectroscopic Explorer (FUSE). The spectrum features absorption from Galactic O VI at two velocities and redshifted H I Ly beta and gamma, C II, CIII, and O VI. The redshifted absorption features represent a single kinematic component blueshifted by approx. 310 km/s relative to the active galactic nucleus. We use photoionization models to derive constraints on the physical parameters of the absorbing gas. An alternative interpretation for the absorption lines is also proposed, wherein the absorbing gas is associated with an intervening galaxy cluster.

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

    NASA Astrophysics Data System (ADS)

    Grebenshchikov, Sergy Yu.

    2013-06-01

    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.

  20. One trinucleus dimethine cyanine dye: Experimental and theoretical studies on molecular structure as well as absorption and fluorescence properties

    NASA Astrophysics Data System (ADS)

    Zhang, D. D.; Wang, L. Y.; Su, J. J.; Zhang, X. F.; Lei, Y. B.; Zhai, G. H.; Wen, Z. Y.

    2013-05-01

    A kind of trinucleus dimethine cyanine dye: 1-methyl-2,6-bis[2-(furan-2-yl)vinyl]pyridinium iodide (1) was synthesized and characterized by 1H NMR, 13C NMR, IR, MS, UV-Vis spectroscopy and elemental analysis. The crystals of dye 1, obtained from slow evaporation of solvent acetone, crystallized in the triclinic space group P - 1 with a = 9.6501(16) Å, b = 10.2308(17) Å, c = 10.7341(17) Å, V = 887.2(3) Å3, and Z = 2 (at 298(2) K), and it was stabilized by the hydrogen bonds and intermolecular face-to-face π⋯π aromatic stacking interactions. Crystallographic, IR, 1H NMR and UV-Vis data of dye 1 were compared with the results of density functional theory (DFT) method, and the calculated molecular geometries, vibrational bands, 1H NMR chemical shifts and UV-Vis maximum absorption were consistent with the experimental results. The fluorescence spectra were predicted in four different solvents with CIS/PCM methods. Compared with experimental values, the absolute deviations of emission maxima were -17.4 nm in chloroform, 6.3 nm in DMSO, 4.9 nm in methanol, and 6.8 nm in water, respectively. And the experimental fluorescence spectra were nicely reproduced by the simulated fluorescence spectra for each solvent.

  1. Absorption spectrophotometric, fluorescence and theoretical investigations on supramolecular interaction of a designed bisporphyrin with C 60 and C 70

    NASA Astrophysics Data System (ADS)

    Pal, Debabrata; Bhattacharya, Sumanta

    2011-08-01

    The present article reports the spectroscopic and theoretical investigations on supramolecular interaction between fullerenes (C 60 and C 70) and a designed bisporphyrin, namely 1, in toluene. Job's method of continuous variation establishes 1:1 stoichiometry of the fullerene/ 1 complexes. Both absorption spectrophotometric and steady-state fluorescence studies reveal effective and selective interaction between fullerenes and 1 as average binding constants ( K) for the C 60/ 1 and C 70/ 1 complexes are enumerated to be 34,700 and 359,925 dm 3 mol -1, respectively. Large selectivity ratio in K, i.e., K/K, indicates that 1 acts as an effective molecular tweezers for C 70 in solution. Time-resolved fluorescence study evokes that the quenching of fluorescence of 1 by fullerenes is of static type in nature. Molecular mechanics calculations in vacuo determine the energies and single projection structures of the supramolecular systems, which provide very good support in favor of strong binding between C 70 and 1.

  2. Two-photon-absorption spectrum of poly(di- n -hexylsilane) films

    SciTech Connect

    Soos, Z.G. ); Kepler, R.G. )

    1991-05-15

    Two-photon-absorption (TPA) spectra of poly(di-{ital n}-hexylsilane) (PDHS) films are obtained from 605 to 410 nm at 295 and 11 K, where the intensity is an order of magnitude higher. A strong TPA band is found above 5 eV and interpreted in terms of interacting {sigma} electrons in a Pariser-Parr-Pople (PPP) model. PPP models for (Si){sub {ital n}} chains relate the excitonic (one-photon) absorption at {ital E}{sub {ital g}}=3.4 in PDHS to the 4.2-eV TPA at the alternation gap and the high-energy TPA derived from two-electron excitations at {ital E}{sub {ital g}}. The smaller alternation gap in {pi}-conjugated polymers and their intense TPA above {ital E}{sub {ital g}} also indicate correlated states and differ qualitatively from single-particle descriptions.

  3. Near-infrared spectrum of ZrF by intracavity laser absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Harms, Jack C.; O'Brien, Leah C.; Ni, Ann; Mahkdoom, Bilal; O'Brien, James J.

    2015-04-01

    The (1, 1) band of the CΩ = 3/2 - X2Δ3/2 transition of ZrF has been recorded at high resolution using intracavity laser absorption spectroscopy. The ZrF molecules were produced using a Zr-lined copper hollow cathode sputter source with a trace amount of SF6 as a fluoride source. Molecular constants from the analysis are presented and compared with previous work.

  4. Comment on 'Discrepancies in the resonance-fluorescence spectrum calculated with two methods'

    SciTech Connect

    Ficek, Zbigniew

    2009-05-15

    There are two alternative methods used in the literature to calculate the incoherent part of the spectrum of light scattered by an atomic system. In the first, one calculates the spectrum of the total light scattered by the system and obtains the incoherent part by subtracting the coherent part. In the second method, one introduces the fluctuation operators and obtains the incoherent part of the spectrum by taking the Fourier transform of the two-time correlation function of the fluctuation operators. These two methods have been recognized for years as completely equivalent for evaluating the incoherent part of the spectrum. In a recent paper, Xu et al. [Phys. Rev. A 78, 013407 (2008)] showed that there are discrepancies between the incoherent parts of the stationary spectrum of a three-level {lambda}-type system calculated with these two methods. The predicted discrepancies can be severe that over a wide range of the Rabi frequencies and atomic decay rates, the spectrum calculated with the variance method can have negative values. In this Comment, we show that there are no discrepancies between these two methods. We show the equivalence of these two methods that leads to the same incoherent spectra which are positive for all frequencies independent of values of the parameters involved. We also identify the source of the discrepancy, that is, in an incorrect treatment of the incoherent part of the spectrum calculated with the two-time correlation function of the fluctuation operators.

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

    SciTech Connect

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

    2014-11-21

    In the course of investigations of thermal neutron detection based on mixtures of {sup 10}BF{sub 3} with other gases, knowledge was required of the photoabsorption cross sections of {sup 10}BF{sub 3} 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{sup −20} cm{sup 2} at 135 nm to less than 10{sup −21} cm{sup 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.

  6. 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.

  7. Fourier-analytic technique for the separation of the signature of atmospheric ClO absorption from the solar background spectrum in the near ultraviolet

    SciTech Connect

    Burnett, E.B.

    1989-02-01

    The high-resolution ClO absorption signature in the region of 308.1 nm has a very low absorption fraction, of the order of 6 x 10/sup -5/, and linewidths comparable with those of the solar background spectrum. Because of the need for reliable absorption measurements of the abundance of this species, which is important in ozone photochemistry, a Fourier-analysis-based technique for the deconvolution of atmospheric solar absorption spectra in this region has been developed. The technique utilizes the regularity of the ClO spectrum and results in a significant reduction in the minimum signal-to-noise required for the retrieval of ClO abundances from absorption spectra.

  8. Ultrafast Time-Resolved Emission and Absorption Spectra of meso-Pyridyl Porphyrins upon Soret Band Excitation Studied by Fluorescence Up-Conversion and Transient Absorption Spectroscopy.

    PubMed

    Venkatesh, Yeduru; Venkatesan, M; Ramakrishna, B; Bangal, Prakriti Ranjan

    2016-09-01

    A comprehensive study of ultrafast molecular relaxation processes of isomeric meso-(pyridyl) porphyrins (TpyPs) has been carried out by using femtosecond time-resolved emission and absorption spectroscopic techniques upon pumping at 400 nm, Soret band (B band or S2), in 4:1 dichloromethane (DCM) and tetrahydrofuran (THF) solvent mixture. By combined studies of fluorescence up-conversion, time-correlated single photon counting, and transient absorption spectroscopic techniques, a complete model with different microscopic rate constants associated with elementary processes involved in electronic manifolds has been reported. Besides, a distinct coherent nuclear wave packet motion in Qy state is observed at low-frequency mode, ca. 26 cm(-1) region. Fluorescence up-conversion studies constitute ultrafast time-resolved emission spectra (TRES) over the whole emission range (430-710 nm) starting from S2 state to Qx state via Qy state. Careful analysis of time profiles of up-converted signals at different emission wavelengths helps to reveal detail molecular dynamics. The observed lifetimes are as indicated: A very fast decay component with 80 ± 20 fs observed at ∼435 nm is assigned to the lifetime of S2 (B) state, whereas being a rise component in the region of between 550 and 710 nm emission wavelength pertaining to Qy and Qx states, it is attributed to very fast internal conversion (IC) occurring from B → Qy and B → Qx as well. Two distinct components of Qy emission decay with ∼200-300 fs and ∼1-1.5 ps time constants are due to intramolecular vibrational redistribution (IVR) induced by solute-solvent inelastic collisions and vibrational redistribution induced by solute-solvent elastic collision, respectively. The weighted average of these two decay components is assigned as the characteristic lifetime of Qy, and it ranges between 0.3 and 0.5 ps. An additional ∼20 ± 2 ps rise component is observed in Qx emission, and it is assigned to the formation time of

  9. ENVIRONMENTAL TECHNOLOGY VERIFICATION REPORT - FIELD PORTABLE X-RAY FLUORESCENCE ANALYZER - SCITEC, MAP SPECTRUM ANALYZER

    EPA Science Inventory

    In April 1995, the U.S. Environmental Protection Agency (EPA) sponsored a demonstration of field portable X-ray fluorescence (FPXRF) analyzers. The primary objectives of this demonstration were (1) to determine how well FPXRF analyzers perform in comparison to standard reference...

  10. Imaging electronic trap states in perovskite thin films with combined fluorescence and femtosecond transient absorption microscopy

    DOE PAGESBeta

    Xiao, Kai; Ma, Ying -Zhong; Simpson, Mary Jane; Doughty, Benjamin; Yang, Bin

    2016-04-22

    Charge carrier trapping degrades the performance of organometallic halide perovskite solar cells. To characterize the locations of electronic trap states in a heterogeneous photoactive layer, a spatially resolved approach is essential. Here, we report a comparative study on methylammonium lead tri-iodide perovskite thin films subject to different thermal annealing times using a combined photoluminescence (PL) and femtosecond transient absorption microscopy (TAM) approach to spatially map trap states. This approach coregisters the initially populated electronic excited states with the regions that recombine radiatively. Although the TAM images are relatively homogeneous for both samples, the corresponding PL images are highly structured. Themore » remarkable variation in the PL intensities as compared to transient absorption signal amplitude suggests spatially dependent PL quantum efficiency, indicative of trapping events. Furthermore, detailed analysis enables identification of two trapping regimes: a densely packed trapping region and a sparse trapping area that appear as unique spatial features in scaled PL maps.« less

  11. Imaging Electronic Trap States in Perovskite Thin Films with Combined Fluorescence and Femtosecond Transient Absorption Microscopy.

    PubMed

    Simpson, Mary Jane; Doughty, Benjamin; Yang, Bin; Xiao, Kai; Ma, Ying-Zhong

    2016-05-01

    Charge carrier trapping degrades the performance of organometallic halide perovskite solar cells. To characterize the locations of electronic trap states in a heterogeneous photoactive layer, a spatially resolved approach is essential. Here, we report a comparative study on methylammonium lead tri-iodide perovskite thin films subject to different thermal annealing times using a combined photoluminescence (PL) and femtosecond transient absorption microscopy (TAM) approach to spatially map trap states. This approach coregisters the initially populated electronic excited states with the regions that recombine radiatively. Although the TAM images are relatively homogeneous for both samples, the corresponding PL images are highly structured. The remarkable variation in the PL intensities as compared to transient absorption signal amplitude suggests spatially dependent PL quantum efficiency, indicative of trapping events. Detailed analysis enables identification of two trapping regimes: a densely packed trapping region and a sparse trapping area that appear as unique spatial features in scaled PL maps. PMID:27103096

  12. UV and VUV spectrum of matrix-isolated In: an investigation by absorption, magnetic circular dichroism and emission yield spectroscopy

    NASA Astrophysics Data System (ADS)

    Schroeder, W.; Rotermund, H.-H.; Wiggenhauser, H.; Schrittenlacher, W.; Hormes, J.; Krebs, W.; Laaser, W.

    1986-05-01

    The electronic absorption spectra of In atoms isolated in neon, argon, krypton and xenon matrices have been measured in the energy range between 2.5 and 9.0 eV. This region includes the 5s 25p → 5s 26s and 5s 25p → 5s 25d resonance transitions, higher members of the corresponding s- and d-Rydberg series and the inner shell 5s 25p → 5s5p 2 transitions. A correlation of the absorption spectra with results obtained from magnetic circular dichroism and fluorescence measurements has made it possible to provide a detailed assignment of most of the features in the spectra in spite of the complexities associated with their behavior. For example, the transition to 5s 26s could not be detected in any of the matrices and the 5s 25d configuration was found to be strongly quenched in intensity as compared to the other transitions. In contrast, several Rydberg transitions could be observed for In in Ne. These were satisfactorily interpreted within the Frenkel formalism. Some of these observations have been rationalized by assuming that the average radius of the wavefunction for the excited state is the dominant parameter for the matrix interaction.

  13. 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.

  14. 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.

  15. 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.

  16. 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. PMID:15618511

  17. Anomalously Broad Diffuse Interstellar Bands and Excited CH+ Absorption in the Spectrum of Herschel 36

    NASA Astrophysics Data System (ADS)

    York, D. G.; Dahlstrom, J.; Welty, D. E.; Oka, T.; Hobbs, L. M.; Johnson, S.; Friedman, S. D.; Jiang, Z.; Rachford, B. L.; Snow, T. P.; Sherman, R.; Sonnentrucker, P.

    2014-02-01

    Anomalously broad diffuse interstellar bands (DIBs) at 5780.5, 5797.1, 6196.0, and 6613.6 Å are found in absorption along the line of sight to Herschel 36, an O star system next to the bright Hourglass nebula of the Hii region Messier 8. Excited lines of CH and CH+ are seen as well. We show that the region is very compact and itemize other anomalies of the gas. An infrared-bright star within 400 AU is noted. The combination of these effects produces anomalous DIBs, interpreted by Oka et al. (2013, see also this volume) as being caused predominantly by infrared pumping of rotational levels of relatively small molecules.

  18. [Study on the concentration of mineral oil in water by online intelligent detection based on fluorescence spectrum].

    PubMed

    Tang, Yuan-he; Liu, Qing-song; Ivieng, Lei; Liu, Han-chen; Liu, Qian; Li, Cun-xia

    2015-02-01

    In order to monitor the oil pollution of water real time and accurately for the environmental protection, an intelligent online detection system for the mineral oil in water is put forward in the present paper, based on the technology of ultraviolet fluorescence and internet of things (IOT). For this system, the resolution can be improved by using the higher precision asymmetric Czemy-Turner monochromator; the impact of light fluctuations on the results of exploration can be corrected by a bunch reference light; the optical system deviation caused by the instrument vibration can be reduced by optical fiber transmission; the coupling efficiency of fiber and output signal can be increased by a special fiber beam; the real-time measurement, data processing and remote control can be achieved by the control module and wireless communication module. This system has characteristics of high integration, high precision and good stability etc. The concentration of the unknown sample can be accurately calculated by the methods of parallel algorithms of chemometric metrology and the calculation errors caused by different components can be reduced by the theory of chemical correction factor analysis. The fluorescence spectra of three kinds of sample solution, diesel, engine and crude oil in preparative concentration of 10, 25, 50 and 100 mg x L(-1) were measured by this system respectively. The absorption wavelengths of the above-mentioned three oils were measured to be 256, 365 and 397 nm by a grating spectrometer; their absorbances were measured to be 0.028, 0.036 and 0.041 by fluorescence spectrophotometer, respectively. Their fluorescence emission wavelengths are 355, 419 and 457 nm respectively. Finally the concentration detection limits of the mineral oil in water of diesel, engine and crude oil were obtained, i.e., 0.03, 0.04 and 0.06 mg x L(-1) respectively. Their relative errors are 2.1%, 1.0% and 2.8% respectively. PMID:25970905

  19. Excited-state intramolecular proton transfer of 2-acetylindan-1,3-dione studied by ultrafast absorption and fluorescence spectroscopy

    PubMed Central

    Verma, Pramod Kumar; Steinbacher, Andreas; Schmiedel, Alexander; Nuernberger, Patrick; Brixner, Tobias

    2015-01-01

    We employ transient absorption from the deep-UV to the visible region and fluorescence upconversion to investigate the photoinduced excited-state intramolecular proton-transfer dynamics in a biologically relevant drug molecule, 2-acetylindan-1,3-dione. The molecule is a ß-diketone which in the electronic ground state exists as exocyclic enol with an intramolecular H-bond. Upon electronic excitation at 300 nm, the first excited state of the exocyclic enol is initially populated, followed by ultrafast proton transfer (≈160 fs) to form the vibrationally hot endocyclic enol. Subsequently, solvent-induced vibrational relaxation takes place (≈10 ps) followed by decay (≈390 ps) to the corresponding ground state. PMID:26798837

  20. Versatile plug flow catalytic cell for in situ transmission/fluorescence x-ray absorption fine structure measurements

    NASA Astrophysics Data System (ADS)

    Centomo, P.; Meneghini, C.; Zecca, M.

    2013-05-01

    A novel flow-through catalytic cell has been developed for in situ x-ray absorption spectroscopy (XAS) experiments on heterogeneous catalysts under working conditions and in the presence of a liquid and a gas phase. The apparatus allows to carry out XAS measurements in both the transmission and fluorescence modes, at moderate temperature (from RT to 50-80 °C) and low-medium gas pressure (up to 7-8 bars). The materials employed are compatible with several chemicals such as those involved in the direct synthesis of hydrogen peroxide (O2, H2, H2O2, methanol). The versatile design of the cell allows to fit it to different experimental setups in synchrotron radiation beamlines. It was used successfully for the first time to test nanostructured Pd catalysts during the direct synthesis of hydrogen peroxide (H2O2) in methanol solution from dihydrogen and dioxygen.

  1. Absorption and Luminescence Studies of Some Highly Fluorescent Derivatives of Vitamin B1; Solvent and pH Effects

    NASA Astrophysics Data System (ADS)

    Marciniak, B.; Koput, J.; Kozubek, H.

    1990-08-01

    The influence of solvent on the UV-visible absorption and luminescence spectra of some highly fluorescent vitamin B1 derivatives, the products of the reaction of N-methylated vitamin B1 with cytidine (I), adenosine (II) and 2-amino-4-methylpyridine (III) is studied. Spectroscopic manifestations of protonation of I and II are also investigated using a semiempirical INDO/S CI method. Singlet and triplet energy levels of the free ion and several protonated species are calculated, and transition energies and oscillator strengths are compared with the experimental spectra. Calculated charge densities on heteroatoms in the ground and excited singlet and triplet states are correlated with changes of the experimental pKa values with excitation. The results for I and II are compared with those for the trimethylated pyrichrominium ion (III) previously studied

  2. Reverse micelles in supercritical fluids. (2) Fluorescence and absorption spectral probes of adjustable aggregation in the two-phase region

    SciTech Connect

    Yazdi, P.; McFann, G.J.; Fox, M.A.; Johnston, K.P. )

    1990-09-06

    The properties of bis(2-ethylhexyl) sodium sulfosuccinate (AOT) reverse micelles and microemulsions in supercritical fluid (SCF) ethane, liquid propane, and other alkanes are reported. The microscopic environment inside the reverse micelles was investigated with the absorption probe pyridine N-oxide and the fluorescence probe 8-anilino-1-naphthalenesulfonic acid (ANS). The microscopic behavior is related directly to a macroscopic property, the water-to-surfactant ratio W{sub o}. In the one-phase region, a reverse micelle in a SCF is much like that in a liquid solvent. However, in the two-phase region, both the microscopic and macroscopic properties may be adjusted with pressure in ethane and propane, because of changes in the partitioning of the components between the phases.

  3. Studying Photosynthesis by Measuring Fluorescence

    ERIC Educational Resources Information Center

    Sanchez, Jose Francisco; Quiles, Maria Jose

    2006-01-01

    This paper describes an easy experiment to study the absorption and action spectrum of photosynthesis, as well as the inhibition by heat, high light intensity and the presence of the herbicide 3-(3,4-dichlorophenyl)-1,1-dimethylurea (DCMU) on the photosynthetic process. The method involves measuring the chlorophyll fluorescence emitted by intact…

  4. Theory and experiment of coherent wave packet dynamics in rare earth solids: Absorption spectrum vs femtosecond fringe-resolved interferogram

    NASA Astrophysics Data System (ADS)

    Luo, Q.; Dai, D. C.; Wang, G. Q.; Ninulescu, V.; Yu, X. Y.; Luo, L.; Zhou, J. Y.; Yan, YiJing

    2001-01-01

    Coherent dynamic property of neodymium yttrium aluminum garnet (Nd:YAG) crystal at 77 K is studied via the conventional absorption, the femtosecond fringe-resolved wave packet interferometry, and the related difference-phase spectrum. The recorded interferogram exhibits beatings in subpicosecond time scale arising from the interferences among various weakly split 4f-electronic states and the coupled vibronic optical phonon sidebands. The electron-phonon coupling in Nd:YAG can be well described by multiple Brownian oscillators model involving in each individual electronic transition. The parameters for characterizing material coherence and relaxation are determined via the theoretical modelings of both the frequency and the time-domain experimental signals.

  5. Rational molecular design towards Vis/NIR absorption and fluorescence by using pyrrolopyrrole aza-BODIPY and its highly conjugated structures for organic photovoltaics.

    PubMed

    Shimizu, Soji; Iino, Taku; Saeki, Akinori; Seki, Shu; Kobayashi, Nagao

    2015-02-01

    Pyrrolopyrrole aza-BODIPY (PPAB) developed in our recent study from diketopyrrolopyrrole by titanium tetrachloride-mediated Schiff-base formation reaction with heteroaromatic amines is a highly potential chromophore due to its intense absorption and fluorescence in the visible region and high fluorescence quantum yield, which is greater than 0.8. To control the absorption and fluorescence of PPAB, particularly in the near-infrared (NIR) region, further molecular design was performed using DFT calculations. This results in the postulation that the HOMO-LUMO gap of PPAB is perturbed by the heteroaromatic moieties and the aryl-substituents. Based on this molecular design, a series of new PPAB molecules was synthesized, in which the largest redshifts of the absorption and fluorescence maxima up to 803 and 850 nm, respectively, were achieved for a PPAB consisting of benzothiazole rings and terthienyl substituents. In contrast to the sharp absorption of PPAB, a PPAB dimer, which was prepared by a cross-coupling reaction of PPAB monomers, exhibited panchromatic absorption across the UV/Vis/NIR regions. With this series of PPAB chromophores in hand, a potential application of PPAB as an optoelectronic material was investigated. After identifying a suitable PPAB molecule for application in organic photovoltaic cells based on evaluation using time-resolved microwave conductivity measurements, a maximized power conversion efficiency of 1.27 % was achieved. PMID:25533757

  6. Absorption and fluorescence characteristics of chromophoric dissolved organic matter in the Yangtze Estuary.

    PubMed

    Sun, Qiyuan; Wang, Chao; Wang, Peifang; Hou, Jun; Ao, Yanhui

    2014-03-01

    The Yangtze Estuary is heavily influenced by coast-continent geochemical processes and anthropogenic activity; thus, the source and distribution of chromophoric dissolved organic matter (CDOM) in the estuary are strongly impacted by these processes. Here, a series of samples were collected from across the Yangtze Estuary to investigate the source and spatial dynamics of CDOM and its components throughout the system. Three indices (a(355), spectral slope, and fluorescence) were then calculated and interpreted. The results indicated that the distribution of CDOM was dominated by allochthonous input, conservative mixing, and phase transfer. The contribution of biogenic CDOM to total CDOM increased with salinity, and three individual CDOM components were identified upon fluorescence excitation emission matrix spectroscopy and parallel factor analysis of the water samples: C1, corresponding to humic substance-like CDOM, C2, corresponding to tryptophan-like CDOM, and C3, corresponding to tyrosine-like CDOM. C1 primarily originated from a terrestrial source, C2 had widespread origins, none of which played a dominant role, and C3 mainly originated from allochthonous input in the medium salinity area. Unexpectedly, no marine humic-like component was found in the surface water of the Yangtze Estuary, possibly because turbidity decreased the depth of sunlight penetration, limiting production of this component. PMID:24243263

  7. [Rapid Identification of Epicarpium Citri Grandis via Infrared Spectroscopy and Fluorescence Spectrum Imaging Technology Combined with Neural Network].

    PubMed

    Pan, Sha-sha; Huang, Fu-rong; Xiao, Chi; Xian, Rui-yi; Ma, Zhi-guo

    2015-10-01

    To explore rapid reliable methods for detection of Epicarpium citri grandis (ECG), the experiment using Fourier Transform Attenuated Total Reflection Infrared Spectroscopy (FTIR/ATR) and Fluorescence Spectrum Imaging Technology combined with Multilayer Perceptron (MLP) Neural Network pattern recognition, for the identification of ECG, and the two methods are compared. Infrared spectra and fluorescence spectral images of 118 samples, 81 ECG and 37 other kinds of ECG, are collected. According to the differences in tspectrum, the spectra data in the 550-1 800 cm(-1) wavenumber range and 400-720 nm wavelength are regarded as the study objects of discriminant analysis. Then principal component analysis (PCA) is applied to reduce the dimension of spectroscopic data of ECG and MLP Neural Network is used in combination to classify them. During the experiment were compared the effects of different methods of data preprocessing on the model: multiplicative scatter correction (MSC), standard normal variable correction (SNV), first-order derivative(FD), second-order derivative(SD) and Savitzky-Golay (SG). The results showed that: after the infrared spectra data via the Savitzky-Golay (SG) pretreatment through the MLP Neural Network with the hidden layer function as sigmoid, we can get the best discrimination of ECG, the correct percent of training set and testing set are both 100%. Using fluorescence spectral imaging technology, corrected by the multiple scattering (MSC) results in the pretreatment is the most ideal. After data preprocessing, the three layers of the MLP Neural Network of the hidden layer function as sigmoid function can get 100% correct percent of training set and 96.7% correct percent of testing set. It was shown that the FTIR/ATR and fluorescent spectral imaging technology combined with MLP Neural Network can be used for the identification study of ECG and has the advantages of rapid, reliable effect. PMID:26904814

  8. Hydrological and biogeochemical Controls on Absorption and Fluorescence of Dissolved Organic Matter in the Northern South China Sea

    NASA Astrophysics Data System (ADS)

    Guo, Weidong; Wang, Chao; Li, Yan; Li, Yizhen; Song, Guodong; Wang, Lei; Cheng, Yuanyue

    2016-04-01

    Absorption and fluorescence of dissolved organic matter (DOM) were investigated in the northern South China Sea (SCS) and adjacent Kuroshio section of the West Philippine Sea (WPS). Two humic-like (C1, C2) and three protein-like (C3-C5) fluorescent components were identified using parallel factor analysis (PARAFAC). chromophoric DOM (CDOM) and fluorescent DOM (FDOM) in the northern SCS showed similar distribution patterns to the adjacent Kuroshio section and global open ocean, yet exhibited higher values in the whole water column. An isopycnal mixing model was adopted to quantify the difference in CDOM and FDOM in the euphotic zone between the northern SCS and WPS. Results showed that CDOM and humic-like FDOM were mainly modulated by Kuroshio intrusion, while protein-like FDOM were more affected by biological activities. At mid-depth, significant linear relationships between a350, C1, C2 and apparent oxygen utilization (AOU) suggested that CDOM and humic-like FDOM were produced in situ coupled to remineralization of biogenic sinking particle. Excess humic-like FDOM in the intermediate water of northern SCS were determined and more proportion of high molecular weight organic carbon was exported to the open ocean interior. In addition, regional distribution patterns of CDOM and FDOM were also tuned by mesoscale processes in the northern SCS. Different CDOM and FDOM components in the euphotic zone have apparently different responses for changes of biological activity and vertical mixing driven by eddies. Moreover, cold eddy could capture more sinking particles and finally increase the accumulation of bio-refractory CDOM and humic-like FDOM in the dark ocean. Finally, we demonstrated that the ratio of two humic-like FDOM (C1:C2, or peak C:M) may be a good indicator of water mixing, evolution of mesoscale eddies, photochemistry in the upper water and remineralization in the deeper layer.

  9. Signature OH Absorption Spectrum from cluster Models of Solvation: a solvent-to-solute charge transfer state

    SciTech Connect

    Tsai, Ming Kang; Kowalski, Karol; Valiev, Marat; Dupuis, Michel

    2007-10-25

    ab initio electronic structure theories applied to cluster models support the characterization of the signature of the OH absorption spectrum to be a solvent-to-solute charge transfer state affected by the hydrogen bonding environment in the region of 250 nm (calculated). The vertical excited states were calculated at the TDDFT level of theory with using OH(H2O)n clusters (n = 0-7, 16) with companion calculations at the EOM-CCSD level of theory for n ≤ 7. An intense solvent-to-solute charge transfer transition was calculated for n = 16 cluster where the donor and acceptor molecular orbitals are in favorable alignment. In the other smaller clusters the transitions in this region were found to be weak. The present findings are consistent with the experimental absorption at 230 nm suggested to be a solvent-to-solute charge transfer and provide insight into the electronic states and orbitals that give rise to the intensity of the band. This work was supported by the U.S. Department of Energy's (DOE) Office of Basic Energy Sciences, Chemical Sciences program, and was performed in part using the Molecular Science Computing Facility (MSCF) in the William R. Wiley Environmental Molecular Sciences Laboratory, a DOE national scientific user facility located at the Pacific Northwest National Laboratory (PNNL). PNNL is operated by Battelle for DOE.

  10. 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.

  11. A two photon absorption laser induced fluorescence diagnostic for fusion plasmas

    SciTech Connect

    Magee, R. M.; Galante, M. E.; McCarren, D.; Scime, E. E.; Boivin, R. L.; Brooks, N. H.; Groebner, R. J.; Hill, D. N.; Porter, G. D.

    2012-10-15

    The quality of plasma produced in a magnetic confinement fusion device is influenced to a large extent by the neutral gas surrounding the plasma. The plasma is fueled by the ionization of neutrals, and charge exchange interactions between edge neutrals and plasma ions are a sink of energy and momentum. Here we describe a diagnostic capable of measuring the spatial distribution of neutral gas in a magnetically confined fusion plasma. A high intensity (5 MW/cm{sup 2}), narrow bandwidth (0.1 cm{sup -1}) laser is injected into a hydrogen plasma to excite the Lyman {beta} transition via the simultaneous absorption of two 205 nm photons. The absorption rate, determined by measurement of subsequent Balmer {alpha} emission, is proportional to the number of particles with a given velocity. Calibration is performed in situ by filling the chamber to a known pressure of neutral krypton and exciting a transition close in wavelength to that used in hydrogen. We present details of the calibration procedure, including a technique for identifying saturation broadening, measurements of the neutral density profile in a hydrogen helicon plasma, and discuss the application of the diagnostic to plasmas in the DIII-D tokamak.

  12. The Fourier transform absorption spectrum of acetylene between 8280 and 8700 cm-1

    NASA Astrophysics Data System (ADS)

    Lyulin, O. M.; Vander Auwera, J.; Campargue, A.

    2016-07-01

    High resolution (0.011 cm-1) room temperature (295 K) Fourier transform absorption spectra (FTS) of acetylene have been analyzed in the 8280-8700 cm-1 range dominated by the ν1+ν2+ν3 band at 8512 cm-1. Line positions and intensities were retrieved from FTS spectra recorded at 3.84 and 56.6 hPa. As a result, a list of 1001 lines was constructed with intensities ranging between about 2×10-26 and 10-22 cm/molecule. Comparison with accurate predictions provided by a global effective operator model led to the assignment of 629 12C2H2 lines. In addition, 114 lines of the 13C12CH2 isotopologue were assigned using information available in the literature. The 12C2H2 lines belong to thirteen bands, nine of which being newly reported. The 13C12CH2 lines belong to three bands, the intensities of which being reported for the first time. Spectroscopic parameters of the 12C2H2 upper vibrational levels were derived from band-by-band analyses of the line positions (typical rms are on the order of 0.002 cm-1). Three of the analyzed bands were found to be affected by rovibrational perturbations, which are discussed in the frame of a global effective Hamiltonian. The obtained line parameters are compared with those of the two bands included in the HITRAN 2012 database.

  13. [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. PMID:25970914

  14. Theory of the electronic states and absorption spectrum of the LiCl:Ag+ impurity system

    NASA Astrophysics Data System (ADS)

    Jackson, Koblar A.; Lin, Chun C.

    1990-01-01

    The impurity absorption spectra of Ag+ and Cu+ impurities in alkali halide hosts show characteristically different features, despite the similar nature of the corresponding free ions. We use the self-interaction-corrected local-spin-density (SIC-LSD) theory to calculate the electronic structure of the ground state (4d) and the 5s and 5p excited states of the LiCl:Ag+ impurity ion. The method of linear combinations of atomic orbitals is used to determine the wave functions and energy levels. By comparing with previous calculations for LiCl:Cu+, we are able to attribute the differences in the d-->s and d-->p transitions in the ultraviolet spectra of these systems to the increased bonding between host crystal and impurity orbitals in LiCl:Ag+, due to the more extensive nature of the Ag+ 4d orbitals. A modification of the earlier SIC-LSD impurity-crystal procedure is introduced to treat the strongly mixed impurity states.

  15. 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.

  16. Inherent optical properties of the ocean: retrieval of the absorption coefficient of chromophoric dissolved organic matter from airborne laser spectral fluorescence measurements

    NASA Astrophysics Data System (ADS)

    Hoge, Frank E.; Vodacek, Anthony; Swift, Robert N.; Yungel, James K.; Blough, Neil V.

    1995-10-01

    The absorption coefficient of chromophoric dissolved organic matter (CDOM) at 355 nm has been retrieved from airborne laser-induced and water Raman-normalized CDOM fluorescence. Four combined airborne and ship field experiments have demonstrated that (1) the airborne CDOM fluorescence-to--water Raman ratio is linearly related to concurrent quinine-sulfate-standardized CDOM shipboard fluorescence measurements over a wide range of water masses (coastal to blue water); (2) the vicarious calibration of the airborne fluorosensor in units traceable to a fluorescence standard can be established and then maintained over an extended time period by tungsten lamp calibration; (3) the vicariously calibrated airborne CDOM fluorescence-to-water Raman ratio can be directly applied to previously developed

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

    DOE PAGESBeta

    Sonzogni, A.; Zakari-Issoufou, A. -A.; Fallot, M.; Porta, A.; Algora, A.; Tain, J. L.; Valencia, E.; Rice, S.; Bui, V. M.; Cormon, S.; et al

    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

  18. 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

  19. [Fluorescence spectrum monitor for early warning of greenhouse cucumber aphis pests].

    PubMed

    Sui, Yuan-Yuan; Yu, Hai-Ye; Zhang, Lei; Luo, Han; Ren, Shun; Zhao, Guo-Gang

    2012-07-01

    The infection and degree of cucumber aphis pests was studied by analyzing chlorophyllfluorescence spectrum in greenhouse. Based on the configuration of the spectrum, characteristic points were established, in which the intensity of waveband F632 was the first characteristic point between healthy and aphis pests leaves. The second characteristic point was K which was the change rate of spectral curve from waveband F512 to F632. The early warning could be executed on plants depending on these two points. The models of the infection and degrees of aphis pests were established for different wavebands by the least square support vector machine classification method (LSSVMR) radial basis function(RBF). The accuracy rate of classification and prediction of the models was compared by different peaks and valleys value in wavebands. The results indicated that the prediction accuracy of the model established by waveband F632 was the most perfect (96.34%). PMID:23016335

  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. Global Properties of the Ejecta Absorptions in the Spectrum of Eta Carinae

    NASA Astrophysics Data System (ADS)

    Gull, T. R.; Vieira, G. L.; Danks, A. C.

    2002-12-01

    Between 2400A to 3160A, we have identified approximately 500 absorption line complexes, each with up to 20 velocity components. Lines of Fe I, Fe II, Ti II, V II, Ni II, Co II, Mn II, Mg I, Mg II and Na I have been identified. Surprisingly, most of the lines originate from energy levels significantly above the ground level. This is indicative of optical pumping from the Central Source. Line widths and population of various levels are non-thermal. The relative column densities change with velocity. For example, Fe II column densities for one transition arising from 0.1eV increase with ejecta velocity while Fe II column densities for another transition decreases with velocity. This may be due to softening of the ultraviolet radiation that pumps the various ions (neutrals) with velocity. If we assume that the distance of each system scales with distance from the Central Source, only a thirty percent change in distance is noted; yet the ratio of column densities for the Fe II examples given above changes by nearly thirty-fold. If the ejecta distance scales with distance from Eta Carinae, then it is likely that this ejecta originated at nearly the same time. The geometry of the Homunculus has been determined to be a double-lobed structure tilted out of the plane of the sky. We interpret the ejecta as being in the wall of the Southwest lobe, and that this wall just happens to be in line of sight from Eta Carinae to the observer. As Eta Carinae enters into the upcoming minimum, we are already seeing some evidence for changes in column densities due to changes in ultraviolet fluxes. This is reinforced by IUE observations that we have recently re-analyzed with respect to the 5.52 year (2020+/-10 days) spectroscopic period. Observations were done through STScI and funding was through the STIS GTO resources.

  2. Global Properties of the Ejecta Absorptions in the Spectrum of Eta Carinae

    NASA Technical Reports Server (NTRS)

    Gull, T. R.; Vieira, G.; Danks, A.

    2003-01-01

    Between 2400A to 3160A, we have identified approximately 500 absorption line complexes, each with up to 20 velocity components. Lines of Fe I, Fe II, Ti II, V II, Ni II, Co II, Mn II, Mg I, Mg II and Na I have been identified. Surprisingly, most of the lines originate from energy levels significantly above the ground level. This is indcative of optical pumping from the Central Source. Line widths and population of various levels are non-thermal. The relative column densities change with velocity. For example, Fe 11 column densities for one transition arising from approx. 0.l ev increase with ejecta velocity while Fe 11 column densities for another transition decreases with velocity. This may be due to softening of the ultraviolet radiation that pumps the various ions (neutrals) with velocity. If we assume that the distance of each system scales with distance from the Central Source, only a thirty percent change in distance is noted; yet the ratio of column densities for the Fe I1 examples given above changes by nearly thirty-fold. If the ejecta distance scales with distance from Eta Carinae, then it is likely that this ejecta originated at nearly the same time. The geometry of the Homunculus has been determined to be a double-lobed structure tilted out of the plane of the sky. We interpret the ejecta as being in the wall of the Southwest lobe, and that this wall just happens to be in line of sight from Eta Carinae to the observer. As Eta Carinae enters into the upcoming minimum, we are already seeing some evidence for changes in column densities due to changes in ultraviolet fluxes. This is reinforced by IUE observations that we have recently re-analyzed with respect to the 5.52 year (2020 +/- 10 days) spectroscopic period. Observations were done through STScI and funding was through the STIS GTO resources.

  3. Mercury in Environmental and Biological Samples Using Online Combustion with Sequential Atomic Absorption and Fluorescence Measurements: A Direct Comparison of Two Fundamental Techniques in Spectrometry

    ERIC Educational Resources Information Center

    Cizdziel, James V.

    2011-01-01

    In this laboratory experiment, students quantitatively determine the concentration of an element (mercury) in an environmental or biological sample while comparing and contrasting the fundamental techniques of atomic absorption spectrometry (AAS) and atomic fluorescence spectrometry (AFS). A mercury analyzer based on sample combustion,…

  4. Data of fluorescence, UV-vis absorption and FTIR spectra for the study of interaction between two food colourants and BSA.

    PubMed

    Li, Tian; Cheng, Zhengjun; Cao, Lijun; Jiang, Xiaohui; Fan, Lei

    2016-09-01

    In this data article, the fluorescence, UV-vis absorption and FTIR spectra data of BSA-AR1/AG50 system were presented, which were used for obtaining the binding characterization (such as binding constant, binding distance, binding site, thermodynamics, and structural stability of protein) between BSA and AR1/AG50. PMID:27508228

  5. Two-photon absorption of fluorescent protein chromophores incorporating non-canonical amino acids: TD-DFT screening and classical dynamics.

    PubMed

    Alaraby Salem, M; Brown, Alex

    2015-10-14

    Two-photon spectroscopy of fluorescent proteins is a powerful bio-imaging tool characterized by deep tissue penetration and little damage. However, two-photon spectroscopy has lower sensitivity than one-photon microscopy alternatives and hence a protein with a large two-photon absorption cross-section is needed. We use time-dependent density functional theory (TD-DFT) at the B3LYP/6-31+G(d,p) level of theory to screen twenty-two possible chromophores that can be formed upon replacing the amino-acid Tyr66 that forms the green fluorescent protein (GFP) chromophore with a non-canonical amino acid. A proposed chromophore with a nitro substituent was found to have a large two-photon absorption cross-section (29 GM) compared to other fluorescent protein chromophores as determined at the same level of theory. Classical molecular dynamics are then performed on a nitro-modified fluorescent protein to test its stability and study the effect of the conformational flexibility of the chromophore on its two-photon absorption cross-section. The theoretical results show that the large cross-section is primarily due to the difference between the permanent dipole moments of the excited and ground states of the nitro-modified chromophore. This large difference is maintained through the various conformations assumed by the chromophore in the protein cavity. The nitro-derived protein appears to be very promising as a two-photon absorption probe. PMID:26370051

  6. Atomic Emission, Absorption and Fluorescence in the Laser-induced Plasma

    SciTech Connect

    Winefordner, J. D.

    2009-01-22

    The main result of our efforts is the development and successful application of the theoretical model of laser induced plasma (LIP) that allows a back-calculation of the composition of the plasma (and the condensed phase) based on the observable plasma spectrum. The model has an immediate experimental input in the form of LIP spectra and a few other experimentally determined parameters. The model is also sufficiently simple and, therefore, practical. It is conveniently interfaced in a graphical user-friendly form for using by students and any laboratory personnel with only minimal training. In our view, the model opens up the possibility for absolute analysis, i.e. the analysis which requires no standards and tedious calibration. The other parts of this proposal (including plasma diagnostics) were somewhat subordinate to this main goal. Plasma diagnostics provided the model with the necessary experimental input and led to better understanding of plasma processes. Another fruitful direction we pursued was the use of the correlation analysis for material identification and plasma diagnostics. Through a number of computer simulations we achieved a clear understanding of how, where and why this approach works being applied to emission spectra from a laser plasma. This understanding will certainly improve the quality of forensic and industrial analyses where fast and reliable material identification and sorting are required.

  7. An experimental study of the electronic absorption and fluorescence spectral properties of new p-substituted-N-phenylpyrroles and their electrosynthesized polymers

    NASA Astrophysics Data System (ADS)

    Diaw, A. K. D.; Gningue-Sall, D.; Yassar, A.; Brochon, J.-C.; Henry, E.; Aaron, J.-J.

    2015-01-01

    Electronic absorption and fluorescence spectral properties of new p-substituted-N-phenylpyrroles (N-PhPys), including HOPhPy, MeOPhPy, ThPhPy, PhDPy, DPhDPy, PyPhThThPhPy, and their available, electrosynthesized polymers were investigated. Electronic absorption spectra, fluorescence excitation and emission spectra, fluorescence quantum yields (ΦF) and lifetimes (τF), and other photophysical parameters of these N-PhPy derivatives and their polymers were measured in DMF, DMSO diluted solutions and/or solid state at room temperature. The electronic absorption spectra of N-PhPy derivatives and their polymers included one to several bands, located in the 270-395 nm region, according to the p-phenyl substituent electron-donating effect and conjugated heteroaromatic system length. The fluorescence excitation spectra were characterized by one broad main peak, with, in most cases, one (or more) poorly resolved shoulder (s), appearing in the 270-405 nm region, and their emission spectra were generally constituted of several bands located in the 330-480 nm region. No significant shift of the absorption, fluorescence excitation and emission spectra wavelengths was found upon going from the monomers to the corresponding polymers. ΦF values were high, varying between 0.11 and 0.63, according to the nature of substituents(s) and to the conjugated system extension. Fluorescence decays were mono-exponential for the monomers and poly-exponential for PyPhThThPhPy and for polymers. τF values were relatively short (0.35-5.17 ns), and markedly decreased with the electron-donor character of the phenyl group p-substituent and the conjugated system extension.

  8. An experimental study of the electronic absorption and fluorescence spectral properties of new p-substituted-N-phenylpyrroles and their electrosynthesized polymers.

    PubMed

    Diaw, A K D; Gningue-Sall, D; Yassar, A; Brochon, J-C; Henry, E; Aaron, J-J

    2015-01-25

    Electronic absorption and fluorescence spectral properties of new p-substituted-N-phenylpyrroles (N-PhPys), including HOPhPy, MeOPhPy, ThPhPy, PhDPy, DPhDPy, PyPhThThPhPy, and their available, electrosynthesized polymers were investigated. Electronic absorption spectra, fluorescence excitation and emission spectra, fluorescence quantum yields (ΦF) and lifetimes (τF), and other photophysical parameters of these N-PhPy derivatives and their polymers were measured in DMF, DMSO diluted solutions and/or solid state at room temperature. The electronic absorption spectra of N-PhPy derivatives and their polymers included one to several bands, located in the 270-395 nm region, according to the p-phenyl substituent electron-donating effect and conjugated heteroaromatic system length. The fluorescence excitation spectra were characterized by one broad main peak, with, in most cases, one (or more) poorly resolved shoulder (s), appearing in the 270-405 nm region, and their emission spectra were generally constituted of several bands located in the 330-480 nm region. No significant shift of the absorption, fluorescence excitation and emission spectra wavelengths was found upon going from the monomers to the corresponding polymers. ΦF values were high, varying between 0.11 and 0.63, according to the nature of substituents(s) and to the conjugated system extension. Fluorescence decays were mono-exponential for the monomers and poly-exponential for PyPhThThPhPy and for polymers. τF values were relatively short (0.35-5.17 ns), and markedly decreased with the electron-donor character of the phenyl group p-substituent and the conjugated system extension. PMID:25173528

  9. Multiphoton excitation fluorescence correlation spectroscopy of fluorescent DNA base analogs

    NASA Astrophysics Data System (ADS)

    Katilius, Evaldas; Woodbury, Neal W.

    2004-06-01

    Two- and three-photon excitation was used to investigate the properties of two fluorescent DNA base analogs: 2-aminopurine and 6-methylisoxanthopterin. 2-aminopurine is a widely used fluorescent analog of the DNA base adenine. Three-photon excitation of 2-aminopurine is achievable by using intense femtosecond laser pulses in 850-950 nm spectral region. Interestingly, the three-photon excitation spectrum is blue-shifted relative to the three-times-wavelength single-photon excitation spectrum. The maximum of the absorbance band in the UV is at 305 nm, while the three-photon excitation spectrum has a maximum at around 880 nm. Fluorescence correlation measurements were attempted to evaluate the feasibility of using three-photon excitation of 2-aminopurine for DNA-protein interaction studies. However, due to relatively small three-photon absorption cross-section, a good signal-to-noise fluorescence correlation curves take very long time to obtain. Fluorescence properties of 6-methylisoxanthopterin, the fluorescent analog of guanine, were investigated using two-photon excitation. This molecule has the lowest energy absorption band centered around 350 nm, thus, two-photon excitation is attainable using 700 to 760 nm output of Ti-sapphire laser. The excitation spectrum of this molecule in the infrared well matches the doubled-wavelength single-photon excitation spectrum in the UV. The high fluorescence quantum yield of 6-methylisoxanthopterin allows efficient fluorescence correlation measurements and makes this molecule a very good candidate for using in in vitro DNA-protein interaction studies.

  10. Reconstruction of a 6-MeV bremsstrahlung spectrum by multi-layer absorption based on LiF:Mg, Cu, P

    NASA Astrophysics Data System (ADS)

    Huang, Jian-Wei; Wang, Nai-Yan

    2014-10-01

    In this paper, TLD (LiF: Mg, Cu, P) is used as detector. A multi-layer absorption (MLA) model is designed. Combined with Monte-Carlo processes, a bremsstrahlung X-ray spectrum is reconstructed by an iterative method; the reconstructed results agree with the results of simulations by the MCNP process essentially, especially in middle energy region.

  11. On the Putative Detection of Z>0 X-Ray Absorption Features in the Spectrum of Mrk 421

    SciTech Connect

    Rasmussen, Andrew P.; Kahn, Steven M.; Paerels, Frits; Herder, Jan Willem den; Kaastra, Jelle; de Vries, Cor; /SRON, Utrecht

    2006-04-28

    In a series of papers, Nicastro et al. have claimed the detection of z > 0 O VII absorption features in the spectrum of Mrk 421 obtained with the Chandra Low Energy Transmission Grating Spectrometer (LETGS). We evaluate those claims in the context of a high quality spectrum of the same source obtained with the Reflection Grating Spectrometer (RGS) on XMM-Newton. The data comprise over 955 ksec of usable exposure time and more than 2.6 x 10{sup 4} counts per 50 m{angstrom} at 21.6 {angstrom}. We concentrate on the spectrally clean region (21.3 < {lambda} < 22.5 {angstrom}) where sharp features due to the astrophysically abundant O VII may reveal an intervening, warm-hot intergalactic medium (WHIM). In spite of the fact that the sensitivity of the RGS data is higher than that of the original LETGS data presented by Nicastro et al., we do not confirm detection of any of the intervening systems claimed to date. Rather, we detect only three unsurprising, astrophysically expected features down to the log (N{sub i}) {approx} 14.6 (3{sigma}) sensitivity level. Each of the two purported WHIM features is rejected with a statistical confidence that exceeds that reported for its initial detection. While we can not rule out the existence of fainter, WHIM related features in these spectra, we suggest that previous discovery claims were premature. A more recent paper by Williams et al. claims to have demonstrated that the RGS data we analyze here do not have the resolution or statistical quality required to confirm or deny the LETGS detections. We show that the Williams et al. reduction of the RGS data was highly flawed, leading to an artificial and spurious degradation of the instrument response. We carefully highlight the differences between our analysis presented here and those published by Williams et al.

  12. Prediction of two-photon absorption enhancement in red fluorescent protein chromophores made from non-canonical amino acids.

    PubMed

    Salem, M Alaraby; Twelves, Isaac; Brown, Alex

    2016-09-21

    Two-photon spectroscopy of fluorescent proteins is a powerful bio-imaging tool known for deep tissue penetration and little cellular damage. Being less sensitive than the one-photon microscopy alternatives, a protein with a large two-photon absorption (TPA) cross-section is needed. Here, we use time-dependent density functional theory (TD-DFT) at the B3LYP and CAM-B3LYP/6-31+G(d,p) levels of theory to screen twenty-two possible chromophores that can be formed upon replacing the amino-acid Tyr66 that forms the red fluorescent protein (RFP) chromophore with a non-canonical amino acid. The two-level model for TPA was used to assess the properties (i.e., transition dipole moment, permanent dipole moment difference, and the angle between them) leading to the TPA cross-sections determined via response theory. Computing TPA cross-sections with B3LYP and CAM-B3LYP yields similar overall trends. Results using both functionals agree that the RFP-derived model of the Gold Fluorescent Protein chromophore (Model 20) has the largest intrinsic TPA cross-section at the optimized geometry. TPA was further computed for selected chromophores following conformational changes: variation of both the dihedral angle of the acylimine moiety and the tilt and twist angles between the rings of the chromophore. The TPA cross-section assumed an oscillatory trend with the rotation of the acylimine dihedral, and the TPA is maximized in the planar conformation for almost all models. Model 21 (a hydroxyquinoline derivative) is shown to be comparable to Model 20 in terms of TPA cross-section. The conformational study on Model 21 shows that the acylimine angle has a much stronger effect on the TPA than its tilt and twist angles. Having an intrinsic TPA ability that is more than 7 times that of the native RFP chromophore, Models 20 and 21 appear to be very promising for future experimental investigation. PMID:27534378

  13. Quick measurement of continuous absorption spectrum in ion beam pulse radiolysis: Application of optical multi-channel detector into transient species observation

    NASA Astrophysics Data System (ADS)

    Iwamatsu, Kazuhiro; Muroya, Yusa; Yamashita, Shinichi; Kimura, Atsushi; Taguchi, Mitsumasa; Katsumura, Yosuke

    2016-02-01

    A quick measurement system of a continuous absorption spectrum covering a wide range from 200 to 950 nm was constructed by employing an optical multi-channel detector. Ion beam pulse radiolysis with 12.5 MeV/u He, 18.3 MeV/u C and 17.5 MeV/u Ne ions were performed with the measurement system. Transient absorption spectrum of (S C N) 2 • - was clearly observed in KSCN aqueous solutions within a few minutes in spite of their very small absorbance, demonstrating high sensitivity of 0.001-0.003 in absorbance in the range from 260 to 660 nm as well as short measurement time of a few minutes. Two different absorption peaks attributed to Br2 • - and Br3 - were observed simultaneously in NaBr aqueous solutions, showing powerfulness of the measurement system in overviewing chemical kinetics under ion beam irradiation especially in not well investigated chemical systems.

  14. Study and parametrization of the night sky background radiation spectrum in the range 3000-6000 Å, for use with air fluorescence detectors of UHECR

    NASA Astrophysics Data System (ADS)

    Moyssides, P. G.; Maltezos, S.; Fokitis, E.

    2005-01-01

    The fluorescence light, induced by showers of the extremely high energy cosmic rays, is produced through the excitation of, mainly, nitrogen molecules, atoms, and ions, in the atmosphere. The fluorescence telescopes of the Auger Project record this nitrogen radiation under the variable night sky optical noise (background radiation) and, therefore, the study of the latter is crucial. In this paper we present a parametrization of an experimental night sky background radiation spectrum that, to our knowledge, is being carried out for the first time, recorded in the range 3000-6000 Å. Although the parametrization described here refers to a particular spectrum, our results are generally applicable, and could be adapted to those prevailing in particular locations, where EAS fluorescence telescopes are operating if, in addition, the gradual time variations of the spectrum are taken into account. They could be useful in data analysis for the event reconstruction, during the operation of the fluorescence detector of the Auger Observatory, since they could be used for the experimental emulation of the optical noise. In addition, they could be used in the designing of air fluorescence observatory components, such as photomultipliers and their spectral sensitivity, as well as in the corresponding optical filters.

  15. Accurate calculation of the x-ray absorption spectrum of water via the GW/Bethe-Salpeter equation

    NASA Astrophysics Data System (ADS)

    Gilmore, Keith; Vinson, John; Kas, Josh; Vila, Fernando; Rehr, John

    2014-03-01

    We calculate x-ray absorption spectra (XAS) of water within the OCEAN code, which combines plane-wave, pseudopotential electronic structure, PAW transition elements, GW self-energy corrections, and the NIST BSE solver. Due to the computational demands of this approach, our initial XAS calculations were limited to 17 molecule super cells. This lead to unphysical, size dependent effects in the calculated spectra. To treat larger systems, we extended the OCEAN interface to support well-parallelized codes such as QuantumESPRESSO. We also implemented an efficient interpolation scheme of Shirley. We applied this large-scale GW/BSE approach to 64 molecule unit cell structures of water obtained from classical DFT/MD and PIMD simulations. In concurrence with previous work, we find the calculated spectrum both qualitatively and quantitatively reproduces the experimental features. The agreement implies that structures based on PIMD, which are similar to the traditional distorted tetrahedral view, are consistent with experimental observations. Supported by the DOE CMCSN through DOE award DE-SC0005180 (Princeton University) and in part by DOE Grant No. DE-FG03-97ER45623 (JJR) with computer support from NERSC.

  16. Communication: Does a single CH3CN molecule attached to Ru(bipy)3(2+) affect its absorption spectrum?

    PubMed

    Stockett, M H; Brøndsted Nielsen, S

    2015-05-01

    Tris(bipyridine)ruthenium(II) (Ru(bipy)3 (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. PMID:25956080

  17. Communication: Does a single CH3CN molecule attached to Ru(bipy)32+ affect its absorption spectrum?

    NASA Astrophysics Data System (ADS)

    Stockett, M. H.; Brøndsted Nielsen, S.

    2015-05-01

    Tris(bipyridine)ruthenium(II) (Ru(bipy)32+) 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.

  18. Multi-wavelength fluorescence tomography

    NASA Astrophysics Data System (ADS)

    Kwong, Tiffany C.; Lo, Pei-An; Cho, Jaedu; Nouizi, Farouk; Chiang, Huihua K.; Kim, Chang-Seok; Gulsen, Gultekin

    2016-03-01

    The strong scattering and absorption of light in biological tissue makes it challenging to model the propagation of light, especially in deep tissue. This is especially true in fluorescent tomography, which aims to recover the internal fluorescence source distribution from the measured light intensities on the surface of the tissue. The inherently ill-posed and underdetermined nature of the inverse problem along with strong tissue scattering makes Fluorescence Tomography (FT) extremely challenging. Previously, multispectral detection fluorescent tomography (FT) has been shown to improve the image quality of FT by incorporating the spectral filtering of biological tissue to provide depth information to overcome the inherent absorption and scattering limitations. We investigate whether multi-wavelength fluorescent tomography can be used to distinguish the signals from multiple fluorophores with overlapping fluorescence spectrums using a unique near-infrared (NIR) swept laser. In this work, a small feasibility study was performed to see whether multi-wavelength FT can be used to detect subtle shifts in the absorption spectrum due to differences in fluorophore microenvironment.

  19. The energy spectrum of cosmic rays above 1017.2 eV measured by the fluorescence detectors of the Telescope Array experiment in seven years

    NASA Astrophysics Data System (ADS)

    Abbasi, R. U.; Abe, M.; Abu-Zayyad, T.; Allen, M.; Azuma, R.; Barcikowski, E.; Belz, J. W.; Bergman, D. R.; Blake, S. A.; Cady, R.; Cheon, B. G.; Chiba, J.; Chikawa, M.; Cho, W. R.; Fujii, T.; Fukushima, M.; Goto, T.; Hanlon, W.; Hayashi, Y.; Hayashida, N.; Hibino, K.; Honda, K.; Ikeda, D.; Inoue, N.; Ishii, T.; Ishimori, R.; Ito, H.; Ivanov, D.; Jui, C. C. H.; Kadota, K.; Kakimoto, F.; Kalashev, O.; Kasahara, K.; Kawai, H.; Kawakami, S.; Kawana, S.; Kawata, K.; Kido, E.; Kim, H. B.; Kim, J. H.; Kim, J. H.; Kitamura, S.; Kitamura, Y.; Kuzmin, V.; Kwon, Y. J.; Lan, J.; Lundquist, J. P.; Machida, K.; Martens, K.; Matsuda, T.; Matsuyama, T.; Matthews, J. N.; Minamino, M.; Mukai, Y.; Myers, I.; Nagasawa, K.; Nagataki, S.; Nakamura, T.; Nonaka, T.; Nozato, A.; Ogio, S.; Ogura, J.; Ohnishi, M.; Ohoka, H.; Oki, K.; Okuda, T.; Ono, M.; Oshima, A.; Ozawa, S.; Park, I. H.; Pshirkov, M. S.; Rodriguez, D. C.; Rubtsov, G.; Ryu, D.; Sagawa, H.; Sakurai, N.; Scott, L. M.; Shah, P. D.; Shibata, F.; Shibata, T.; Shimodaira, H.; Shin, B. K.; Shin, H. S.; Smith, J. D.; Sokolsky, P.; Springer, R. W.; Stokes, B. T.; Stratton, S. R.; Stroman, T. A.; Suzawa, T.; Takamura, M.; Takeda, M.; Takeishi, R.; Taketa, A.; Takita, M.; Tameda, Y.; Tanaka, H.; Tanaka, K.; Tanaka, M.; Thomas, S. B.; Thomson, G. B.; Tinyakov, P.; Tkachev, I.; Tokuno, H.; Tomida, T.; Troitsky, S.; Tsunesada, Y.; Tsutsumi, K.; Uchihori, Y.; Udo, S.; Urban, F.; Vasiloff, G.; Wong, T.; Yamane, R.; Yamaoka, H.; Yamazaki, K.; Yang, J.; Yashiro, K.; Yoneda, Y.; Yoshida, S.; Yoshii, H.; Zollinger, R.; Zundel, Z.

    2016-07-01

    The Telescope Array (TA) experiment is the largest detector to observe ultra-high-energy cosmic rays in the northern hemisphere. The fluorescence detectors at two stations of TA are newly constructed and have now completed seven years of steady operation. One advantage of monocular analysis of the fluorescence detectors is a lower energy threshold for cosmic rays than that of other techniques like stereoscopic observations or coincidences with the surface detector array, allowing the measurement of an energy spectrum covering three orders of magnitude in energy. Analyzing data collected during those seven years, we report the energy spectrum of cosmic rays covering a broad range of energies above 1017.2eV measured by the fluorescence detectors and a comparison with previously published results.

  20. Fluorescence detection of white-beam X-ray absorption anisotropy: towards element-sensitive projections of local atomic structure

    PubMed Central

    Korecki, P.; Tolkiehn, M.; Dąbrowski, K. M.; Novikov, D. V.

    2011-01-01

    Projections of the atomic structure around Nb atoms in a LiNbO3 single crystal were obtained from a white-beam X-ray absorption anisotropy (XAA) pattern detected using Nb K fluorescence. This kind of anisotropy results from the interference of X-rays inside a sample and, owing to the short coherence length of a white beam, is visible only at small angles around interatomic directions. Consequently, the main features of the recorded XAA corresponded to distorted real-space projections of dense-packed atomic planes and atomic rows. A quantitative analysis of XAA was carried out using a wavelet transform and allowed well resolved projections of Nb atoms to be obtained up to distances of 10 Å. The signal of nearest O atoms was detected indirectly by a comparison with model calculations. The measurement of white-beam XAA using characteristic radiation indicates the possibility of obtaining element-sensitive projections of the local atomic structure in more complex samples. PMID:21997909

  1. Two-photon absorption laser induced fluorescence measurement of atomic oxygen density in an atmospheric pressure air plasma jet

    NASA Astrophysics Data System (ADS)

    Conway, J.; Gogna, G. S.; Gaman, C.; Turner, M. M.; Daniels, S.

    2016-08-01

    Atomic oxygen number density [O] is measured in an air atmospheric pressure plasma jet (APPJ) using two-photon absorption laser induced fluorescence (TALIF). Gas flow is fixed at 8 slpm, the RF power coupled into the plasma jet varied between 5 W and 20 W, and the resulting changes in atomic oxygen density measured. Photolysis of molecular oxygen is employed to allow in situ calibration of the TALIF system. During calibration, O2 photo-dissociation and two-photon excitation of the resulting oxygen atoms are achieved within the same laser pulse. The atomic oxygen density produced by photolysis is time varying and spatially non-uniform which needs to be corrected for to calibrate the TALIF system for measurement of atomic oxygen density in plasma. Knowledge of the laser pulse intensity I 0(t), wavelength, and focal spot size allows correction factors to be determined using a rate equation model. Atomic oxygen is used for calibration and measurement, so the laser intensity can be increased outside the TALIF quadratic laser power dependence region without affecting the calibration reliability as the laser power dependence will still be the same for both. The atomic O density results obtained are not directly benchmarked against other known density measurement techniques. The results show that the plasma jet atomic oxygen content increases as the RF power coupled into the plasma increases.

  2. Solvent Effects on the Electronic Absorption and Fluorescence Spectra of HNP: Estimation of Ground and Excited State Dipole Moments.

    PubMed

    Desai, Vani R; Hunagund, Shirajahammad M; Basanagouda, Mahantesha; Kadadevarmath, Jagadish S; Sidarai, Ashok H

    2016-07-01

    We report the effect of solvents on absorption and fluorescence spectra of biologically active 3(2H)-pyridazinone namely 5-(2-hydroxy-naphthalen-1-yl)-2-phenyl-2H-pyridazin-3-one (HNP) in different solvents at room temperature. The ground and the excited state dipole moments of HNP molecule was estimated from Lippert's, Bakshiev's and Kawski-Chamma-Viallet's equations using the solvatochromic shift method. The ground state dipole moment (μ g ) was also estimated by Guggenheim and Higasi method using the dielectric constant and refractive index of solute at different concentrations, the μ g value obtained from these two methods are comparable to the μ g value obtained by the solvatochromic shift method. The excited state dipole moment (μ e ) is greater than the ground state dipole moment (μ g ), which indicates that the excited state is more polar than the ground state. Further, we have evaluated the change in dipole moment (Δμ) from the solvatochromic shift method and on the basis of molecular-microscopic solvent polarity parameter[Formula: see text], later on the values were compared. PMID:27220623

  3. Curium analysis in plutonium uranium mixed oxide by x-ray fluorescence and absorption fine structure spectroscopy.

    PubMed

    Degueldre, C; Borca, C; Cozzo, C

    2013-10-15

    Plutonium uranium mixed oxide (MOX) fuels are being used in commercial nuclear reactors. The actinides in these fuels need to be analyzed after irradiation for assessing their behaviour with regards to their environment and the coolant. In this work the study of the local occurrence, speciation and next-neighbour environment of curium (Cm) in the (Pu,U)O2 lattice within an irradiated (60 MW d kg(-1) average burn-up) MOX sample was performed employing micro-x-ray fluorescence (µ-XRF) and micro-x-ray absorption fine structure (µ-XAFS) spectroscopy. The chemical bonds, valences and stoichiometry of Cm (≈ 0.7 wt% in the rim and ≈ 0.03 wt% in the centre) are determined from the experimental data gained for the irradiated fuel material examined in its centre and peripheral (rim) zones of the fuel. Curium occurrence is also reduced from the centre (hot) to the periphery (colder) because of the condensation of these volatile oxides. In the irradiated sample Cm builds up as Cm(3+) species (>90%) within a [CmO8](13-) or [CmO7](11-) coordination environment and no (<10%) Cm(IV) can be detected in the rim zone. Curium dioxide is reduced because of the redox buffering activity of the uranium dioxide matrix and of its thermodynamic instability. PMID:24054692

  4. Versatile plug flow catalytic cell for in situ transmission/fluorescence x-ray absorption fine structure measurements

    SciTech Connect

    Centomo, P.; Zecca, M.; Meneghini, C.

    2013-05-15

    A novel flow-through catalytic cell has been developed for in situ x-ray absorption spectroscopy (XAS) experiments on heterogeneous catalysts under working conditions and in the presence of a liquid and a gas phase. The apparatus allows to carry out XAS measurements in both the transmission and fluorescence modes, at moderate temperature (from RT to 50-80 Degree-Sign C) and low-medium gas pressure (up to 7-8 bars). The materials employed are compatible with several chemicals such as those involved in the direct synthesis of hydrogen peroxide (O{sub 2}, H{sub 2}, H{sub 2}O{sub 2}, methanol). The versatile design of the cell allows to fit it to different experimental setups in synchrotron radiation beamlines. It was used successfully for the first time to test nanostructured Pd catalysts during the direct synthesis of hydrogen peroxide (H{sub 2}O{sub 2}) in methanol solution from dihydrogen and dioxygen.

  5. Absorption and fluorescence of hydrophobic components of dissolved organic matter in several Karelian lakes with stratified structures

    NASA Astrophysics Data System (ADS)

    Khundzhua, Daria A.; Kharcheva, Anastasia V.; Krasnova, Elena D.; Gorshkova, Olga M.; Chevel, Kira A.; Yuzhakov, Viktor I.; Patsaeva, Svetlana V.

    2016-04-01

    Hydrophobic components of cromophoric dissolved organic matter (CDOM) extracted from water samples and sediments taken in several relic basins located on Karelian shoreline of the White Sea were analyzed using spectroscopic techniques. Those water reservoirs exist at various stages of isolation from the White Sea and represent complex stratified systems of fresh and marine water layers not completely mixing trough the year. Basins separating from the White Sea are the unique natural objects for investigations of properties CDOM, its transformation in the process of turning the marine ecosystem into freshwater environment. CDOM occurring in all types of natural water represents a significant reservoir of organic carbon and plays a key role in the carbon cycle on the Earth. However, aquatic CDOM and nonliving organic matter in sediments from relic separating basins still have not been studied. The target of this work was to study absorption and fluorescence spectra of hydrophobic components of aquatic CDOM from different water depth and sediments in several separated basins of the Kandalaksha Gulf of the White Sea located near the N.A. Pertsov White Sea Biological Station.

  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. Photosynthetic light-harvesting complexes: fluorescent and absorption spectroscopy under two-photon (1200-1500 nm) and one-photon (600-750 nm) excitation by laser femtosecond pulses

    NASA Astrophysics Data System (ADS)

    Stepanenko, Il'ya A.; Kompanets, Viktor O.; Chekalin, Sergey V.; Makhneva, Zoya K.; Moskalenko, Andrey A.; Razjivin, Andrei P.

    2010-09-01

    The pathways of excitation energy transfer (EET) via pigments of the light-harvesting antenna are still in discussion. The bacteriochlorophyll fluorescence of peripheral light-harvesting complexes (LH2) from purple bacteria can be observed upon two-photon excitation (TPE) within 1200-1500 nm spectral range (a broad band near 1300 nm). Earlier the occurrence of this band was taken as an evidence for the participation of "dark" carotenoid S1 state in EET processes (see [Walla et al., Proc. Nat. Acad. Sci. U.S.A. 97, 10808-10813 (2000)] and references in it). However we showed that TPE spectrum of LH2 fluorescence within 1200-1500 nm is not associated with carotenoids [Stepanenko et al., J. Phys. Chem. B. 113(34), 11720-11723 (2009)]. Here we present TPE spectra of fluorescence for chromatophores and lightharvesting complexes LH2 and LH1 from wild-type cells and from carotenoid-depleted or carotenoidless mutant cells of several purple bacteria. The broad band within 1300-1400 nm was found for all preparations. Absorption pump-probe femtosecond spectroscopy applied to LH2 complex from Rb. sphaeroides revealed the similar spectral and kinetic patterns for TPE at 1350 nm and one-photon excitation at 675 nm. Analysis of pigment composition of this complex by high-pressure liquid chromatography showed that even under mild isolation conditions some bacteriochlorophyll molecules were oxidized to 3-acetyl-chlorophyll molecules having the long-wavelength absorption peak in the 650-700 nm range. It is proposed that these 3-acetyl-chlorophyll molecules are responsible for the broad band in TPE spectra within the 1200-1500 nm region.

  8. Photosynthetic light-harvesting complexes: fluorescent and absorption spectroscopy under two-photon (1200-1500 nm) and one-photon (600-750 nm) excitation by laser femtosecond pulses

    NASA Astrophysics Data System (ADS)

    Stepanenko, Il'ya A.; Kompanets, Viktor O.; Chekalin, Sergey V.; Makhneva, Zoya K.; Moskalenko, Andrey A.; Razjivin, Andrei P.

    2011-02-01

    The pathways of excitation energy transfer (EET) via pigments of the light-harvesting antenna are still in discussion. The bacteriochlorophyll fluorescence of peripheral light-harvesting complexes (LH2) from purple bacteria can be observed upon two-photon excitation (TPE) within 1200-1500 nm spectral range (a broad band near 1300 nm). Earlier the occurrence of this band was taken as an evidence for the participation of "dark" carotenoid S1 state in EET processes (see [Walla et al., Proc. Nat. Acad. Sci. U.S.A. 97, 10808-10813 (2000)] and references in it). However we showed that TPE spectrum of LH2 fluorescence within 1200-1500 nm is not associated with carotenoids [Stepanenko et al., J. Phys. Chem. B. 113(34), 11720-11723 (2009)]. Here we present TPE spectra of fluorescence for chromatophores and lightharvesting complexes LH2 and LH1 from wild-type cells and from carotenoid-depleted or carotenoidless mutant cells of several purple bacteria. The broad band within 1300-1400 nm was found for all preparations. Absorption pump-probe femtosecond spectroscopy applied to LH2 complex from Rb. sphaeroides revealed the similar spectral and kinetic patterns for TPE at 1350 nm and one-photon excitation at 675 nm. Analysis of pigment composition of this complex by high-pressure liquid chromatography showed that even under mild isolation conditions some bacteriochlorophyll molecules were oxidized to 3-acetyl-chlorophyll molecules having the long-wavelength absorption peak in the 650-700 nm range. It is proposed that these 3-acetyl-chlorophyll molecules are responsible for the broad band in TPE spectra within the 1200-1500 nm region.

  9. The absorption spectrum of the QSO PKS 2126-158 (z_em =3.27) at high resolution

    NASA Astrophysics Data System (ADS)

    D'Odorico, V.; Cristiani, S.; D'Odorico, S.; Fontana, A.; Giallongo, E.

    1998-01-01

    Spectra of the z_em = 3.268 quasar PKS 2126-158 have been obtained in the range lambda lambda 4300-6620 Angstroms with a resolution Rsmallimeq27000 and an average signal-to-noise ratio s/nsmallimeq 25 per resolution element. The list of the identified absorption lines is given together with their fitted column densities and Doppler widths. The modal value of the Doppler parameter distribution for the Lyalpha lines is smallimeq 25 km s(-1) . The column density distribution can be described by a power-law dn / dN ~ N(-beta ) with beta smallimeq 1.5. 12 metal systems have been identified, two of which were previously unknown. In order to make the column densities of the intervening systems compatible with realistic assumptions about the cloud sizes and the silicon to carbon overabundance, it is necessary to assume a jump beyond the He II edge in the spectrum of the UV ionizing background at z smallim 3 a factor 10 larger than the standard predictions for the integrated quasar contribution. An enlarged sample of C IV absorptions (71 doublets) has been used to analyze the statistical properties of this class of absorbers strictly related to galaxies. The column density distribution is well described by a single power-law, with beta =1.64 and the Doppler parameter distribution shows a modal value b_CIV smallimeq 14 km s(-1) . The two point correlation function has been computed in the velocity space for the individual components of C IV features. A significant signal is obtained for scales smaller than 200- 300 km s(-1) , xi (30< Delta v < 90 km\\ s(-1) ) = 33 +/- 3. A trend of decreasing clustering amplitude with decreasing column density is apparent, analogously to what has been observed for Lyalpha lines. Based on observations collected at the European Southern Observatory, La Silla, Chile (ESO No. 2-013-49K). Table 2 is only available in electronic from via anonymous ftp 130.79.128.5 or http://cdsweb.u-strasbg.fr/Abstract.html

  10. 5f3 --> 5f 26d1 absorption spectrum analysis of U3+-SrCl2.

    PubMed

    Karbowiak, Mirosław

    2005-04-28

    The 5f3--> 5f26d1 absorption spectra of the U3+ ions incorporated in SrCl2 single crystals were recorded at 4.2 K in the 15,000-50,000 cm(-1) spectral range. From an analysis of the vibronic structure, 32 zero-phonon lines corresponding to transitions from the 4I9/2 ground multiplet of the 5f3 configuration to the 5f26d(eg)1 excited levels were assigned. A theoretical model proposed by Reid et al. (Reid, H. F.; van Pieterson, L.; Wegh, R. T.; Meijerink, A. Phys. Rev. B 2000, 62, 14744) that extends the established model for energy-level calculations of nf N states has been applied for analysis of the spectrum. The Fk(ff) (k = 2, 4), zeta(5f)(ff), B0(4)(ff), B0(6)(ff), Fk(fd) (k = 2, 4), and Gj(fd) (j = 1, 3) Hamiltonian parameters were determined by a least-squares fitting of the calculated energies to the experimental data. A good overall agreement between the calculated and experimentally observed energy levels has been achieved, with the root-mean-square (rms) deviation equal to 95 cm(-1) for 32 fitted levels and 9 varied parameters. Adjusted values of Fk(ff) and zeta(5f)(ff) parameters for the 5f2 core electrons are closer to the values characteristic of the 5f2 (U4+) configuration than to those of the 5f3 (U3+) configuration. For the U3+ ion, the f-d Coulomb interaction parameters are significantly more reduced from the values calculated using Cowan's computer code than they are for lanthanide ions. Moreover, because of weaker f-d Coulomb interactions for the U3+ ion than for the isoelectronic Nd3+ lanthanide ion, the very simple model assuming the coupling of crystal-field levels of the 6d1 electron with the lattice and the multiplet structure of the 5f2 configuration may be employed for the qualitative description of the general structure of the U3+ ion f-d spectrum. PMID:16839023

  11. A new on-axis micro-spectrophotometer for combining Raman, fluorescence and UV/Vis absorption spectroscopy with macromolecular crystallography at the Swiss Light Source

    PubMed Central

    Pompidor, Guillaume; Dworkowski, Florian S. N.; Thominet, Vincent; Schulze-Briese, Clemens; Fuchs, Martin R.

    2013-01-01

    The combination of X-ray diffraction experiments with optical methods such as Raman, UV/Vis absorption and fluorescence spectroscopy greatly enhances and complements the specificity of the obtained information. The upgraded version of the in situ on-axis micro-spectrophotometer, MS2, at the macromolecular crystallography beamline X10SA of the Swiss Light Source is presented. The instrument newly supports Raman and resonance Raman spectroscopy, in addition to the previously available UV/Vis absorption and fluorescence modes. With the recent upgrades of the spectral bandwidth, instrument stability, detection efficiency and control software, the application range of the instrument and its ease of operation were greatly improved. Its on-axis geometry with collinear X-ray and optical axes to ensure optimal control of the overlap of sample volumes probed by each technique is still unique amongst comparable facilities worldwide and the instrument has now been in general user operation for over two years. PMID:23955041

  12. Robust and economical multi-sample, multi-wavelength UV/vis absorption and fluorescence detector for biological and chemical contamination

    NASA Astrophysics Data System (ADS)

    Lu, Peter J.; Hoehl, Melanie M.; Macarthur, James B.; Sims, Peter A.; Ma, Hongshen; Slocum, Alexander H.

    2012-09-01

    We present a portable multi-channel, multi-sample UV/vis absorption and fluorescence detection device, which has no moving parts, can operate wirelessly and on batteries, interfaces with smart mobile phones or tablets, and has the sensitivity of commercial instruments costing an order of magnitude more. We use UV absorption to measure the concentration of ethylene glycol in water solutions at all levels above those deemed unsafe by the United States Food and Drug Administration; in addition we use fluorescence to measure the concentration of d-glucose. Both wavelengths can be used concurrently to increase measurement robustness and increase detection sensitivity. Our small robust economical device can be deployed in the absence of laboratory infrastructure, and therefore may find applications immediately following natural disasters, and in more general deployment for much broader-based testing of food, agricultural and household products to prevent outbreaks of poisoning and disease.

  13. 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).

  14. Copper Uptake, Intracellular Localization, and Speciation in Marine Microalgae Measured by Synchrotron Radiation X-ray Fluorescence and Absorption Microspectroscopy.

    PubMed

    Adams, Merrin S; Dillon, Carolyn T; Vogt, Stefan; Lai, Barry; Stauber, Jennifer; Jolley, Dianne F

    2016-08-16

    Metal toxicity to aquatic organisms depends on the speciation of the metal and its binding to the critical receptor site(s) (biotic ligand) of the organism. The intracellular nature of the biotic ligand for Cu in microalgal cells was investigated using the high elemental sensitivity of microprobe synchrotron radiation X-ray fluorescence (SR-XRF) and X-ray absorption near-edge spectroscopy (XANES). The marine microalgae, Ceratoneis closterium, Phaeodactylum tricornutum, and Tetraselmis sp. were selected based on their varying sensitivities to Cu (72-h 50% population growth inhibitions of 8-47 μg Cu/L). Intracellular Cu in control cells was similar for all three species (2.5-3.2 × 10(-15) g Cu/cell) and increased 4-fold in C. closterium and Tetraselmis sp. when exposed to copper, but was unchanged in P. tricornutum (72-h exposure to 19, 40, and 40 μg Cu/L, respectively). Whole cell microprobe SR-XRF identified endogenous Cu in the central compartment (cytoplasm) of control (unexposed) cells. After Cu exposure, Cu was colocated with organelles/granules dense in P, S, Ca, and Si and this was clearly evident in thin sections of Tetraselmis sp. XANES indicated coexistence of Cu(I) and Cu(II) in control and Cu-exposed cells, with the Cu ligand (e.g., phytochelatin) in P. tricornutum different from that in C. closterium and Tetraselmis sp. This study supports the hypothesis that Cu(II) is reduced to Cu(I) and that polyphosphate bodies and phytochelatins play a significant role in the internalization and detoxification of Cu in marine microalgae. PMID:27437565

  15. Intercomparison of OH Radical Measurements by Long-Path Absorption and Laser Induced Fluorescence in the Atmosphere Simulation Chamber SAPHIR

    NASA Astrophysics Data System (ADS)

    Dorn, H.-P.; Brauers, T.; Greif, J.; Häseler, R.; Hofzumahaus, A.; Holland, F.; Rupp, L.

    2003-04-01

    A striking advantage of the SAPHIR chamber is the availability of two spectroscopic detection instruments for OH radicals: Laser-Induced Fluorescence Spectroscopy (LIF) and Long-Path Differential Optical Laser Absorption Spectroscopy (DOAS). Both instruments have already been compared in 1994 during the field measurement campaign POPCORN. They agreed well with a correlation coefficient of r=0.90 and a weighted linear fit with a slope of 1.09 +- 0.12. However, OH measurements in the simulation chamber differ significantly from measurements in ambient air. While DOAS measures OH as an integral value along the central longitudinal axis of SAPHIR, LIF samples the air locally and close (2 cm) to the floor of the chamber. Thus, the LIF measurements might be possibly affected by local concentration gradients caused by insufficient mixing of the chamber air or by deposition to the wall. On the other hand, if turbulent mixing of the chamber air is weak and high concentrations of ozone are used in experiments, the DOAS instrument might be subject to artificial formation of OH radicals in the air volume which is illuminated by the detection laser. This interference results from laser induced photolysis of ozone and the subsequent reaction of water vapor with the excited oxygen atoms formed. Thus it is of decisive importance to compare OH measurements from both instruments in order to investigate potential disturbing effects due to the specific sampling properties of both instruments within SAPHIR. We report on OH measurements accomplished simultaneously with both instruments using different trace gas compositions and experimental conditions.

  16. Intramolecular charge transfer with the planarized 4-cyanofluorazene and its flexible counterpart 4-cyano-N-phenylpyrrole. Picosecond fluorescence decays and femtosecond excited-state absorption.

    PubMed

    Druzhinin, Sergey I; Kovalenko, Sergey A; Senyushkina, Tamara A; Demeter, Attila; Machinek, Reinhard; Noltemeyer, Mathias; Zachariasse, Klaas A

    2008-09-11

    The fluorescence spectrum of the rigidified 4-cyanofluorazene (FPP4C) in n-hexane consists of a dual emission from a locally excited (LE) and an intramolecular charge-transfer (ICT) state, with an ICT/LE fluorescence quantum yield ratio of Phi'(ICT)/Phi(LE) = 3.3 at 25 degrees C. With the flexible 4-cyano- N-phenylpyrrole (PP4C) in n-hexane, such an ICT reaction also takes place, with Phi'(ICT)/Phi(LE) = 1.5, indicating that for this reaction, a perpendicular twist of the pyrrole and benzonitrile moieties is not required. The ICT emission band of FPP4C and PP4C in n-hexane has vibrational structure, but a structureless band is observed in all other solvents more polar than the alkanes. The enthalpy difference Delta H of the LE --> ICT reaction in n-hexane, -11 kJ/mol for FPP4C and -7 kJ/mol for PP4C, is determined by analyzing the temperature dependence of Phi'(ICT)/Phi(LE). Using these data, the energy E(FC,ICT) of the Franck-Condon ground state populated by the ICT emission is calculated, 41 (FPP4C) and 40 kJ/mol (PP4C). These large values for E(FC,ICT) lead to the conclusion that with FPP4C and PP4C, direct ICT excitation, bypassing LE, does not take place. FPP4C has an ICT dipole moment of 15 D, similar to that of PP4C (16 D). Picosecond fluorescence decays allow the determination of the ICT lifetime, from which the radiative rate constant k'(f)(ICT) is derived, with comparable values for FPP4C and PP4C. This shows that an argument for a twisted ICT state of PP4C cannot come from k'(f)(ICT). After correction for the solvent refractive index and the energy of the emission maximum nu(max)(ICT), it appears that k'(f)(ICT) is solvent-polarity-independent. Femtosecond transient absorption with FPP4C and PP4C in n-hexane reveals that the ICT state is already nearly fully present at 100 fs after excitation, in rapid equilibrium with LE. In MeCN, the ICT state of FPP4C and PP4C is likewise largely developed at this delay time, and the reaction is limited by dielectric

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

    NASA Astrophysics Data System (ADS)

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

    2016-06-01

    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.

  18. 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. PMID:27334183

  19. FRET enhanced fluorescent nanodiamonds.

    PubMed

    Fudala, Rafal; Raut, Sangram; Maliwal, Badri P; Zerda, T W; Gryczynski, Ignacy; Simanek, Eric; Borejdo, Julian; Rich, Ryan; Akopova, Irina; Gryczynski, Zygmunt

    2014-01-01

    Fluorescent nanodiamonds (FNDs) are one of the new and very promising biocompatible nanomaterials that can be used both as a fluorescence imaging agent and a highly versatile platform for controlled functionalization to target and deliver a wide spectrum of therapeutic agents. Among the remarkable fluorescence properties are excellent photostability, emission between 600-700nm, quantum yield of 1 and moderately long fluorescence lifetimes. However the low absorption cross section of fluorescent (N-V)(-) centers limits FNDs' brightness. In this work we show that an approach based on the Forster resonance energy transfer (FRET) may significantly enhance the fluorescence signal observed from a single ND. We demonstrate that organic dyes (fluorophores) attached to the FND surface can efficiently transfer the excitation energy to (N-V)(-) centers. Multiple dyes positioned in close proximity to the ND facile surface may serve as harvesting antennas transferring excitation energy to the fluorescent centers. We propose that, with the help of some of the functional groups present on the FND surface, we can either directly link flurophores or use scalable dendrimer chemistry to position many organic dyes at a calibrated distance. Also, the remaining multiple functional groups will be still available for particle targeting and drug delivery. This opens a new way for designing a new type of theranostics particles of ultrahigh brightness, high photostability, specific targeting, and high capacity for drug delivery. PMID:22394126

  20. Relative amplitudes of external satellites of superfine-structure multiplets in the saturated absorption spectrum of SiF4

    NASA Astrophysics Data System (ADS)

    Krylov, I. R.; Akulinin, D. A.; Chubykin, A. D.

    2015-08-01

    Variation of amplitudes of Doppler-free saturated absorption resonances as a result of changes in the gas pressure and power of light waves is studied theoretically and experimentally. The results of the investigation are used for the interpretation of weak satellites of superfine-structure multiplets in the spectrum related to tunnel transitions between energy states of a molecule corresponding to its rotation about equivalent symmetry axes. Relative amplitudes of satellites of the AFE and FEF multiplets of the superfine structure of the SiF4 molecule in the frequency tuning interval of a CO2 laser operating at the P(38) line of the 9.7-µm band are studied experimentally. It is confirmed that the variation of relative amplitudes of the satellites is caused mainly by the fact that the magnitudes of the self-induced transparency of the medium that are created by each light wave for itself are different for the main resonances of the multiplet and for their satellites. The discrepancy between the experimental and theoretical dependences of the relative amplitudes of the satellites upon variation of the gas pressure and power of light waves is analyzed. Based on the discovered discrepancy, it is suggested that molecular collisions with Bennett dip or peak transfer contribute to the formation of satellites of the FEF multiplet. Multiphoton processes participate in the formation of one of the multiplets of the FEF multiplet. It is suggested that the power of the light field partially lifts the ban on transitions participating in the formation of satellites of both studied multiplets. Processing of the experimental curves by the leastsquares method revealed spectrally unresolved satellites within the FEF multiplet, which represent crossover resonances between allowed and forbidden transitions. For these satellites, no additional dependence of the amplitude on the laser power or gas pressure was found. The dependence of the amplitude of these satellites is completely

  1. The fluorescence detection of glutathione by ∙OH radicals' elimination with catalyst of MoS2/rGO under full spectrum visible light irradiation.

    PubMed

    Zhang, Nan; Ma, Weiguang; Han, Dongxue; Wang, Lingnan; Wu, Tongshun; Niu, Li

    2015-11-01

    In this study, a new method for the detection of glutathione (GSH) was designed based on the ∙OH radicals' elimination system due to the reducing ability of GSH for the first time. Fluorescence method with terephthalic acid (TA) as the probe was employed for the quantification of ∙OH radicals' production and elimination. Experimental conditions of ∙OH radicals' production were optimized in detail, and ∙OH radicals were found to be efficiently produced by the excellent catalysis performance of MoS2/rGO under full spectrum visible light irradiation. The introduction of GSH make fluorescent intensity decrease due to the elimination of ∙OH radicals. For the present fluorescence based GSH sensor, a wide detection range of 60.0-700.0 µM and excellent selectivity have been achieved. Furthermore, it has been successfully employed for the determination of GSH in commercial drug tablets and human serum. PMID:26452861

  2. 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.

  3. 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.

  4. Excitation/Detection Strategies for OH Planar Laser-Induced Fluorescence Measurements in the Presence of Interfering Fuel Signal and Absorption Effects

    NASA Technical Reports Server (NTRS)

    Heath, Christopher M.; Anderson, Robert C.; Hicks, Yolanda R.

    2011-01-01

    Planar laser-induced fluorescence (PLIF) excitation/detection methods have been applied to obtain spatial distributions of the hydroxyl [OH] reacting intermediary and hydrocarbon [HC] primary species in laminar and turbulent combustion reactions. In this report, broadband and narrowband excitation/filtering techniques are explored to identify an optimal experimental configuration yielding significant fluorescent signal with low absorption losses. The combustion environments analyzed include 1) a laminar non-premixed methane/air flame and 2) a turbulent, non-premixed Jet-A/air fueled flame within a lean flame tube combustor. Hydrocarbon-based fuel and OH were excited via the R1 (1), R1(10) and R2(7) transitions of the A(sup 2)Epsilon(+) X(sup 2)pi(1,0) band using a broadband Nd:YAG pumped optical parametric oscillator (OPO) and narrowband Nd:YAG/dye laser with ultraviolet frequency extension (UVX) package. Variables tested for influence on fluorescent signal and absorption characteristics were excitation line, laser energy, exciting linewidth, combustion reactants, and test flow conditions. Results are intended to guide the transition from a dye/UVX laser to an OPO system for performing advanced diagnostics of low-emission combustion concepts.

  5. Determination of K shell absorption jump factors and jump ratios in the elements between Tm( Z = 69) and Os( Z = 76) by measuring K shell fluorescence parameters

    NASA Astrophysics Data System (ADS)

    Kaya, N.; Tıraşoğlu, E.; Apaydın, G.

    2008-04-01

    The K shell absorption jump factors and jump ratios have been measured in the elements between Tm ( Z = 69) and Os( Z = 76) without having any mass attenuation coefficient at the upper and lower energy branch of the K absorption edge. The jump factors and jump ratios for these elements have been determined by measuring K shell fluorescence parameters such as the total atomic absorption cross-sections, the K α X-ray production cross-sections, the intensity ratio of the K β and K α X-rays and the K shell fluorescence yields. We have performed the measurements for the calculations of these values in attenuation and direct excitation experimental geometry. The K X-ray photons are excited in the target using 123.6 keV gamma-rays from a strong 57Co source, and detected with an Ultra-LEGe solid state detector with a resolution 0.15 keV at 5.9 keV. The measured values have been compared with theoretical and others' experimental values. The results have been plotted versus atomic number.

  6. The impact of cell-specific absorption properties on the correlation of electron transport rates measured by chlorophyll fluorescence and photosynthetic oxygen production in planktonic algae.

    PubMed

    Blache, Ulrich; Jakob, Torsten; Su, Wanwen; Wilhelm, Christian

    2011-08-01

    Photosynthesis-irradiance (P-E)-curves describe the photosynthetic performance of autotrophic organisms. From these P-E-curves the photosynthetic parameters α-slope, P(max), and E(k) can be deduced which are often used to characterize and to compare different organisms or organisms in acclimation to different environmental conditions. Particularly, for in situ-measurements of P-E curves of phytoplankton the analysis of variable chlorophyll fluorescence proved its potential as a sensitive and rapid method. By using Chlorella vulgaris (Trebouxiophyceae), Nannochloropsis salina (Eustigmatophyceae), Skeletonema costatum and Cyclotella meneghiniana (Bacillariophyceae), the present study investigated the influence of cellular bio-optical properties on the correlation of the photosynthetic parameters derived from fluorescence-based P-E-curves with photosynthetic parameters obtained from the measurement of oxygen evolution. It is demonstrated that small planktonic algae show a wide range of cellular absorptivity which was subject to species-specifity, growth stage and environmental conditions, e.g. nutrient limitation. This variability in bio-optical properties resulted in a great deviation of relative electron transport rates (rETRs) from oxygen-based photosynthesis rates. Thus, the photosynthetic parameters α-slope and P(max) derived from rETRs strongly depend on the specific cellular absorptivity and cannot be used to compare the photosynthetic performance of cells with different optical properties. However, it was shown that E(k) is independent of cellular absorptivity and could be used to compare samples with unknown optical properties. PMID:21571541

  7. Towards the understanding at the molecular level of the structured-water absorption and fluorescence spectra: a fingerprint of π-stacked water

    NASA Astrophysics Data System (ADS)

    Segarra-Martí, Javier; Coto, Pedro B.; Rubio, Mercedes; Roca-Sanjuán, Daniel; Merchán, Manuela

    2013-07-01

    An intriguing absorption peak around ∼270 nm (4.59 eV) has been recurrently recorded in aqueous solutions of salts, sugars, amino acids, in the free-solute zone (exclusion zone) adjacent to various hydrophilic surfaces, as well as a transient in the conversion process of ice to water. The corresponding associated fluorescence has been observed in the interval 480-490 nm (2.58-2.53 eV). The spectroscopic features have been related to the presence of structured water but its nature remains incompletely understood. On the basis of high-level ab initio computations, the main absorption feature of structured water is assigned to the presence of two π-stacked ground-state water molecules, preferably non-hydrogen bonded, at relatively short intermolecular distances (around 2 Å). The lowest singlet excited state is characterised by an equilibrium distance of around 2 Å with a vertical absorption transition predicted at 4.5 eV. The excited π-stacked dimer has a large binding energy (∼1 eV). Therefore, near-ultraviolet light may favour the formation of structured water. Two relaxed side-hydrated π-stacked water molecules (a relaxed tetramer) constitute the smallest unique excimer-type fluorescent moiety consistent with the available experimental data.

  8. Base pairing enhances fluorescence and favors cyclobutane dimer formation induced upon absorption of UVA radiation by DNA.

    PubMed

    Banyasz, Akos; Vayá, Ignacio; Changenet-Barret, Pascale; Gustavsson, Thomas; Douki, Thierry; Markovitsi, Dimitra

    2011-04-13

    The photochemical properties of the DNA duplex (dA)(20)·(dT)(20) are compared with those of the parent single strands. It is shown that base pairing increases the probability of absorbing UVA photons, probably due to the formation of charge-transfer states. UVA excitation induces fluorescence peaking at ∼420 nm and decaying on the nanosecond time scale. The fluorescence quantum yield, the fluorescence lifetime, and the quantum yield for cyclobutane dimer formation increase upon base pairing. Such behavior contrasts with that of the UVC-induced processes. PMID:21417388

  9. Terbium chloride--aluminum chloride vapor system. I. Absorption and excitation spectra

    SciTech Connect

    Caird, J.A.; Carnall, W.T.; Hessler, J.P.; Williams, C.W.

    1981-01-15

    The absorption spectrum of the vapor complex formed at elevated temperatures between TbCl/sub 3/ and AlCl/sub 3/ has been measured in the region 20 000--50 000 cm/sup -1/. Oscillator strengths of f--f absorption bands below 37 000 cm/sup -1/ were determined. Strong absorption due to opposite parity 4f/sup 7/5d states was observed in the 37 000 to 50 000 cm/sup -1/ region with a peak molar absorptivity of approximately 500 l/mol cm. Significant additional absorption attributed to a molecular complex was also observed in this region. By measuring the excitation spectrum it was found that the molecular absorption does not appear to lead to fluorescence of the /sup 5/D/sub 4/ state. In contrast, absorption by the 4f/sup 7/5d states does result in strong /sup 5/D/sub 4/ fluorescence.

  10. Transmission and fluorescence X-ray absorption spectroscopy cell/flow reactor for powder samples under vacuum or in reactive atmospheres

    NASA Astrophysics Data System (ADS)

    Hoffman, A. S.; Debefve, L. M.; Bendjeriou-Sedjerari, A.; Ouldchikh, S.; Bare, Simon R.; Basset, J.-M.; Gates, B. C.

    2016-07-01

    X-ray absorption spectroscopy is an element-specific technique for probing the local atomic-scale environment around an absorber atom. It is widely used to investigate the structures of liquids and solids, being especially valuable for characterization of solid-supported catalysts. Reported cell designs are limited in capabilities—to fluorescence or transmission and to static or flowing atmospheres, or to vacuum. Our goal was to design a robust and widely applicable cell for catalyst characterizations under all these conditions—to allow tracking of changes during genesis and during operation, both under vacuum and in reactive atmospheres. Herein, we report the design of such a cell and a demonstration of its operation both with a sample under dynamic vacuum and in the presence of gases flowing at temperatures up to 300 °C, showing data obtained with both fluorescence and transmission detection. The cell allows more flexibility in catalyst characterization than any reported.

  11. A high-temperature in situ cell with a large solid angle for fluorescence X-ray absorption fine structure measurement.

    PubMed

    Murata, Naoyoshi; Kobayashi, Makoto; Okada, Yukari; Suzuki, Takuya; Nitani, Hiroaki; Niwa, Yasuhiro; Abe, Hitoshi; Wada, Takahiro; Mukai, Shingo; Uehara, Hiromitsu; Ariga, Hiroko; Takakusagi, Satoru; Asakura, Kiyotaka

    2015-03-01

    We present the design and performance of a high-temperature in situ cell with a large solid angle for fluorescence X-ray absorption fine structure (XAFS) spectra. The cell has a large fluorescence XAFS window (116 mm(ϕ)) near the sample in the cell, realizing a large half-cone angle of 56°. We use a small heater (25 × 35 mm(2)) to heat the sample locally to 873 K. We measured a Pt-SnO2 thin layer on a Si substrate at reaction conditions having a high activity. In situ measurement enables the analysis of the difference XAFS spectra between before and during the reaction to reveal the structure change during the operation. PMID:25832248

  12. Transmission and fluorescence X-ray absorption spectroscopy cell/flow reactor for powder samples under vacuum or in reactive atmospheres.

    PubMed

    Hoffman, A S; Debefve, L M; Bendjeriou-Sedjerari, A; Ouldchikh, S; Bare, Simon R; Basset, J-M; Gates, B C

    2016-07-01

    X-ray absorption spectroscopy is an element-specific technique for probing the local atomic-scale environment around an absorber atom. It is widely used to investigate the structures of liquids and solids, being especially valuable for characterization of solid-supported catalysts. Reported cell designs are limited in capabilities-to fluorescence or transmission and to static or flowing atmospheres, or to vacuum. Our goal was to design a robust and widely applicable cell for catalyst characterizations under all these conditions-to allow tracking of changes during genesis and during operation, both under vacuum and in reactive atmospheres. Herein, we report the design of such a cell and a demonstration of its operation both with a sample under dynamic vacuum and in the presence of gases flowing at temperatures up to 300 °C, showing data obtained with both fluorescence and transmission detection. The cell allows more flexibility in catalyst characterization than any reported. PMID:27475549

  13. Two-photon absorption laser induced fluorescence on O and O{sub 3} in a dc plasma for oxidation of aluminum

    SciTech Connect

    Knechten, K.; Kniknie, B.J.; Engeln, R.; Swagten, H.J.M.; Koopmans, B.; Sanden, M.C.M. van de; Jonge, W.J.M. de

    2004-11-01

    It has been conjectured that atomic oxygen and ozone can have a great influence on the plasma oxidation of ultrathin aluminum for magnetic tunnel junctions. In order to measure the density of O and ozone, two-photon absorption laser induced fluorescence measurements are performed in the dc glow plasma that is used for the oxidation process. It was found that ozone is much more abundantly present compared to atomic oxygen. Using in situ, real-time ellipsometry measurements, we prove that ozone is not directly involved in the oxidation process.

  14. Exploration of the two-photon excitation spectrum of fluorescent dyes at wavelengths below the range of the Ti:Sapphire laser.

    PubMed

    Trägårdh, J; Robb, G; Amor, R; Amos, W B; Dempster, J; McConnell, G

    2015-09-01

    We have studied the wavelength dependence of the two-photon excitation efficiency for a number of common UV excitable fluorescent dyes; the nuclear stains DAPI, Hoechst and SYTOX Green, chitin- and cellulose-staining dye Calcofluor White and Alexa Fluor 350, in the visible and near-infrared wavelength range (540-800 nm). For several of the dyes, we observe a substantial increase in the fluorescence emission intensity for shorter excitation wavelengths than the 680 nm which is the shortest wavelength usually available for two-photon microscopy. We also find that although the rate of photo-bleaching increases at shorter wavelengths, it is still possible to acquire many images with higher fluorescence intensity. This is particularly useful for applications where the aim is to image the structure, rather than monitoring changes in emission intensity over extended periods of time. We measure the excitation spectrum when the dyes are used to stain biological specimens to get a more accurate representation of the spectrum of the dye in a cell environment as compared to solution-based measurements. PMID:25946127

  15. 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.

  16. 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

  17. 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.

  18. Rotationally resolved à 2Πg←X˜2Πu electronic spectrum of triacetylene cation by frequency modulation absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Sinclair, Wayne E.; Pfluger, David; Linnartz, Harold; Maier, John P.

    1999-01-01

    The spectrum of the à 2Πg←X˜2Πu 000 band system of the triacetylene cation and isotopic derivatives DC6H+ and C6D2+ have been studied at Doppler-limited resolution using frequency modulation absorption spectroscopy. The ions were generated in a liquid-nitrogen-cooled hollow cathode discharge incorporated in a White cell. A discharge modulation in combination with the frequency modulation technique was used to enhance the detection sensitivity. Analyses of the rotational structure yield accurate rotational and spin-orbit interaction constants of triacetylene cation in the two electronic states and information on its geometry.

  19. Unusual non-fluorescent broad spectrum siderophore activity (SID EGYII) by Pseudomonas aeruginosa strain EGYII DSM 101801 and a new insight towards simple siderophore bioassay.

    PubMed

    Embaby, Amira M; Heshmat, Yasmin; Hussein, Ahmed

    2016-03-01

    Present study highlights an unusual non-fluorescent hydroxamate broad spectrum siderophore (SID EGYII) activity from Pseudomonas aeruginosa strain EGYII DSM 101801, a soil bacterial isolate, along with simple low cost effective siderophore bioassay. Detection of SID EGYII activity qualitatively was proved by masking this activity against Erwinia amylovora strain EGY1 DSM 101800, an indicator strain, in well-cut diffusion assay containing 100 µM FeCl3. SID EGYII activity was expressed quantitatively as arbitrary units [Siderophore arbitrary units (SAU)] 380 SAU/mL against E. amylovora strain EGY1 DSM 101800. Maximal SID EGYII activity was achieved upon growing P. aeruginosa strain EGYII DSM 101801 in PYB broth at 180 rpm for 24 h. SID EGYII displayed a broad spectrum antimicrobial activity against some human pathogens (i.e., Gram-positive bacteria, Gram-negative bacteria and yeasts) and a fireblight plant pathogen. Interestingly, transformants of Escherichia coli JM109 (DE3)pSID/EGYII harboring P. aeruginosa strain EGYII DSM 101801 plasmid demonstrated a perceivable antimicrobial activity against E. amylovora strain EGY1 DSM 101800. The broad spectrum antimicrobial activity of the unusual non-fluorescent SID EGYII would underpin its high potential in targeting bacterial pathogens posing probable threats to human health and agricultural economy. The present simple low cost effective bioassay is a new insight towards an alternative to the expensive cumbersome siderophore Chrome Azurol S assay. PMID:27015845

  20. Multiphoton excitation of fluorescent DNA base analogs

    NASA Astrophysics Data System (ADS)

    Katilius, Evaldas; Woodbury, Neal W.

    2006-07-01

    Multiphoton excitation was used to investigate properties of the fluorescent DNA base analogs, 2-aminopurine (2AP) and 6-methylisoxanthopterin (6MI). 2-aminopurine, a fluorescent analog of adenine, was excited by three-photon absorption. Fluorescence correlation measurements were attempted to evaluate the feasibility of using three-photon excitation of 2AP for DNA-protein interaction studies. However, high excitation power and long integration times needed to acquire high signal-to-noise fluorescence correlation curves render three-photon excitation FCS of 2AP not very useful for studying DNA base dynamics. The fluorescence properties of 6-methylisoxanthopterin, a guanine analog, were investigated using two-photon excitation. The two-photon absorption cross-section of 6MI was estimated to be about 2.5×10-50 cm4s (2.5 GM units) at 700 nm. The two-photon excitation spectrum was measured in the spectral region from 700 to 780 nm; in this region the shape of the two-photon excitation spectrum is very similar to the shape of single-photon excitation spectrum in the near-UV spectral region. Two-photon excitation of 6MI is suitable for fluorescence correlation measurements. Such measurements can be used to study DNA base dynamics and DNA-protein interactions over a broad range of time scales.

  1. Design and daytime performance of laser-induced fluorescence spectrum lidar for simultaneous detection of multiple components, dissolved organic matter, phycocyanin, and chlorophyll in river water.

    PubMed

    Saito, Yasunori; Kakuda, Kei; Yokoyama, Mizuho; Kubota, Tomoki; Tomida, Takayuki; Park, Ho-Dong

    2016-08-20

    In this work, we developed mobile laser-induced fluorescence spectrum (LIFS) lidar based on preliminary experiments on the excitation emission matrix of a water sample and a method for reducing solar background light using the synchronous detection technique. The combination of a UV short-pulse laser (355 nm, 6 ns) for fluorescence excitation with a 10-100 ns short-time synchronous detection using a gated image-intensified multi-channel CCD of the fluorescence made the LIFS lidar operation possible even in daytime. The LIFS lidar with this construction demonstrated the potential of natural river/lake water quality monitoring at the Tenryu River/Lake Suwa. Three main components in the fluorescence data of the water, dissolved organic matter, phycocyanin, and chlorophyll, were extracted by spectral analysis using the standard spectral functions of these components. Their concentrations were estimated by adapting experimentally calibrated data. Results of long-term field observations using our LIFS lidar from 2010 to 2012 show the necessity of simultaneous multi-component detection to understand the natural water environment. PMID:27556995

  2. Palus Somni - Anomalies in the correlation of Al/Si X-ray fluorescence intensity ratios and broad-spectrum visible albedos. [lunar surface mineralogy

    NASA Technical Reports Server (NTRS)

    Clark, P. E.; Andre, C. G.; Adler, I.; Weidner, J.; Podwysocki, M.

    1976-01-01

    The positive correlation between Al/Si X-ray fluorescence intensity ratios determined during the Apollo 15 lunar mission and a broad-spectrum visible albedo of the moon is quantitatively established. Linear regression analysis performed on 246 1 degree geographic cells of X-ray fluorescence intensity and visible albedo data points produced a statistically significant correlation coefficient of .78. Three distinct distributions of data were identified as (1) within one standard deviation of the regression line, (2) greater than one standard deviation below the line, and (3) greater than one standard deviation above the line. The latter two distributions of data were found to occupy distinct geographic areas in the Palus Somni region.

  3. Prediction of BOD, COD, and Total Nitrogen Concentrations in a Typical Urban River Using a Fluorescence Excitation-Emission Matrix with PARAFAC and UV Absorption Indices

    PubMed Central

    Hur, Jin; Cho, Jinwoo

    2012-01-01

    The development of a real-time monitoring tool for the estimation of water quality is essential for efficient management of river pollution in urban areas. The Gap River in Korea is a typical urban river, which is affected by the effluent of a wastewater treatment plant (WWTP) and various anthropogenic activities. In this study, fluorescence excitation-emission matrices (EEM) with parallel factor analysis (PARAFAC) and UV absorption values at 220 nm and 254 nm were applied to evaluate the estimation capabilities for biochemical oxygen demand (BOD), chemical oxygen demand (COD), and total nitrogen (TN) concentrations of the river samples. Three components were successfully identified by the PARAFAC modeling from the fluorescence EEM data, in which each fluorophore group represents microbial humic-like (C1), terrestrial humic-like organic substances (C2), and protein-like organic substances (C3), and UV absorption indices (UV220 and UV254), and the score values of the three PARAFAC components were selected as the estimation parameters for the nitrogen and the organic pollution of the river samples. Among the selected indices, UV220, C3 and C1 exhibited the highest correlation coefficients with BOD, COD, and TN concentrations, respectively. Multiple regression analysis using UV220 and C3 demonstrated the enhancement of the prediction capability for TN. PMID:22368505

  4. Time-Dependent Density Functional Theory Study of Low-Lying Absorption and Fluorescence Band Shapes for Phenylene-Containing Oligoacenes.

    PubMed

    Jun, Ye

    2015-12-24

    Low-lying band shapes of absorption and fluorescence spectra for a member of a newly synthesized family of phenylene-containing oligoacenes (POA 6) reported in J. Am. Chem. Soc. 2012 , 134 , 15351 are studied theoretically with two different approaches with TIPS-anthracene as a comparison. Underlying photophysics and exciton-phonon interactions in both molecules are investigated in details with the aid of the time-dependent density functional theory and multimode Brownian oscillator model. The first two low-lying excited-states of POA 6 were found to exhibit excitation characteristics spanning entire conjugated backbone despite the presence of antiaromatic phenylene section. Absorption and fluorescence spectra calculated from both time-dependent density functional theory and multimode Brownian oscillator model are shown to reach good agreement with experimental ones. The coupling between phonon modes and optical transitions is generally weak as suggested by the multimode Brownian oscillator model. Broader peaks of POA 6 spectra are found to relate to stronger coupling between low frequency phonon modes such as backbone twisting (with frequency <300 cm(-1)) and optical transitions. Furthermore, POA 6 exhibits weaker exciton-phonon coupling for the phonon modes above 1000 cm(-1) compared to TIPS-anthracene owing to extended conjugated backbone. A significant coupling between an in-plane breathing mode localized around the antiaromatic phenylene segment with frequency at 1687 cm(-1) and optical transitions for the first two excited-states of POA 6 is also observed. PMID:26611665

  5. Absorption and fluorescence properties of the eastern Bering Sea in the summer with special reference to the influence of a Cold Pool

    NASA Astrophysics Data System (ADS)

    D'Sa, E. J.; Goes, J. I.; Gomes, H.; Mouw, C.

    2013-12-01

    The absorption and fluorescence properties of chromophoric dissolved organic matter (CDOM) are reported for the inner shelf, slope waters and outer shelf regions of the eastern Bering Sea during the summer of 2008, when a warm, thermally stratified surface mixed layer lay over a Cold Pool (< 2 °C) that occupied the entire middle shelf. CDOM absorption at 355 nm (ag355) and its spectral slope (S) in conjunction with excitation emission matrix (EEM) fluorescence and parallel factor analysis (PARAFAC) revealed large variability in the characteristics of CDOM in different regions of the Bering Sea. PARAFAC analysis aided in the identification of three humic-like (components 1, 2 and 5) and two protein-like (a tyrosine-like component 3, and a tryptophan-like component 4) components. In the extensive shelf region, average absorption coefficients at 355 nm (ag355 m-1) and DOC concentrations (μM) were highest in the inner shelf (0.342 ± 0.11 m-1, 92.67 ± 14.60 μM) and lower in the middle (0.226 ± 0.05 m-1, 78.38 ± 10.64 μM) and outer (0.176 ± 0.05 m-1, 80.73 ± 18.11 μM) shelves, respectively. Mean spectral slopes S were elevated in the middle shelf (24.38 ± 2.25 μm-1) especially in the surface waters (26.87 ± 2.39 μm-1) indicating high rates of photodegradation in the highly stratified surface mixed layer, which intensified northwards in the northern middle shelf likely contributing to greater light penetration and to phytoplankton blooms at deeper depths. The fluorescent humic-like components 1, 2, and 5 were most elevated in the inner shelf most likely from riverine inputs. Measurements at depth in slope waters (> 250 m) revealed low values of ag355 (0.155 ± 0.03 m-1) and S (15.45 ± 1.78 μm-1) indicative of microbial degradation of CDOM in deep waters. DOC concentrations, however were not significantly different suggesting CDOM sources and sinks to be uncoupled from DOC. Along the productive "green belt" in the outer shelf/slope region, absorption and

  6. Absorption and fluorescence properties of chromophoric dissolved organic matter of the eastern Bering Sea in the summer with special reference to the influence of a cold pool

    NASA Astrophysics Data System (ADS)

    D'Sa, E. J.; Goes, J. I.; Gomes, H.; Mouw, C.

    2014-06-01

    The absorption and fluorescence properties of chromophoric dissolved organic matter (CDOM) are reported for the inner shelf, slope waters and outer shelf regions of the eastern Bering Sea during the summer of 2008, when a warm, thermally stratified surface mixed layer lay over a cold pool (< 2 °C) that occupied the entire middle shelf. CDOM absorption at 355 nm (ag355) and its spectral slope (S) in conjunction with excitation-emission matrix (EEM) fluorescence and parallel factor analysis (PARAFAC) revealed large variability in the characteristics of CDOM in different regions of the Bering Sea. PARAFAC analysis aided in the identification of three humic-like (components one, two and five) and two protein-like (a tyrosine-like component three, and a tryptophan-like component four) components. In the extensive shelf region, average absorption coefficients at 355 nm (ag355, m-1) and DOC concentrations (μM) were highest in the inner shelf (0.342 ± 0.11 m-1, 92.67 ± 14.60 μM) and lower in the middle (0.226 ± 0.05 m-1, 78.38 ± 10.64 μM) and outer (0.185 ± 0.05 m-1, 79.24 ± 18.01 μM) shelves, respectively. DOC concentrations, however were not significantly different, suggesting CDOM sources and sinks to be uncoupled from DOC. Mean spectral slopes S were elevated in the middle shelf (24.38 ± 2.25 μm-1) especially in the surface waters (26.87 ± 2.39 μm-1) indicating high rates of photodegradation in the highly stratified surface mixed layer, which intensified northwards in the northern middle shelf likely contributing to greater light penetration and to phytoplankton blooms at deeper depths. The fluorescent humic-like components one, two, and five were most elevated in the inner shelf most likely from riverine inputs. Along the productive "green belt" in the outer shelf/slope region, absorption and fluorescence properties indicated the presence of fresh and degraded autochthonous DOM. Near the Unimak Pass region of the Aleutian Islands, low DOC and ag355

  7. Investigating the light absorption in a single pass through the photoreceptor layer by means of the lipofuscin fluorescence.

    PubMed

    Prieto, Pedro M; McLellan, James S; Burns, Stephen A

    2005-07-01

    Reflection densitometry has been widely used to measure the density difference of the bleachable cone photopigments in human eyes. Most such measurements make a series of assumptions concerning the amount of scattered light to derive an estimate of the true cone photopigment density from the density difference measurements. The current study made three types of measurements of the light returning from the eye before and after bleaching: the amount of light returning in the "directed" reflection, which is a double-pass estimate of the cone photopigment density; the amount of light in undirected or diffuse reflection; and the amount of fluorescence from lipofuscin in the RPE, which provides a single-pass measurement of optical density difference. For a 1 deg foveally fixated field, the density difference estimates for the three measurements were 0.68, 0.21, and 0.22 respectively. The lipofuscin fluorescence was found to be unguided. The background density difference was non-negligible and very close to the single pass estimate from fluorescence. These measurements each involve potentially different pathways of light through the retina, and therefore place different constraints on models of these pathways. A simple model comparing the directional and the fluorescence optical densities produced retinal coverage estimates around 70-75%. Estimates of the shape factor of the single pass optical Stiles-Crawford effect were evaluated from the dark-adapted and bleached fluorescence measurements. The values were closer to those obtained from psychophysical methods than to the double pass optical Stiles-Crawford shape factors obtained directly from retinal reflectometry. PMID:15820514

  8. Study on the enhanced fluorescent spectrum of ciprofloxacin + Al(III) + La(III) + cetyltrimethylammonium bromide system and its application

    NASA Astrophysics Data System (ADS)

    Wei, Leilei; Li, Guirong; Li, Haipeng

    2010-05-01

    The fluorescence of ciprofloxacin (CIP) in HAc-NaAc buffer solution and the presence of cetyltrimethylammonium bromide (CTMAB) enhanced visibly with adding Al(III) and La(III). This enhanced fluorescence spectra were studied, and a new co-luminescence system of CIP + Al(III) + La(III) + CTMAB was discovered. There was a linear relationship between the enhanced fluorescence intensity and the concentration of CIP in the range of 0.50-80.2 μg l -1 under the optimized condition. A novel enhanced fluorescence method for the determination of trace CIP was established by using this co-luminescence system. The detection limit of the proposed method was 0.17 μg l -1 for CIP. This method is simple, rapid and sensitive. The CIP in milk samples were analyzed by the proposed method with satisfactory results. The relative standard deviation and the recovery were in ranges of 3.21-4.34% and 97.1-100.1%, respectively. The mechanism of the co-luminescence reaction and the reasons for fluorescence enhancement has been discussed.

  9. Contribution of a visual pigment absorption spectrum to a visual function: depth perception in a jumping spider

    PubMed Central

    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.

  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. 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.

  12. 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.

  13. Transient Absorption and Time-Resolved Fluorescence Studies of Solvated Ruthenium Di-Bipyridine Pseudo-Halide Complexes

    NASA Astrophysics Data System (ADS)

    Compton, R.; Weidinger, D.; Owrutsky, J. C.

    2012-06-01

    Time-resolved IR and fluorescence measurements were performed to probe the vibrational and electronic properties, respectively, of ruthenium di-bipyridine pseudo-halide (Ru(Bpy){_2}(X){_2} (where X = CN, N{_3} or NCS)) complexes. Vibrational energy relaxation (VER) times were determined for the complexes dissolved in dimethyl sulfoxide (DMSO) with a trend in VER time of NCS > CN > N{_3}. A similar trend and comparable absolute rates for NCS- and N3- were previously observed by our group and others for simple inorganic anions in solution, suggesting a minimal contribution due to complexation. Measurements of the VER time of the CN complex in various solvents provide VER times in ethanol (42.3 ps) and DMSO (53.3 ps), which shows that protic solvents promote the relaxation. Time-resolved fluorescence measurements indicate a strong ligand dependence, with a factor of five decrease in the excited electronic state decay time from the CN (215 ns) to the NCS (39 ns) complex. A solvent dependence of the CN complex reveals a nearly 3-fold increase in the fluorescence decay time from acetonitrile (70 ns) to DMSO (215 ns).

  14. Cell imaging by transient fluorescence detected infrared microscopy

    NASA Astrophysics Data System (ADS)

    Ohmori, Tsutomu; Sakai, Makoto; Ishihara, Miya; Kikuchi, Makoto; Fujii, Masaaki

    2008-02-01

    Transient fluorescence detected infrared (TFD-IR) microscopy was developed to overcome the diffraction limit of infrared (IR) light without a near-field system. This microscopic technique is based on TFD-IR spectroscopy, which converts information on IR absorption to fluorescence intensity by further electronic excitation of vibrationally excited molecules by a probing UV/visible light. Roots of Arabidopsis thaliana and living A549 cells with fluorescent dyes were chosen as samples. In the measurements using the TFD-IR microscope, tunable IR picosecond laser pulses were used in the wavelength range from 2700 to 3700 nm, corresponding to CH, NH, and OH stretching modes. Fluorescence images of the root cells of A. thaliana by the TFD-IR scheme were obtained with super-resolution compared with the resolution of conventional IR microscopy. The resolution is estimated to be less than 2.6 μm by fitting of a gaussian function. However, the TFD-IR images were dominated mainly by the fluorescent dyes because they were almost the same as a conventional fluorescence image. To investigate other contributions hidden by that of fluorescent dyes, we plotted the fluorescence intensity in several 5 μm squares at various IR wavelengths, called a TFD-IR spectrum. For root cells of A. thaliana, the TFD-IR spectra show shapes similar to those of a conventional IR absorption spectrum of the fluorescent dye. Therefore, the TFD-IR images are not due to the cellular components. For an A549 cell, the TFD-IR spectra were different from a conventional IR absorption spectrum of fluorescent dyes in the wavelength region shorter than 3100 nm. We speculate that the spectral difference is due to the cellular components, possibly assigned to the combination band related to amino groups of cellular components bonded covalently to the fluorescent dyes.

  15. VizieR Online Data Catalog: Absorption spectrum of the QSO PKS2126-158 (D'Odorico+ 1998)

    NASA Astrophysics Data System (ADS)

    D'Odorico, V.; Cristiani, S.; D'Odorico, S.; Fontana, A.; Giallongo, E.

    1997-10-01

    Spectra of the zem=3.268 quasar PKS 2126-158 have been obtai the wavelength range 430-662nm with a resolution R=27000 and an average signal to noise ratio s/n=25 per resolution element. 12 metal absorption systems have been identified, two of which were previously unknown. All the lines shortward of the Lymanα emission not identified as due to metals have been fitted as Lymanα and Lymanβ. We reported statistical analysis of this sample of lines. In particular, the two-point correlation function for metal systems has been computed. (1 data file).

  16. 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

    2016-01-01

    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

  17. 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

  18. Infrared fluorescence from PAHs in the laboratory

    NASA Technical Reports Server (NTRS)

    Cherchneff, Isabelle; Barker, John R.

    1989-01-01

    Several celestial objects, including UV rich regions of planetary and reflection nebulae, stars, H II regions, and extragalactic sources, are characterized by the unidentified infrared emission bands (UIR bands). A few years ago, it was proposed that polycyclic aromatic hydrocarbon species (PAHs) are responsible for most of the UIR bands. This hypothesis is based on a spectrum analysis of the observed features. Comparisons of observed IR spectra with lab absorption spectra of PAHs support the PAH hypothesis. An example spectrum is represented, where the Orion Bar 3.3 micron spectrum is compared with the absorption frequencies of the PAHs Chrysene, Pyrene, and Coronene. The laser excited 3.3 micron emission spectrum is presented from a gas phase PAH (azulen). The infrared fluorescence theory (IRF) is briefly explained, followed by a description of the experimental apparatus, a report of the results, and discussion.

  19. Laser-Induced Molecular Fluorescence: A Physical Chemistry Experiment.

    ERIC Educational Resources Information Center

    Tellinghuisen, Joel

    1981-01-01

    Describes a companion experiment to the experimental study of the di-iodide visible absorption spectrum. Experimental details, interpretation, and data analysis are provided for an analysis of the di-iodide fluorescence excited by a visible laser, using a Raman instrument. (CS)

  20. A HIRES Detection of NA I D Absorption in the Spectrum of the QSO PKS 2020-370 Due to the Galaxy Klemola 31A

    NASA Astrophysics Data System (ADS)

    Junkkarinen, V. T.; Barlow, T. A.

    1994-12-01

    By using the Keck telescope and HIRES spectrograph we have detected Na I D absorption lines in the spectrum of the QSO PKS 2020-370 (V = 17.5, z = 1.048) due to the galaxy Klemola 31A (z = 0.0288). The PKS 2020-370 line of sight is near an apparent spiral arm only 20" from the nucleus of Klemola 31A which corresponds to 17 kpc (H_o = 50 km s(-1) Mpc(-1) ). The spectrum of PKS 2020-370 has strong Ca II absorption lines (W_λ ~ 350 m Angstroms \\ for the K line) at the galaxy redshift (Boksenberg et al, 1980, ApJ, 242, L145), but previous attempts to detect Na I have resulted in upper limits (Boisse et al. 1988, A&A, 191, 193, Womble, 1992, thesis UCSD). We observed PKS 2020-370 with HIRES in May 1994 at a resolution of 8 km s(-1) FWHM for a total of 90 minutes. The Na I D doublet is detected with a total W_λ for the Na I 5891.6 Angstroms \\ (vac) absorption line of about 160 m Angstroms . The absorption appears as two main velocity components separated by 23 km s(-1) . The optically thin estimate for N(Na I) = 1.0 times 10(12) cm(-2) gives an estimated N(Ca II)/N(Na I) = 5. This value suggests that the gas in Klemola 31A along the QSO line of sight is ``halo like''. Along ``disk like'' lines of sight where Ca is thought to be depleted onto grains in our Galaxy, the N(Ca II)/N(Na I) ratio is usually small (<= 1). Other QSO--galaxy pairs often show disk like N(Ca II)/N(Na I) ratios when the line of sight intersects starlight at 25 mag per sq. arcsec (Womble, 1992 thesis UCSD). The PKS 2020-370 sightline is near the optical extent of Klemola 31A but the N(Ca II)/N(Na I) is consistent with the sightline passing through two clouds in the halo. This research has been supported in part by NASA NAS5--29293 and NAG5--1630.

  1. 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

  2. Liquid helium cryostat with internal fluorescence detection for x-ray absorption studies in the 2-6 keV energy region

    NASA Astrophysics Data System (ADS)

    McFarlane Holman, Karen L.; Latimer, Matthew J.; Yachandra, Vittal K.

    2004-06-01

    X-ray absorption spectroscopy (XAS) in the intermediate x-ray region (2-6 keV) for dilute biological samples has been limited because of detector/flux limitations and inadequate cryogenic instrumentation. We have designed and constructed a new tailpiece/sample chamber for a commercially available liquid helium cooled cryostat which overcomes difficulties related to low fluorescence signals by using thin window materials and incorporating an internal photodiode detector. With the apparatus, XAS data at the Cl, S, and Ca K edges have been collected on frozen solutions and biological samples at temperatures down to 60 K. A separate chamber has been incorporated for collecting room-temperature spectra of standard compounds (for energy calibration purposes) which prevents contamination of the cryostat chamber and allows the sample to remain undisturbed, both important concerns for studying dilute and radiation-sensitive samples.

  3. The O(3P) and N(4S) density measurement at 225 km by ultraviolet absorption and fluorescence in the Apollo-Soyuz test project

    NASA Technical Reports Server (NTRS)

    Kaufman, F.; Rawling, W. T.; Donahue, T. M.; Anderson, J. G.; Hudson, R. D.

    1976-01-01

    The densities of O(3P) and N(4S) at 225 km were determined during the Apollo Soyuz Test Project by a resonance absorption/fluorescence technique in which OI and NI line radiation produced and collimated on board the Apollo was reflected from the Soyuz back to the Apollo for spectral analysis. The two spacecraft maneuvered so that a range of observation angles of plus or minus 15 deg with respect to the normal to the orbital velocity vector was scanned. The measurements were made at night on two consecutive orbits at spacecraft separations of 150 and 500 m. The resulting relative counting rates as function of observation angle were compared to calculated values to determine the oxygen value. This value agrees with mass spectrometric measurements made under similar conditions. The nitrogen value is in good agreement with other measurements and suggests a smaller diurnal variation than is predicted by present models.

  4. Non-negative matrix factorization for the near real-time interpretation of absorption effects in elemental distribution images acquired by X-ray fluorescence imaging.

    PubMed

    Alfeld, Matthias; Wahabzada, Mirwaes; Bauckhage, Christian; Kersting, Kristian; Wellenreuther, Gerd; Barriobero-Vila, Pere; Requena, Guillermo; Boesenberg, Ulrike; Falkenberg, Gerald

    2016-03-01

    Elemental distribution images acquired by imaging X-ray fluorescence analysis can contain high degrees of redundancy and weakly discernible correlations. In this article near real-time non-negative matrix factorization (NMF) is described for the analysis of a number of data sets acquired from samples of a bi-modal α+β Ti-6Al-6V-2Sn alloy. NMF was used for the first time to reveal absorption artefacts in the elemental distribution images of the samples, where two phases of the alloy, namely α and β, were in superposition. The findings and interpretation of the NMF results were confirmed by Monte Carlo simulation of the layered alloy system. Furthermore, it is shown how the simultaneous factorization of several stacks of elemental distribution images provides uniform basis vectors and consequently simplifies the interpretation of the representation. PMID:26917147

  5. X-ray absorption fine structure combined with fluorescence spectrometry for monitoring trace amounts of lead adsorption in the environmental conditions.

    PubMed

    Izumi, Yasuo; Kiyotaki, Fumitaka; Minato, Taketoshi; Seida, Yoshimi

    2002-08-01

    The local structure of trace amounts of lead in an adsorbent matrix that contains a high concentration of iron and magnesium (Mg6Fe2(OH)16(CO3) x 3H2O) was successfully monitored by means of X-ray absorption fine structure spectroscopy combined with fluorescence spectrometry. A eutectic mixture of PbCO3 and Pb(OH)2 coagulated when Pb2+ was adsorbed from a 1.0 ppm aqueous solution, and in contrast, the major species was ion-exchanged Pb2+ in the case of adsorption from a 100 ppb aqueous solution. The difference was ascribed to the balance between the precipitation equilibrium for coagulation and the rate of the ion exchange reaction with surface hydroxyl groups. PMID:12175171

  6. A New Search for Carbon Monoxide Absorption in the Transmission Spectrum of the Extrasolar Planet HD 209458b

    NASA Astrophysics Data System (ADS)

    Deming, Drake; Brown, Timothy M.; Charbonneau, David; Harrington, Joseph; Richardson, L. Jeremy

    2005-04-01

    We have revisited the search for carbon monoxide absorption features in transmission during the transit of the extrasolar planet HD 209458b. In 2002 August-September we acquired a total of 1077 high-resolution spectra (λ/δλ~25,000) in the K-band (2 μm) wavelength region using NIRSPEC on the Keck II telescope during three transits. These data are more numerous and of better quality than the data analyzed in an initial search by Brown et al. Our analysis achieves a sensitivity sufficient to test the degree of CO absorption in the first-overtone bands during transit on the basis of plausible models of the planetary atmosphere. We analyze our observations by comparison with theoretical tangent geometry absorption spectra, computed by adding height-invariant ad hoc temperature perturbations to the model atmosphere of Sudarsky et al. and by treating cloud height as an adjustable parameter. We do not detect CO absorption. The strong 2-0 R-branch lines between 4320 and 4330 cm-1 have depths during transit less than 1.6 parts in 104 in units of the stellar continuum (3 σ limit) at a spectral resolving power of 25,000. Our analysis indicates a weakening similar to that found in the case of sodium, suggesting that a general masking mechanism is at work in the planetary atmosphere. Under the interpretation that this masking is provided by high clouds, our analysis defines the maximum cloud-top pressure (i.e., minimum height) as a function of the model atmospheric temperature. For the relatively hot model used by Charbonneau et al. to interpret their sodium detection, our CO limit requires cloud tops at or above 3.3 mbar, and these clouds must be opaque at a wavelength of 2 μm. High clouds comprised of submicron-sized particles are already present in some models but may not provide sufficient opacity to account for our CO result. Cooler model atmospheres, having smaller atmospheric scale heights and lower CO mixing ratios, may alleviate this problem to some extent

  7. 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.

  8. 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.

  9. A full-dimensional multilayer multiconfiguration time-dependent Hartree study on the ultraviolet absorption spectrum of formaldehyde oxide.

    PubMed

    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 B̃(1)A'←X̃(1)A' 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. PMID:25273439

  10. 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.

  11. 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.

  12. Absorption, fluorescence and second harmonic generation in Cr³⁺-doped BiB₃O₆ glasses.

    PubMed

    Kuznik, W; Fuks-Janczarek, I; Wojciechowski, A; Kityk, I V; Kiisk, V; Majchrowski, A; Jaroszewicz, L R; Brik, M G; Nagy, G U L

    2015-06-15

    Synthesis, spectral properties and photoinduced nonlinear optical effects of chromium-doped BiB3O6 glass are studied in the present paper. Absorption, excitation and time resolved luminescence spectra are presented and luminescence decay behavior is discussed. Detailed analysis of the obtained spectra (assignment of the most prominent spectral features in terms of the corresponding Cr(3+) energy levels, crystal field strength Dq, Racah parameters B and C) was performed. A weak photostimulated second harmonic generation signal was found to increase drastically due to poling by proton implantation in the investigated sample. PMID:25795605

  13. 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.

  14. [Characteristics of absorption and fluorescence spectra of dissolved organic matter from confluence of rivers: case study of Qujiang River-Jialing River and Fujiang River-Jialing River].

    PubMed

    Yan, Jin-Long; Jiang, Tao; Gao, Jie; Wei, Shi-Qiang; Lu, Song; Liu, Jiang

    2015-03-01

    Three-dimensional fluorescence spectroscopy combined with ultraviolet-visible (UV-Vis) absorption spectra was used to investigate the change characteristics of dissolved organic matter (DOM) in confluences water of Qujiang River-Jialing River and Fujiang River-Jialing River, respectively. The results suggested that DOM showed a significant terrestrial input signal in all the sampling sites, FI < 1.4, HIX > 0.8, possibly representing remarkable signals of humus resulted from humic-like component. Moreover, the mixing zone of this study showed a non-conservative mixed behavior, which had a limited contribution, and was not the dominant factor to interpret the change characteristics of DOM in confluences zones. Different land-use types along all the rivers had an obvious impact on DOM inputs. Results of cluster analysis showed that a higher degree of aromaticity and humification components was observed as the predominant contributor to DOM when the land-use type was forest and farmland ecosystem, for example the confluences of Qujiang River-Jialing River. On the other hand, high concentrations of DOM with relative simple structures were found in the water when the urban land-use type was predominant, for example the confluences of Fujiang River-Jialing River. Meanwhile, a new fluorescent signal of protein-like components (peak T) appeared, which manifested a significant effect on the water quality resulted from anthropogenic activities. PMID:25929053

  15. A setup for synchrotron-radiation-induced total reflection X-ray fluorescence and X-ray absorption near-edge structure recently commissioned at BESSY II BAMline.

    PubMed

    Fittschen, U; Guilherme, A; Böttger, S; Rosenberg, D; Menzel, M; Jansen, W; Busker, M; Gotlib, Z P; Radtke, M; Riesemeier, H; Wobrauschek, P; Streli, C

    2016-05-01

    An automatic sample changer chamber for total reflection X-ray fluorescence (TXRF) and X-ray absorption near-edge structure (XANES) analysis in TXRF geometry was successfully set up at the BAMline at BESSY II. TXRF and TXRF-XANES are valuable tools for elemental determination and speciation, especially where sample amounts are limited (<1 mg) and concentrations are low (ng ml(-1) to µg ml(-1)). TXRF requires a well defined geometry regarding the reflecting surface of a sample carrier and the synchrotron beam. The newly installed chamber allows for reliable sample positioning, remote sample changing and evacuation of the fluorescence beam path. The chamber was successfully used showing accurate determination of elemental amounts in the certified reference material NIST water 1640. Low limits of detection of less than 100 fg absolute (10 pg ml(-1)) for Ni were found. TXRF-XANES on different Re species was applied. An unknown species of Re was found to be Re in the +7 oxidation state. PMID:27140163

  16. AN Fe XXIV ABSORPTION LINE IN THE PERSISTENT SPECTRUM OF THE DIPPING LOW-MASS X-RAY BINARY 1A 1744-361

    SciTech Connect

    Gavriil, Fotis P.; Strohmayer, Tod E.; Bhattacharyya, Sudip

    2012-07-01

    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 v < 221 km s{sup -1}. We find an equivalent width for the line of 27{sup +2}{sub -3} eV, from which we determine a column density of (7 {+-} 1) Multiplication-Sign 10{sup 17} cm{sup -2} via a curve-of-growth analysis. Using XSTAR simulations, we place a lower limit on the ionization parameter of >10{sup 3.6} erg cm s{sup -1}. 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.

  17. Assignment and modeling of the absorption spectrum of 13CH4 at 80 K in the region of the 2ν3 band (5853-6201 cm-1)

    NASA Astrophysics Data System (ADS)

    Starikova, E.; Nikitin, A. V.; Rey, M.; Tashkun, S. A.; Mondelain, D.; Kassi, S.; Campargue, A.; Tyuterev, Vl. G.

    2016-07-01

    The absorption spectrum of the 13CH4 methane isotopologue has been recently recorded by Differential Absorption Spectroscopy (DAS) at 80 K in the 5853-6201 cm-1 spectral range. An empirical list of 3717 lines was constructed for this spectral range corresponding to the upper part of the Tetradecad dominated by the 2ν3 band near 5987 cm-1. In this work, we present rovibrational analyses of these spectra obtained via two theoretical approaches. Assignments of strong and medium lines were achieved with variational calculations using ab initio potential energy (PES) and dipole moment surfaces. For further analysis a non-empirical effective Hamiltonian (EH) of the methane polyads constructed by high-order Contact Transformations (CT) from an ab initio PES was employed. Initially predicted values of EH parameters were empirically optimized using 2898 assigned line positions fitted with an rms deviation of 5×10-3 cm-1. More than 1860 measured line intensities were modeled using the effective dipole transition moments approach with the rms deviation of about 10%. These new data were used for the simultaneous fit of the 13CH4 Hamiltonian parameters of the {Ground state/Dyad/Pentad/Octad/Tetradecad} system and the dipole moment parameters of the {Ground state-Tetradecad} system. Overall, 10 vibrational states and 28 vibration sublevels of the 13CH4 Tetradecad are determined. The comparison of their energy values with corresponding theoretical calculations is discussed.

  18. 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

  19. The fluorescence and infrared absorption probe para-cyanophenylalanine: Effect of labeling on the behavior of different membrane-interacting peptides.

    PubMed

    Bobone, Sara; De Zotti, Marta; Bortolotti, Annalisa; Biondi, Barbara; Ballano, Gema; Palleschi, Antonio; Toniolo, Claudio; Formaggio, Fernando; Stella, Lorenzo

    2015-09-01

    Total syntheses and complete characterizations of singly substituted PheCN -based analogs of alamethicin AlaP, which is active on model and natural membranes, and the TM peptide, which inserts in a transmembrane orientation in lipid bilayers, are reported. The syntheses of the AlaP analogs were performed in solution, while those of TM and its analogs were carried out by solid phase. Using the cyanophenyl fluorescence and infrared (IR) absorption probe, an in-depth investigation of the self-association, membrane-interacting, permeabilizing, and orientation properties of these peptides were conducted. The aromatic residue incorporated induces only a negligible modification to the properties of the parent peptides. The PheCN IR absorption band was located between 2228 and 2230 cm(-1) for all peptides, irrespective of the position of labeling. By contrast, as the width of this band varied significantly with the depth of probe insertion in the bilayer, it could represent a good marker of the PheCN position in phospholipid membranes. PMID:25968959

  20. Coumarin-based fluorescence hybrid silica material used for selective detection and absorption of Hg2+ in aqueous media

    NASA Astrophysics Data System (ADS)

    Meng, Qingtao; Jia, Hongmin; Wang, Cuiping; Zhao, Hongbin; Lu, Gonghao; Hu, Zhizhi; Zhang, Zhiqiang; Duan, Chunying

    2014-11-01

    An inorganic-organic hybrid fluorescence material (C-SBA-15) was prepared by covalent immobilization of a coumarin derivative within the channels of SBA-15. The characterization results of XRD, TEM micrographs, FT-IR and UV-vis demonstrate that coumarin is successfully grafted onto the inner surface of SBA-15 and its organized structure is preserved. C-SBA-15 can detect Hg2+ with high selectivity to Pb2+, Zn2+, Cu2+, Mn2+, Cd2+, Co2+, Ag+, Fe3+, Ni2+, K+, Na+, Ca2+, Mg2+ and Li+ in water. Furthermore, the fluorogenical response is reversible by treating with EDTA and do not vary over a broad pH range (5.0-10.5). C-SBA-15 features more outstanding absorbing capacity for Hg2+ among other HTM ions in water.

  1. The UV-visible absorption and fluorescence spectroscopy indicators for monitoring the evolution of green waste composts.

    NASA Astrophysics Data System (ADS)

    Mounier, Stéphane; Abaker, Madi; Domeizel, Mariane; Rapetti, Nicola

    2014-05-01

    The maturity process of compost goes through several phases that have to be monitored in order to optimize the production process which in turn assure a good quality product and less time consumption. In order to estimate rapidly the phase where the compost is present and to measure the cellulose, the ratio C:N and the Stability Index Organic Matter (ISMO) a crucial parameter that needs to be monitored and controlled is the temperature. However, the temperature is not really a good indicator for the maturity of the compost because it is not constant and it depends on the mixing and environmental processes. The final measurements are performed at the end of the production process after certain time period that is subjectively determined by the producer. The work presented here is based on the optical properties of the organic matter that are observed each month for a period of six months. The organic matter of 5 composts was extracted by water and analyzed by UV-VIS spectroscopic technique [1] and 3D fluorescence emission technique [2]. The usual indexes were calculated (E2/E3, E4/E6, EBZ/EET, SUVA254), but also the PARAFAC decomposition of the 3D fluorescence response by Milori [3] and the Hx indexes [4]. The comparison of these results and the cellulose composition with the corresponding ISMO index indicates that the maturity process occurs more rapidly then the expectation of the producers. Further, the combination of the indicators gives useful information about different processes that take place during the maturity of the compost such as aromatization, the condensation and the stabilization of the parameters.

  2. 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

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

    PubMed

    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

  4. Simulating a measurement of the 2nd knee in the cosmic ray spectrum with an atmospheric fluorescence telescope tower array.

    PubMed

    Liu, Jiali; Yang, Qunyu; Bai, Yunxiang; Cao, Zhen

    2014-01-01

    A fluorescence telescope tower array has been designed to measure cosmic rays in the energy range of 10(17)-10(18) eV. A full Monte Carlo simulation, including air shower production, light generation and propagation, detector response, electronics, and trigger system, has been developed for that purpose. Using such a simulation tool, the detector configuration, which includes one main tower array and two side-trigger arrays, 24 telescopes in total, has been optimized. The aperture and the event rate have been estimated. Furthermore, the performance of the X max technique in measuring composition has also been studied. PMID:24737964

  5. Simulating a Measurement of the 2nd Knee in the Cosmic Ray Spectrum with an Atmospheric Fluorescence Telescope Tower Array

    PubMed Central

    Liu, Jiali; Yang, Qunyu; Bai, Yunxiang; Cao, Zhen

    2014-01-01

    A fluorescence telescope tower array has been designed to measure cosmic rays in the energy range of 1017–1018 eV. A full Monte Carlo simulation, including air shower production, light generation and propagation, detector response, electronics, and trigger system, has been developed for that purpose. Using such a simulation tool, the detector configuration, which includes one main tower array and two side-trigger arrays, 24 telescopes in total, has been optimized. The aperture and the event rate have been estimated. Furthermore, the performance of the Xmax⁡ technique in measuring composition has also been studied. PMID:24737964

  6. 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. PMID:26832574

  7. High-resolution absorption spectrum of jet-cooled CH3Cl between 70 000 and 85 000 cm-1: New assignments

    NASA Astrophysics Data System (ADS)

    Cossart-Magos, Claudina; Jungen, Martin; Stalder, Joerg; Launay, Françoise

    2005-09-01

    The absorption spectrum of jet-cooled CH3Cl was photographed from 165to117nm (or 60000-85000cm-1, 7.5-10.5eV) at a resolution limit of 0.0008nm (0.3-0.6cm-1 or 0.04-0.08meV). Even in the best structured region of the spectrum, from 70000to85000cm-1 (8.7-10.5eV ), observed bandwidths (full width at half maximum) are large, from 50to150cm-1. No rotational feature could be resolved. The spectrum is dominated by two strong bands near 9eV, 140nm, the D and E bands of Mulliken [J. Chem. Phys. 8, 382 (1940)] or the spectral region D of Price [J. Chem. Phys.4, 539 (1936)]. Their relative intensity is incompatible with previous assignments, namely, to a triplet and a singlet state belonging to the same configuration. On the basis of the present ab initio calculations, those bands are now assigned to two singlet states, the A11 and E1 excited states resulting from the 2e34pe Rydberg configuration. The present calculations also reveal that the two E1 states issued from 2e34sa1 and 2e34pa1 are quasidegenerate and strongly mixed. They should be assigned to the two broad bands near 8eV, 160nm, the B and C bands of Mulliken and Price. Three vibrational modes are observed to be active: the CCl bond stretch ν3(a1), and the CH3 umbrella and rocking vibrations, respectively, ν2(a1) and ν6(e ). The fundamental frequencies deduced are well within the ranges defined by the corresponding values in the neutral and ion ground states. The possibility of a dynamical Jahn-Teller effect induced by the ν6(e) vibrational mode in the E1 Rydberg states is discussed.

  8. 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

  9. A Fluorescence Lecture Demonstration.

    ERIC Educational Resources Information Center

    Bozzelli, Joseph W.; Kemp, Marwin

    1982-01-01

    Describes fluorescence demonstrations related to several aspects of molecular theory and quantitized energy levels. Demonstrations use fluorescent chemical solutions having luminescence properties spanning the visible spectrum. Also describes a demonstration of spontaneous combustion of familiar substances in chlorine. (JN)

  10. Infrared absorption spectrum of free carriers in polar semiconductors. Progress report, July 1, 1979-June 30, 1980

    SciTech Connect

    Jensen, B.

    1980-02-01

    The Drude Zener theory of the absorption of high frequency radiation by free carriers (inverse bremsstrahlung) has been extended into the quantum region (h-bar omega > k/sub 0/T) in terms of a frequency dependent relaxation time which predicts the dc mobility in the quasiclassical limit. Numerical calculations of the frequency and concentration dependent electron scattering rate have been completed for InP, InAs, Ga/sub 0/ /sub 47/In/sub 0/ /sub 53/As, and previous results for GaAs extended to high carrier concentrations. When starting from a quantum statistical theory, the fact that n/sub q/oh-bar omega ..-->.. k/sub 0/T at low frequencies can be used to prevent the divergence of the coulomb scattering rate without inclusion of a screening radius. A result containing no adjustable parameters is found which predicts a mobility for uncompensated samples that decreases strongly at high concentrations. This has been observed in GaAs, and is not accounted for by the usual dc calculation which assumes h-bar omega = 0 and a screening parameter. Calculated results for GaAs are in good agreement with experimental measurements of the mobility which are found to be independent of a wide variety of conditions of material preparation. This indicates that disagreement with previous theoretical calculations was not due to compensation. Calculations for ZnSe and further investigation of the modification of the optical constants by the presence of an intense laser field and by a static magnetic field are currently planned.

  11. Theoretical analysis of the two-photon absorption spectrum of Tb3+ in Cs2NaTbCl6

    NASA Astrophysics Data System (ADS)

    Wang, Dianyuan; Ning, Lixin; Xia, Shangda; Tanner, Peter A.

    2003-05-01

    Eighteen selected two-photon absorption (TPA) transition line strengths with polarization angles theta = 0° and 45°, spanning several orders of magnitude, have been calculated for the Tb3+ ion in the cubic host Cs2NaTbCl6. The results are in reasonable agreement with experimental results in the literature. The calculation utilized the crystal field (CF) wavefunctions for the initial and final states of the 4f8 configuration, and utilized free ion or CF wavefunctions (with the corresponding energies) for 4f7 core states of the whole intermediate 4f7 5d configuration comprising 34 320 states. The intensities of certain transitions were found to be very sensitive to the inclusion of the CF interaction within the 4f7 core. In contrast to previous fourth- or third-order calculations of the TPA transition line strength of the strong transition (7F 6)A1g rightarrow (5D 4)A1g using pure Russell-Saunders (RS) wavefunctions for the |7F 6 rangle initial and langle5D 4 | final states, our second-order direct calculation shows that the admixed RS wavefunctions |[7F 6 ]rangle and langle[5D 4 ]| must be used to account for its high intensity. The effects of CF interactions within the 4f7 core, i.e. J-mixing and CF energy level splitting, upon the (7F 6)A1g rightarrow (5D 4)Eg TPA transition line strength have been separated, and the latter effect is shown to be more important for the transition investigated.

  12. Ultraviolet absorption and luminescence of matrix-isolated adenine

    SciTech Connect

    Polewski, K.; Sutherland, J.; Zinger, D.; Trunk, J.

    2011-10-01

    We have investigated the absorption, the fluorescence and phosphorescence emission and the fluorescence lifetimes of adenine in low-temperature argon and nitrogen matrices at 15 K. Compared to other environments the absorption spectrum shows higher intensity at the shortest wavelengths, and a weak apparent absorption peak is observed at 280 nm. The resolved fluorescence excitation spectrum has five peaks at positions corresponding to those observed in the absorption spectrum. The position of the fluorescence maximum depends on the excitation wavelength. Excitation below 220 nm displays a fluorescence maximum at 305 nm, while for excitations at higher wavelengths the maximum occurs at 335 nm. The results suggest that multiple-emission excited electronic states are populated in low-temperature gas matrices. Excitation at 265 nm produces a phosphorescence spectrum with a well-resolved vibrational structure and a maximum at 415 nm. The fluorescence decays corresponding to excitation at increasing energy of each resolved band could be fit with a double exponential, with the shorter and longer lifetimes ranging from 1.7 to 3.3 ns and from 12 to 23 ns, respectively. Only for the excitation at 180 nm one exponential is required, with the calculated lifetimes of 3.3 ns. The presented results provide an experimental evidence of the existence of multiple site-selected excited electronic states, and may help elucidate the possible deexcitation pathways of adenine. The additional application of synchrotron radiation proved to result in a significant enhancement of the resolution and spectral range of the phenomena under investigation.

  13. A Fluorescent Source NDIR Carbon Monoxide Analyzer

    NASA Technical Reports Server (NTRS)

    Link, W. T.; McClatchie, E. A.; Watson, D. A.; Compher, A. B.

    1971-01-01

    This paper describes a new technique for measuring trace quantities of carbon monoxide by the nondispersive infrared (NDIR) methods. The technique uses the property of infrared fluorescence in a gas to generate a specific source of radiation which is an exact match of the absorption spectrum of the fundamental band of carbon monoxide. This results in an instrument with high sensitivity and specificity for CO. A novel method of referencing using an isotopic species of CO confers great stability on the instrument.

  14. X-ray fluorescence spectrum of highly charged Fe ions driven by strong free-electron-laser fields

    NASA Astrophysics Data System (ADS)

    Oreshkina, Natalia S.; Cavaletto, Stefano M.; Keitel, Christoph H.; Harman, Zoltán

    2016-05-01

    The influence of nonlinear dynamical effects is analyzed on the observed spectra of controversial 3C and 3D astrophysically relevant x-ray lines in neonlike Fe{}16+ and the A, B, and C lines in natriumlike Fe{}15+ ions. First, a large-scale configuration-interaction calculation of oscillator strengths is performed with the inclusion of higher-order electron-correlation effects. Also, quantum-electrodynamic corrections to the transition energies are calculated. Further considered dynamical effects provide a possible resolution of the discrepancy between theory and experiment found by recent x-ray free-electron-laser measurements of these controversial lines. We find that, for strong x-ray sources, the modeling of the spectral lines by a peak with an area proportional to the oscillator strength is not sufficient and nonlinear dynamical effects have to be taken into account. Thus, we advocate the use of light–matter-interaction models also valid for strong light fields in the analysis and interpretation of the associated astrophysical and laboratory spectra. We investigate line-strength ratios distinguishing between the coherent and incoherent parts of the emission spectrum. In addition, the spectrum of Fe{}15+, an autoionizing ion which was also present in the recent laboratory experiment, is analyzed as well.

  15. Optical absorption and fluorescence properties of Er{sup 3+}/Yb{sup 3+} codoped lead bismuth alumina borate glasses

    SciTech Connect

    Goud, K. Krishna Murthy Reddy, M. Chandra Shekhar Rao, B. Appa

    2014-04-24

    Lead bismuth alumina borate glasses codoped with Er{sup 3+}/Yb{sup 3+} were prepared by melt quenching technique. Optical absorption, FTIR and photoluminescence spectra of these glasses have been studied. Judd-Ofelt theory has been applied to to the f ↔ f transitions for evaluating Ω{sub 2}, Ω{sub 4} and Ω{sub 6} parameters. Radiative properties like branching ratio β{sub r} and the radiative life time τ{sub R} have been determined on the basis of Judd-Ofelt theory. Upconversion emissions have been observed under 980nm laser excitation at room temperature. Green and red up-conversion emissions are centered at 530, 550 and 656 nm corresponding to {sup 2}H{sub 11/2}→{sup 4}I{sub 15/2}, {sup 4}S{sub 3/2}→{sup 4}I{sub 15/2} and {sup 4}F{sub 9/2}→{sup 4}I{sub 15/2} transitions of Er{sup 3+} respectively. The results obtained are discussed quantitatively based on the energy transfer between Yb{sup 3+} and Er{sup 3+}.

  16. Uranium and nitrate remote sensing in the nuclear fuel cycle by time-resolved laser-induced fluorescence

    NASA Astrophysics Data System (ADS)

    Moulin, Christophe; Couston, Laurent; Decambox, Pierre; Mauchien, Patrick; Pouyat, Dominique

    1994-12-01

    Time-Resolved Laser-Induced Fluorescence has been used for uranium and nitrate remote sensing in the nuclear fuel cycle. Advantages of this technique are aside sensitivity and selectivity, its ability to perform remote measurements via fiber optics and optode. Uranium is usually determined by the standard addition method but by applying a fluorescence model taking into account complexation and absorption phenomena, it is possible to directly determine uranium concentration. Nitrate concentration is determined after spectral deconvolution of the uranium fluorescence spectrum.

  17. Application of inherent fluorescence in the diagnosis of early cancer

    NASA Astrophysics Data System (ADS)

    Yu, Zhen-Fen

    1998-11-01

    There are differences in molecular structure between cancer, ulcer and normal tissue. They have their own specific absorb structures, which result in the highly specificity in the absorption of radiation. When laser light with specific wavelength irradiates on cancer or normal tissue, the inherent fluorescence of them can be stimulated. With the help of specific instrument, the curve of spectrum can be drawn. The various fluorescence peak value of cancerous and normal tissue can be used to differentiate between the two. The instruments used include some kinds of the most advanced technologies in nowadays, such as current laser, photoelectron, computer, microptic rapid spectrum analysis.

  18. Improving x-ray fluorescence signal for benchtop polychromatic cone-beam x-ray fluorescence computed tomography by incident x-ray spectrum optimization: A Monte Carlo study

    SciTech Connect

    Manohar, Nivedh; Cho, Sang Hyun

    2014-10-15

    Purpose: To develop an accurate and comprehensive Monte Carlo (MC) model of an experimental benchtop polychromatic cone-beam x-ray fluorescence computed tomography (XFCT) setup and apply this MC model to optimize incident x-ray spectrum for improving production/detection of x-ray fluorescence photons from gold nanoparticles (GNPs). Methods: A detailed MC model, based on an experimental XFCT system, was created using the Monte Carlo N-Particle (MCNP) transport code. The model was validated by comparing MC results including x-ray fluorescence (XRF) and scatter photon spectra with measured data obtained under identical conditions using 105 kVp cone-beam x-rays filtered by either 1 mm of lead (Pb) or 0.9 mm of tin (Sn). After validation, the model was used to investigate the effects of additional filtration of the incident beam with Pb and Sn. Supplementary incident x-ray spectra, representing heavier filtration (Pb: 2 and 3 mm; Sn: 1, 2, and 3 mm) were computationally generated and used with the model to obtain XRF/scatter spectra. Quasimonochromatic incident x-ray spectra (81, 85, 90, 95, and 100 keV with 10 keV full width at half maximum) were also investigated to determine the ideal energy for distinguishing gold XRF signal from the scatter background. Fluorescence signal-to-dose ratio (FSDR) and fluorescence-normalized scan time (FNST) were used as metrics to assess results. Results: Calculated XRF/scatter spectra for 1-mm Pb and 0.9-mm Sn filters matched (r ≥ 0.996) experimental measurements. Calculated spectra representing additional filtration for both filter materials showed that the spectral hardening improved the FSDR at the expense of requiring a much longer FNST. In general, using Sn instead of Pb, at a given filter thickness, allowed an increase of up to 20% in FSDR, more prominent gold XRF peaks, and up to an order of magnitude decrease in FNST. Simulations using quasimonochromatic spectra suggested that increasing source x-ray energy, in the

  19. Improving x-ray fluorescence signal for benchtop polychromatic cone-beam x-ray fluorescence computed tomography by incident x-ray spectrum optimization: A Monte Carlo study

    PubMed Central

    Manohar, Nivedh; Jones, Bernard L.; Cho, Sang Hyun

    2014-01-01

    Purpose: To develop an accurate and comprehensive Monte Carlo (MC) model of an experimental benchtop polychromatic cone-beam x-ray fluorescence computed tomography (XFCT) setup and apply this MC model to optimize incident x-ray spectrum for improving production/detection of x-ray fluorescence photons from gold nanoparticles (GNPs). Methods: A detailed MC model, based on an experimental XFCT system, was created using the Monte Carlo N-Particle (MCNP) transport code. The model was validated by comparing MC results including x-ray fluorescence (XRF) and scatter photon spectra with measured data obtained under identical conditions using 105 kVp cone-beam x-rays filtered by either 1 mm of lead (Pb) or 0.9 mm of tin (Sn). After validation, the model was used to investigate the effects of additional filtration of the incident beam with Pb and Sn. Supplementary incident x-ray spectra, representing heavier filtration (Pb: 2 and 3 mm; Sn: 1, 2, and 3 mm) were computationally generated and used with the model to obtain XRF/scatter spectra. Quasimonochromatic incident x-ray spectra (81, 85, 90, 95, and 100 keV with 10 keV full width at half maximum) were also investigated to determine the ideal energy for distinguishing gold XRF signal from the scatter background. Fluorescence signal-to-dose ratio (FSDR) and fluorescence-normalized scan time (FNST) were used as metrics to assess results. Results: Calculated XRF/scatter spectra for 1-mm Pb and 0.9-mm Sn filters matched (r ≥ 0.996) experimental measurements. Calculated spectra representing additional filtration for both filter materials showed that the spectral hardening improved the FSDR at the expense of requiring a much longer FNST. In general, using Sn instead of Pb, at a given filter thickness, allowed an increase of up to 20% in FSDR, more prominent gold XRF peaks, and up to an order of magnitude decrease in FNST. Simulations using quasimonochromatic spectra suggested that increasing source x-ray energy, in the

  20. V oxidation state in Fe-Ti oxides by high-energy resolution fluorescence-detected X-ray absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Bordage, Amélie; Balan, Etienne; de Villiers, Johan P. R.; Cromarty, Robert; Juhin, Amélie; Carvallo, Claire; Calas, Georges; Sunder Raju, P. V.; Glatzel, Pieter

    2011-06-01

    The oxidation state of vanadium in natural and synthetic Fe-Ti oxides is determined using high-energy resolution fluorescence-detected X-ray absorption spectroscopy (HERFD-XAS). Eleven natural magnetite-bearing samples from a borehole of the Main Magnetite Layer of the Bushveld Complex (South Africa), five synthetic Fe oxide samples, and three natural hematite-bearing samples from Dharwar supergroup (India) are investigated. V K edge spectra were recorded on the ID26 beamline at the European Synchrotron Radiation Facility (Grenoble, France), and the pre-edge features were used to determine the local environment and oxidation state of vanadium. In the case of the magnetite samples (natural and synthetic), we show that vanadium is incorporated in the octahedral site of the spinel structure under two oxidation states: +III and +IV. The variations of the pre-edge area are interpreted as various proportions in V3+ and V4+ (between 9.5 and 16.3% of V4+), V3+ being the main oxidation state. In particular, the variations of the V4+/V3+ ratio along the profile of the Main Magnetite Layer seem to follow the crystallization sequence of the layer. In the case of the hematite samples from India, the pre-edge features indicate that vanadium is substituted to Fe and mainly incorporated as V4+ (between 40 and 72% of V4+). We also demonstrate the potentiality of HERFD-XAS for mineralogical studies, since it can filter out the unwanted fluorescence and give better resolved spectra than conventional XAS.

  1. Comparison of Synchrotron X-Ray Fluorescence Mapping and Micro-XANES to Bulk X-Ray Absorption Spectra in Metal-Contaminated Sediments

    SciTech Connect

    O'Day, P; Carroll, S A; Bajt, S

    2003-01-16

    Synchrotron X-ray absorption spectroscopy (XAS) is one of the few techniques that can supply molecular-scale information for a variety of elements at concentrations relevant to natural systems in non-vacuum conditions. Bulk XAS analysis supplies the dominant chemical bonding mode(s) for a specific element. In complex materials such as natural soils and sediments, however, the dominant mode may not necessarily be the most reactive because changes in speciation at surfaces may results in changes in reactivity. Our previous work at Naval Air Station (NAS) Alameda (CA) focused on in situ metal chemistry in surface and deep sediments, and the impact of metal mobility by sediment oxidation. Estuary sediments at the Alameda Naval Station Air in California have elevated metal concentrations that increase with increasing depth. The metal concentrations in these sediments are: Cd (10-350 ppm), Cr (200-1000 ppm), Cu (100-230 ppm), Pb (200-1200 ppm) and Zn (250-600 ppm). We have extensively characterized these sediments using bulk XAS and other non-synchrotron supporting methods [ 1]. In this experiment, we collected fluorescence element maps using synchrotron X-ray microprobe of unreacted and seawater-oxidized sediment samples from Alameda NAS to determine the spatial distribution and correlation of lead, zinc, and iron. We then compared micro-XANES spectra for lead and zinc collected with the X-ray microprobe to previously collected bulk XANES spectra. The results from our bulk XAS characterization of the sediments showed both oxide and sulfide components for the trace metals. However, the bulk XAS data were not able to identify the composition of the oxide component (i.e. carbonate or hydroxide), nor could absorbed species or solid solutions be definitively identified. Our objective in using micro-XANES and fluorescence element maps was to attempt a more precise identification of metal speciation in or on individual particles.

  2. Enhanced optical properties of heterostructured ZnO/CeO2 nanocomposite fabricated by one-pot hydrothermal method: Fluorescence and ultraviolet absorption and visible light transparency

    NASA Astrophysics Data System (ADS)

    He, Geping; Fan, Huiqing; Wang, Zhiwei

    2014-12-01

    Many researchers investigated the properties of either discrete metal oxide CeO2 or ZnO materials. However, less attention has been paid to the various nanostructure and performances of CeO2 and ZnO nanocomposite up to now. In this paper, a facile and low cost one-pot hydrothermal synthesis method has been adopted to obtained directly precursors of CeCO3OH and Zn5(CO3)2(OH)6 with different Ce atom molar ratios to Zn, which are transformed into their corresponding metal oxide to form the ZnO/CeO2 heterostructure nanocomposites (HSNCs) by pyrolysis. The heterostructure is composed of ZnO and CeO2 monocrystals, simultaneously, CeO2 monocrystals are well dispersed on the surface of ZnO monocrystal for cosmetics. Bing dependent on the analysis results of XRD and TEM for the obtained precursors before and after pyrolysis, the formation mechanism of HSNCs was proposed. To the best of our knowledge, the paper first reported heterostructured ZnO/CeO2 nanocomposite grown in one-pot mixed aqueous solution of cerium nitrate, zinc acetate and urea without other extra surfactant. Additionally, the influence of various Ce/Zn molar ratios on the heterostructure, fluorescence emission and UV-visible absorption properties of HSNCs was investigated in detail. ZnO/CeO2 HSNCs display higher fluorescence emission with the increasing Ce/Zn molar ratio. Meanwhile, the larger Ce/Zn molar ratio of ZnO/CeO2 HSNCs, the stronger transparency in the visible light region and the weaker UV absorption. The results are due to the fact that the band gap of ZnO/CeO2 HSNCs will decrease from 3.25 to 3.08 eV when Ce/Zn atom molar ratio is increased from 0 to 0.08. By the comprehensive analysis on the optical performances of HSNCs with the different Ce/Zn atom molar ratios, ZnO/CeO2-0.04 HSNCs could become UV absorber materials and transparent material in the visible region. ZnO/CeO2-0.04 HSNCs with the UV-filtering and Vis-transparent properties is appropriate for personal-care cosmetics.

  3. 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.

  4. Inertial solvent dynamics and the analysis of spectral line shapes: Temperature-dependent absorption spectrum of beta-carotene in nonpolar solvent.

    PubMed

    Burt, Jim A; Zhao, Xihua; McHale, Jeanne L

    2004-03-01

    The influence of solvent dynamics on optical spectra is often described by a stochastic model which assumes exponential relaxation of the time-correlation function for solvent-induced frequency fluctuations. In contrast, theory and experiment suggest that the initial (subpicosecond) phase of solvent relaxation, resulting from inertial motion of the solvent, is a Gaussian function of time. In this work, we employ numerical and analytical calculations to compare the predicted absorption line shapes and the derived solvent reorganization energies obtained from exponential (Brownian oscillator) versus Gaussian (inertial) solvent dynamics. Both models predict motional narrowing as the ratio kappa = Lambda/Delta is increased, where Lambda and Delta are the frequency and variance, respectively, of the solvent-induced frequency fluctuations. However, the motional narrowing limit is achieved at lower values of kappa for the Brownian oscillator model compared to the inertial model. For a given line shape, the derived value of the solvent reorganization energy lambdasolv is only weakly dependent on the solvent relaxation model employed, though different solvent parameters Lambda and Delta are obtained. The two models are applied to the analysis of the temperature-dependent absorption spectrum of beta-carotene in isopentane and CS2. The derived values of lambdasolv using the Gaussian model are found to be in better agreement with the high temperature limit of Delta2/2kBT than are the values obtained using the Brownian oscillator model. In either approach, the solvent reorganization energy is found to increase slightly with temperature as a result of an increase in the variance Delta of the solvent-induced frequency fluctuations. PMID:15268604

  5. Inertial solvent dynamics and the analysis of spectral line shapes: Temperature-dependent absorption spectrum of β-carotene in nonpolar solvent

    NASA Astrophysics Data System (ADS)

    Burt, Jim A.; Zhao, Xihua; McHale, Jeanne L.

    2004-03-01

    The influence of solvent dynamics on optical spectra is often described by a stochastic model which assumes exponential relaxation of the time-correlation function for solvent-induced frequency fluctuations. In contrast, theory and experiment suggest that the initial (subpicosecond) phase of solvent relaxation, resulting from inertial motion of the solvent, is a Gaussian function of time. In this work, we employ numerical and analytical calculations to compare the predicted absorption line shapes and the derived solvent reorganization energies obtained from exponential (Brownian oscillator) versus Gaussian (inertial) solvent dynamics. Both models predict motional narrowing as the ratio κ=Λ/Δ is increased, where Λ and Δ are the frequency and variance, respectively, of the solvent-induced frequency fluctuations. However, the motional narrowing limit is achieved at lower values of κ for the Brownian oscillator model compared to the inertial model. For a given line shape, the derived value of the solvent reorganization energy λsolv is only weakly dependent on the solvent relaxation model employed, though different solvent parameters Λ and Δ are obtained. The two models are applied to the analysis of the temperature-dependent absorption spectrum of β-carotene in isopentane and CS2. The derived values of λsolv using the Gaussian model are found to be in better agreement with the high temperature limit of Δ2/2kBT than are the values obtained using the Brownian oscillator model. In either approach, the solvent reorganization energy is found to increase slightly with temperature as a result of an increase in the variance Δ of the solvent-induced frequency fluctuations.

  6. 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.

  7. 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

  8. Hybrid Ab initio/EFP approach for calculating d-d absorption spectrum of hexaammineruthenium(II) ion in aqueous solutions

    NASA Astrophysics Data System (ADS)

    Yurenev, P. V.; Scherbinin, A. V.; Stepanov, N. F.

    Ab initio quantum chemical strategies for quantitatively predicting the lowest (1Ag rarr 1T1g) vertical d-d excitation energy of hexaammineruthenium(II) ion in aqueous solution are discussed. The scalar-relativistic ECP/valence basis set on Ru atom developed by the Stuttgart group in a combination with the state-average CASSCF(d) approach, followed by multiconfigurational quasi-degenerate second-order perturbation theory (MCQDPT2) to account for differential correlation effects is proved to be an adequate tool to reproduce the experimental absorption spectrum of the complex for a variety of AO basis sets on ligand atoms. In addition, different ab initio methodologies are examined in order to predict the ground state geometry which is consistent with the follow-up excitation spectrum calculations. It is observed that the use of the optimized structures of a hypothetical gas-phase complex lead to substantial underestimation of excitation energies. Solvent effects strongly influence the excitation energy though indirectly, mainly by means of changing the ground state geometry of the solvated complex when compared with the vacuum one. In particular, the ground state structure of the complex surrounded by effective fragments simulating water molecules provides the lowest CASSCF/MCQDPT excitation energy estimate to be within 25,500-26,400 cm-1, in a fair agreement with the experimentally measured value of 25,600 cm-1. At the same time, direct incorporation of solvation effects causes only minor change in the estimated transition energies, within several hundred cm-1.

  9. Distribution and speciation of bromine in mammalian tissue and fluids by X-ray fluorescence imaging and X-ray absorption spectroscopy.

    PubMed

    Ceko, Melanie J; Hummitzsch, Katja; Hatzirodos, Nicholas; Bonner, Wendy; James, Simon A; Kirby, Jason K; Rodgers, Raymond J; Harris, Hugh H

    2015-05-01

    Bromine is one of the most abundant and ubiquitous trace elements in the biosphere and until recently had not been shown to perform any essential biological function in animals. A recent study demonstrated that bromine is required as a cofactor for peroxidasin-catalysed formation of sulfilimine crosslinks in Drosophila. In addition, bromine dietary deficiency is lethal in Drosophila, whereas bromine replenishment restores viability. The aim of this study was to examine the distribution and speciation of bromine in mammalian tissues and fluids to provide further insights into the role and function of this element in biological systems. In this study we used X-ray fluorescence (XRF) imaging and inductively coupled plasma-mass spectrometry (ICP-MS) to examine the distribution of bromine in bovine ovarian tissue samples, follicular fluid and aortic serum, as well as human whole blood and serum and X-ray absorption spectroscopy (XAS) to identify the chemical species of bromine in a range of mammalian tissue (bovine, ovine, porcine and murine), whole blood and serum samples (bovine, ovine, porcine, murine and human), and marine samples (salmon (Salmo salar), kingfish (Seriola lalandi) and Scleractinian coral). Bromine was found to be widely distributed across all tissues and fluids examined. In the bovine ovary in particular it was more concentrated in the sub-endothelial regions of arterioles. Statistical comparison of the near-edge region of the X-ray absorption spectra with a library of bromine standards led to the conclusion that the major form of bromine in all samples analysed was bromide. PMID:25675086

  10. Spectroscopic characterization of C7H3(+) and C7H3˙: electronic absorption and fluorescence in 6 K neon matrices.

    PubMed

    Chakraborty, Arghya; Fulara, Jan; Dietsche, Rainer; Maier, John P

    2014-04-21

    Mass selective deposition of C7H3(+) (m/z = 87) into solid neon reveals the 1(1)A1←X(1)A1 electronic absorption system of hepta-1,2,3,4,5,6-heptahexaenylium cation B(+) [H2CCCCCCCH](+) with an origin band at 441.3 nm, 1(1)A'←X(1)A' transition of 2,4-pentadiynylium,1-ethynyl cation C(+) [HCCCHCCCCH](+) starting at 414.6 nm and the 1(1)A1←X(1)A1 one of cyclopropenylium,1,3-butadiynyl cation A(+) [HCCCCC<(CH=CH)](+) with an onset at 322.2 nm. Vibrationally resolved fluorescence was observed for isomer B(+) upon laser excitation of the absorption bands in the 1(1)A1←X(1)A1 transition. After neutralization of the cations in the matrix five absorption systems of the C7H3 neutral radicals starting at 530.3, 479.4, 482.3, 325.0 and 302.5 nm were detected. These were identified as the 1(2)A'←X(2)A' and 2(2)A'←X(2)A' electronic transitions of 2-(buta-1,3-diynyl)cycloprop-2yl-1-1ylidene E˙ [HCCCCC<(C=CH2)]˙, 1(2)B1←X(2)B1 of 1,2,3,4,5,6-heptahexaenyl B˙ [H2CCCCCCCH]˙, 3(2)B1←X(2)B1 of 3-buta-1,3-diynyl-cyclopropenyl A˙ [HCCCCC<(CH=CH)]˙ and 2(2)B1←X(2)A2 transition of 1,2-divinylidene-cyclopropanyl radical F˙ [HCC-cyc-(CCHC)-CCH]˙, respectively. The assignment is based on calculated vertical excitation energies using the CASPT2 method. Comparison of the calculated harmonic vibrational frequencies with those inferred from the spectra supports the assignment. PMID:24603977

  11. Multimodal optoacoustic and multiphoton fluorescence microscopy

    NASA Astrophysics Data System (ADS)

    Sela, Gali; Razansky, Daniel; Shoham, Shy

    2013-03-01

    Multiphoton microscopy is a powerful imaging modality that enables structural and functional imaging with cellular and sub-cellular resolution, deep within biological tissues. Yet, its main contrast mechanism relies on extrinsically administered fluorescent indicators. Here we developed a system for simultaneous multimodal optoacoustic and multiphoton fluorescence 3D imaging, which attains both absorption and fluorescence-based contrast by integrating an ultrasonic transducer into a two-photon laser scanning microscope. The system is readily shown to enable acquisition of multimodal microscopic images of fluorescently labeled targets and cell cultures as well as intrinsic absorption-based images of pigmented biological tissue. During initial experiments, it was further observed that that detected optoacoustically-induced response contains low frequency signal variations, presumably due to cavitation-mediated signal generation by the high repetition rate (80MHz) near IR femtosecond laser. The multimodal system may provide complementary structural and functional information to the fluorescently labeled tissue, by superimposing optoacoustic images of intrinsic tissue chromophores, such as melanin deposits, pigmentation, and hemoglobin or other extrinsic particle or dye-based markers highly absorptive in the NIR spectrum.

  12. 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.

  13. Absolute atomic oxygen density measurements for nanosecond-pulsed atmospheric-pressure plasma jets using two-photon absorption laser-induced fluorescence spectroscopy

    NASA Astrophysics Data System (ADS)

    Jiang, C.; Carter, C.

    2014-12-01

    Nanosecond-pulsed plasma jets that are generated under ambient air conditions and free from confinement of electrodes have become of great interest in recent years due to their promising applications in medicine and dentistry. Reactive oxygen species that are generated by nanosecond-pulsed, room-temperature non-equilibrium He-O2 plasma jets among others are believed to play an important role during the bactericidal or sterilization processes. We report here absolute measurements of atomic oxygen density in a 1 mm-diameter He/(1%)O2 plasma jet at atmospheric pressure using two-photon absorption laser-induced fluorescence spectroscopy. Oxygen number density on the order of 1013 cm-3 was obtained in a 150 ns, 6 kV single-pulsed plasma jet for an axial distance up to 5 mm above the device nozzle. Temporally resolved O density measurements showed that there are two maxima, separated in time by 60-70 µs, and a total pulse duration of 260-300 µs. Electrostatic modeling indicated that there are high-electric-field regions near the nozzle exit that may be responsible for the observed temporal behavior of the O production. Both the field-distribution-based estimation of the time interval for the O number density profile and a pulse-energy-dependence study confirmed that electric-field-dependent, direct and indirect electron-induced processes play important roles for O production.

  14. Fluorescence excitation and ultraviolet absorption spectra and theoretical calculations for benzocyclobutane: Vibrations and structure of its excited S{sub 1}(π,π{sup *}) electronic state

    SciTech Connect

    Shin, Hee Won; Ocola, Esther J.; Laane, Jaan; Kim, Sunghwan

    2014-01-21

    The fluorescence excitation spectra of jet-cooled benzocyclobutane have been recorded and together with its ultraviolet absorption spectra have been used to assign the vibrational frequencies for this molecule in its S{sub 1}(π,π{sup *}) electronic excited state. Theoretical calculations at the CASSCF(6,6)/aug-cc-pVTZ level of theory were carried out to compute the structure of the molecule in its excited state. The calculated structure was compared to that of the molecule in its electronic ground state as well as to the structures of related molecules in their S{sub 0} and S{sub 1}(π,π{sup *}) electronic states. In each case the decreased π bonding in the electronic excited states results in longer carbon-carbon bonds in the benzene ring. The skeletal vibrational frequencies in the electronic excited state were readily assigned and these were compared to the ground state and to the frequencies of five similar molecules. The vibrational levels in both S{sub 0} and S{sub 1}(π,π{sup *}) states were remarkably harmonic in contrast to the other bicyclic molecules. The decreases in the frequencies of the out-of-plane skeletal modes reflect the increased floppiness of these bicyclic molecules in their S{sub 1}(π,π{sup *}) excited state.

  15. Estimation of ground and excited state dipole moment of laser dyes C504T and C521T using solvatochromic shifts of absorption and fluorescence spectra

    NASA Astrophysics Data System (ADS)

    Basavaraja, Jana; Suresh Kumar, H. M.; Inamdar, S. R.; Wari, M. N.

    2016-02-01

    The absorption and fluorescence spectra of laser dyes: coumarin 504T (C504T) and coumarin 521T (C521T) have been recorded at room temperature in a series of non-polar and polar solvents. The spectra of these dyes showed bathochromic shift with increasing in solvent polarity indicating the involvement of π → π* transition. Kamlet-Taft and Catalan solvent parameters were used to analyze the effect of solvents on C504T and C521T molecules. The study reveals that both general solute-solvent interactions and specific interactions are operative in these two systems. The ground state dipole moment was estimated using Guggenheim's method and also by quantum mechanical calculations. The solvatochromic data were used to determine the excited state dipole moment (μe). It is observed that dipole moment value of excited state (μe) is higher than that of the ground state in both the laser dyes indicating that these dyes are more polar in nature in the excited state than in the ground state.

  16. Silver speciation in liver of marine mammals by synchrotron X-ray absorption fine structure and X-ray fluorescence spectroscopies.

    PubMed

    Nakazawa, Emiko; Ikemoto, Tokutaka; Hokura, Akiko; Terada, Yasuko; Kunito, Takashi; Yamamoto, Takahito; Yamada, Tadasu K; Rosas, Fernando C W; Fillmann, Gilberto; Tanabe, Shinsuke; Nakai, Izumi

    2011-06-01

    The chemical form of Ag in the livers of five species of marine mammals was examined using X-ray absorption fine structure (XAFS) and X-ray fluorescence (XRF) spectroscopies. The XAFS analysis suggested that Ag(2)Se was present in the livers of the Franciscana dolphin (Pontoporia blainvillei), Dall's porpoise (Phocoenoides dalli), and Baird's beaked whale (Berardius bairdii), whereas Ag(2)S was present in the livers of the striped dolphin (Stenella coeruleoalba) and pygmy killer whale (Feresa attenuata). XRF spectroscopy results revealed that the distribution patterns of Ag and Se in a thin section of the liver of the Franciscana dolphin were the same; this also implied that Ag was associated with Se in the liver. Thus, the interaction of Ag with Se or S may offer significant protection against the toxicity of Ag in marine mammals. The formation of either Ag(2)Se or Ag(2)S might depend on the Hg levels in the liver. Ag(2)Se was observed in liver samples with relatively high Ag/Hg ratio, whereas liver samples with low Ag/Hg ratio contained Ag(2)S. PMID:21491037

  17. Energy transfer in the inhomogeneously broadened core antenna of purple bacteria: a simultaneous fit of low-intensity picosecond absorption and fluorescence kinetics.

    PubMed Central

    Pullerits, T; Visscher, K J; Hess, S; Sundström, V; Freiberg, A; Timpmann, K; van Grondelle, R

    1994-01-01

    The excited state decay kinetics of chromatophores of the purple photosynthetic bacterium Rhodospirillum rubrum have been recorded at 77 K using picosecond absorption difference spectroscopy under strict annihilation free conditions. The kinetics are shown to be strongly detection wavelength dependent. A simultaneous kinetic modeling of these experiments together with earlier fluorescence kinetics by numerical integration of the appropriate master equation is performed. This model, which accounts for the spectral inhomogeneity of the core light-harvesting antenna of photosynthetic purple bacteria, reveals three qualitatively distinct stages of excitation transfer with different time scales. At first a fast transfer to a local energy minimum takes place (approximately 1 ps). This is followed by a much slower transfer between different energy minima (10-30 ps). The third component corresponds to the excitation transfer to the reaction center, which depends on its state (60 and 200 ps for open and closed, respectively) and seems also to be the bottleneck in the overall trapping time. An acceptable correspondence between theoretical and experimental decay kinetics is achieved at 77 K and at room temperature by assuming that the width of the inhomogeneous broadening is 10-15 nm and the mean residence time of the excitation in the antenna lattice site is 2-3 ps. PMID:8130341

  18. Absorption spectrophotometric, fluorescence and quantum chemical investigations on non-covalent interaction between PC₇₀BM and designed diporphyrin in solution.

    PubMed

    Ray, Anamika; Bauri, Ajoy; Bhattacharya, Sumanta

    2015-01-01

    Present work reports the photophysical insights on supramolecular interaction of a C₇₀ derivative, namely, [6,6]-phenyl C₇₁ butyric acid methyl ester (PC₇₀BM), with two designed diporphyrin molecules having dithiophene (1) and carbazole (2) spacer in toluene and benzonitrile. Both absorption spectrophotometric and steady state fluorescence investigations reveal efficient complexation of PC₇₀BM with 1 and 2 in both toluene and benzonitrile. The magnitude of average value of binding constant, viz., Kav, for the complexes of PC₇₀BM with 1 and 2 in toluene (benzonitrile) are estimated to be 2.185 × 10(3)dm(3)mol(-1) (3.215 × 10(3)dm(3)mol(-1)) and 10.180 × 10(3)dm(3)mol(-1) (25.405 × 10(3)dm(3)mol(-1)), respectively. Selectivity in binding for the complexation process of PC₇₀BM with 1 and 2 is estimated to be ∼4.6 and ∼7.90 as observed in toluene and benzonitrile, respectively. The complexation between PC₇₀BM and diporphyrin is well accounted by a theoretical model which takes into account the electronic subsystems of both acceptor and donor. Ab initio calculations in vacuo establish that size selective orientation pattern of PC₇₀BM towards the cavity of diporphyrin dictates the magnitude of binding and electronic structure of the PC₇₀BM/diporphyrin complexes. PMID:25138385

  19. Calculation and interpretation of vibronic absorption and fluorescence spectra of the first electronic nπ* transitions of pyridine and pyrimidine

    NASA Astrophysics Data System (ADS)

    Ten, G. N.; Kadrov, D. M.; Berezin, M. K.; Baranov, V. I.

    2014-11-01

    We have calculated vibronic spectra of the first electronic nπ* transitions of pyridine and pyrimidine in the isolated state using the DFT method in the Franck-Condon approximation. Vibrational spectra for the ground and excited states have been calculated in the anharmonic approximation, which allowed us to refine the assignment of normal vibrations of pyridine and pyrimidine. We have done a complete interpretation of the vibrational structure of the absorption and fluorescence spectra of pyridine and pyrimidine. It has been shown that Fermi resonances between fundamental and combination vibrations and overtones 12 and 16 b + 4, 6 a and 2 × 16 b affect the formation of the vibrational structure of electronic spectra of pyrimidine. Good agreement between calculated and experimental spectra confirms the correctness of the models of the two molecules in their ground and excited states, which makes it possible to use the models in further investigations of various properties of these molecules in electronically excited states, e.g., tautomerism of pyrimidine bases of nucleic acids.

  20. Two-photon excitation spectrum of light-harvesting complex II and fluorescence upconversion after one- and two-photon excitation of the carotenoids

    SciTech Connect

    Walla, P.J.; Yom, J.; Krueger, B.P.; Fleming, G.R.

    2000-05-18

    The two-photon excitation (TPE) spectrum of light-harvesting complex II (LHC II) has been measured in the spectral region of 1,000--1,600 nm, corresponding to one-photon wavelengths of 500--800 nm. The authors observed a band with an origin at {approximately}2 x 660 nm (ca. 15,100 {+-} 300 cm{sup {minus}1}) and a maximum at {approximately}2 x 600 nm. The line shape and origin of this band strongly suggest that the observed signal is due to the two-photon-allowed S{sub 1} state of the energy-transferring carotenoids (Car ) in LHC II. The authors also report the time dependence of the upconverted chlorophyll (Chl) fluorescence after TPE at the maximum of the observed band. Surprisingly, a fast rise of 250 {+-} 50 fs followed by a multiexponential decay on the picosecond time scale was observed. This result provides strong indication that there is a fast energy transfer even from the dipole-forbidden Car S{sub 1} state to the Chl's. The sub picosecond energy transfer from the Car S{sub 1} state is likely a consequence of the large number of energy-accepting Chls in van der Waals contact with the central Car's in LHC II. They also present upconversion data of the Car S{sub 2}, Chl a, and Chl b fluorescence observed after one-photon excitation into the dipole-allowed Car S{sub 2} state. The lifetime of the Car S{sub 2} state is {approximately}120 {+-} 30 fs. With the observed time constants they are able to calculate quantum yields for the different possible pathways contributing to the overall Car to Chl energy transfer in LHC II.

  1. [Study on high pressure sample preparation method for pressed powder pellet and its application in X-ray fluorescence spectrum analysis].

    PubMed

    Zhang, Qin; Yu, Zhao-Shui; Li, Xiao-Li; Li, Guo-hui

    2013-12-01

    Using the independently designed high pressure sample preparation mold and high pressure sample preparation technology (patent number: 201310125772. 5), studies on the high pressure pressed various geological samples such as rocks, soils and stream sediments were first described in the present paper. It is the first experiment conducted in this field with significant achievements obtained. Without any binder, various types of geological powder samples can be pelleted well using 1600KN high pressure method. Such pellet has the characteristics of dense, flat, smooth and shiny surface, no cracks, no delamination, and no powder dropping. The study provides a new and contamination-free approach to sample preparation of X-ray fluorescence spectrum analysis. The comparison study conducted between the same samples pelleted under the low pressure (400 kN) and high pressure (1 600 kN) showed that using the high pressure the element peak to background ratios, and sensitivities are significantly improved, the detection limits are lowed, and the accuracies, the precisions and sample preparation repeatability are greatly improved. The Si FWHM became wider for the high pressure (1 600 kN) pellet than the same sample pelleted under the lower pressure (400 kN). The further SEM observation revealed that variation of Si spectrum shape may be caused by that the silica crystal lattices are destroyed and the particle size becomes smaller by using the high pressure pelleting techniques. So the particle size and mineral effects are also effectively reduced and the precisions and accuracies of the analytical method are improved. PMID:24611411

  2. Heat generation and light scattering of green fluorescent protein-like pigments in coral tissue.

    PubMed

    Lyndby, Niclas H; Kühl, Michael; Wangpraseurt, Daniel

    2016-01-01

    Green fluorescent protein (GFP)-like pigments have been proposed to have beneficial effects on coral photobiology. Here, we investigated the relationships between green fluorescence, coral heating and tissue optics for the massive coral Dipsastraea sp. (previously Favia sp.). We used microsensors to measure tissue scalar irradiance and temperature along with hyperspectral imaging and combined imaging of variable chlorophyll fluorescence and green fluorescence. Green fluorescence correlated positively with coral heating and scalar irradiance enhancement at the tissue surface. Coral tissue heating saturated for maximal levels of green fluorescence. The action spectrum of coral surface heating revealed that heating was highest under red (peaking at 680 nm) irradiance. Scalar irradiance enhancement in coral tissue was highest when illuminated with blue light, but up to 62% (for the case of highest green fluorescence) of this photon enhancement was due to green fluorescence emission. We suggest that GFP-like pigments scatter the incident radiation, which enhances light absorption and heating of the coral. However, heating saturates, because intense light scattering reduces the vertical penetration depth through the tissue eventually leading to reduced light absorption at high fluorescent pigment density. We conclude that fluorescent pigments can have a central role in modulating coral light absorption and heating. PMID:27225857

  3. Heat generation and light scattering of green fluorescent protein-like pigments in coral tissue

    NASA Astrophysics Data System (ADS)

    Lyndby, Niclas H.; Kühl, Michael; Wangpraseurt, Daniel

    2016-05-01

    Green fluorescent protein (GFP)-like pigments have been proposed to have beneficial effects on coral photobiology. Here, we investigated the relationships between green fluorescence, coral heating and tissue optics for the massive coral Dipsastraea sp. (previously Favia sp.). We used microsensors to measure tissue scalar irradiance and temperature along with hyperspectral imaging and combined imaging of variable chlorophyll fluorescence and green fluorescence. Green fluorescence correlated positively with coral heating and scalar irradiance enhancement at the tissue surface. Coral tissue heating saturated for maximal levels of green fluorescence. The action spectrum of coral surface heating revealed that heating was highest under red (peaking at 680 nm) irradiance. Scalar irradiance enhancement in coral tissue was highest when illuminated with blue light, but up to 62% (for the case of highest green fluorescence) of this photon enhancement was due to green fluorescence emission. We suggest that GFP-like pigments scatter the incident radiation, which enhances light absorption and heating of the coral. However, heating saturates, because intense light scattering reduces the vertical penetration depth through the tissue eventually leading to reduced light absorption at high fluorescent pigment density. We conclude that fluorescent pigments can have a central role in modulating coral light absorption and heating.

  4. Heat generation and light scattering of green fluorescent protein-like pigments in coral tissue

    PubMed Central

    Lyndby, Niclas H.; Kühl, Michael; Wangpraseurt, Daniel

    2016-01-01

    Green fluorescent protein (GFP)-like pigments have been proposed to have beneficial effects on coral photobiology. Here, we investigated the relationships between green fluorescence, coral heating and tissue optics for the massive coral Dipsastraea sp. (previously Favia sp.). We used microsensors to measure tissue scalar irradiance and temperature along with hyperspectral imaging and combined imaging of variable chlorophyll fluorescence and green fluorescence. Green fluorescence correlated positively with coral heating and scalar irradiance enhancement at the tissue surface. Coral tissue heating saturated for maximal levels of green fluorescence. The action spectrum of coral surface heating revealed that heating was highest under red (peaking at 680 nm) irradiance. Scalar irradiance enhancement in coral tissue was highest when illuminated with blue light, but up to 62% (for the case of highest green fluorescence) of this photon enhancement was due to green fluorescence emission. We suggest that GFP-like pigments scatter the incident radiation, which enhances light absorption and heating of the coral. However, heating saturates, because intense light scattering reduces the vertical penetration depth through the tissue eventually leading to reduced light absorption at high fluorescent pigment density. We conclude that fluorescent pigments can have a central role in modulating coral light absorption and heating. PMID:27225857

  5. The application of new methane line absorption data to Gemini-N/NIFS and KPNO/FTS observations of Uranus' near-infrared spectrum

    NASA Astrophysics Data System (ADS)

    Irwin, P. G. J.; de Bergh, C.; Courtin, R.; Bézard, B.; Teanby, N. A.; Davis, G. R.; Fletcher, L. N.; Orton, G. S.; Calcutt, S. B.; Tice, D.; Hurley, J.

    2012-08-01

    New line data describing the absorption of CH4 and CH3D from 1.26 to 1.71 μm (Campargue, A., Wang, L., Mondelain, D., Kassi, S., Bézard, B., Lellouch, E., Coustenis, A., de Bergh, C., Hirtzig, M., Drossart, P. [2012]. Icarus 219, 110-128), building upon previous papers by Campargue et al. (Campargue, A., Wang, L., Kassi, S., Masat, M., Votava, O. [2010]. J. Quant. Spectrosc. Radiat. Transfer 111, 1141-1151; Wang, L., Kassi, S., Campargue, A. [2010]. J. Quant. Spectrosc. Radiat. Transfer 111, 1130-1140; Wang, L., Kassi, S., Liu, A.W., Hu, S.M., Campargue, A. [2011]. J. Quant. Spectrosc. Radiat. Transfer 112, 937-951)) have been applied to the analysis of Gemini-N/NIFS observations of Uranus made in 2010 and compared with earlier disc-averaged observations made by KPNO/FTS in 1982. The new line data are found to improve greatly the fit to the observed spectra and present a huge advance over previous methane absorption tables by allowing us to determine the CH3D/CH4 ratio and also start to break the degeneracy between methane abundance and cloud top height. The best fits are obtained if the cloud particles in the main cloud deck at the 2-3 bar level become less scattering with wavelength across the 1.4-1.6 μm region and we have modelled this variation here by varying the extinction cross-section and single-scattering albedo of the particles. Applying the new line data to the NIFS spectra of Uranus, we determine a new estimate of the CH3D/CH4 ratio of 2.9-0.5+0.9×10-4, which is consistent with the estimate of de Bergh et al. (de Bergh, C., Lutz, B.L., Owen, T., Brault, J., Chauville, J. [1986]. Astrophys. J. 311, 501-510) of 3.6-2.8+3.6×10-4, made by fitting a disc-averaged KPNO/FTS spectrum measured in 1982, but much better constrained. The NIFS observations made in 2010 have been disc-averaged and compared with the 1982 KPNO/FTS spectrum and found to be in excellent agreement. Using k-tables fitted to the new line data, the central meridian observations of

  6. Spatial distribution and speciation of lead around corroding bullets in a shooting range soil studied by micro-X-ray fluorescence and absorption spectroscopy.

    PubMed

    Vantelon, Delphine; Lanzirotti, Antonio; Scheinost, Andreas C; Kretzschmar, Ruben

    2005-07-01

    We investigated the spatial distribution and speciation of Pb in the weathering crust and soil surrounding corroding metallic Pb bullets in a shooting range soil. The soil had a neutral pH, loamy texture, and was highly contaminated with Pb, with total Pb concentrations in the surface soil up to 68 000 mg kg(-1). Undisturbed soil samples containing corroding bullets were collected and embedded in resin, and polished sections were prepared for micro-X-ray fluorescence (micro-XRF) elemental mapping and micro-X-ray absorption near edge structure (micro-XANES) spectroscopy. Bullet weathering crust material was separated from the metallic Pb cores and analyzed by powder X-ray diffraction analysis. Our results show a steep decrease in total Pb concentrations from the bullet weathering crust into the surrounding soil matrix. The weathering crust consisted of a mixture of litharge [alpha-PbO], hydrocerussite [Pb3(CO3)2-(OH)2], and cerussite [PbCO3], with litharge dominating near the metallic Pb core and cerussite dominating in the outer crust, which is in contact with the soil matrix. On the basis of these results and thermodynamic considerations, we propose that the transition of Pb species after oxidation of Pb(O) to Pb(II) follows the sequence litharge --> hydrocerussite --> cerussite. Consequently, the solubility of cerussite limits the activity of Pb2+ in the soil solution in contact with weathering bullets to < or =1.28 x 10(-6) at pH 7, assuming that the CO2 partial pressure (PCO2) in the soil is equal or larger than in the atmosphere (PCO2 > or = 0.000 35 atm). PMID:16053078

  7. Speciation and localization of Zn in the hyperaccumulator Sedum alfredii by extended X-ray absorption fine structure and micro-X-ray fluorescence.

    PubMed

    Lu, Lingli; Liao, Xingcheng; Labavitch, John; Yang, Xiaoe; Nelson, Erik; Du, Yonghua; Brown, Patrick H; Tian, Shengke

    2014-11-01

    Differences in metal homeostasis among related plant species can give important information of metal hyperaccumulation mechanisms. Speciation and distribution of Zn were investigated in a hyperaccumulating population of Sedum alfredii by using extended X-ray absorption fine structure and micro-synchrotron X-ray fluorescence (μ-XRF), respectively. The hyperaccumulator uses complexation with oxygen donor ligands for Zn storage in leaves and stems, and variations in the Zn speciation was noted in different tissues. The dominant chemical form of Zn in leaves was most probably a complex with malate, the most prevalent organic acid in S. alfredii leaves. In stems, Zn was mainly associated with malate and cell walls, while Zn-citrate and Zn-cell wall complexes dominated in the roots. Two-dimensional μ-XRF images revealed age-dependent differences in Zn localization in S. alfredii stems and leaves. In old leaves of S. alfredii, Zn was high in the midrib, margin regions and the petiole, whereas distribution of Zn was essentially uniform in young leaves. Zinc was preferentially sequestered by cells near vascular bundles in young stems, but was highly localized to vascular bundles and the outer cortex layer of old stems. The results suggest that tissue- and age-dependent variations of Zn speciation and distribution occurred in the hyperaccumulator S. alfredii, with most of the Zn complexed with malate in the leaves, but a shift to cell wall- and citric acid-Zn complexes during transportation and storage in stems and roots. This implies that biotransformation in Zn complexation occurred during transportation and storage processes in the plants of S. alfredii. PMID:25306525

  8. Franck-Condon factors perturbed by damped harmonic oscillators: Solvent enhanced X {sup 1}A{sub g} ↔ A{sup 1}B{sub 1u} absorption and fluorescence spectra of perylene

    SciTech Connect

    Wang, Chen-Wen; Zhu, Chaoyuan Lin, Sheng-Hsien; Yang, Ling; Yu, Jian-Guo

    2014-08-28

    Damped harmonic oscillators are utilized to calculate Franck-Condon factors within displaced harmonic oscillator approximation. This is practically done by scaling unperturbed Hessian matrix that represents local modes of force constants for molecule in gaseous phase, and then by diagonalizing perturbed Hessian matrix it results in direct modification of Huang–Rhys factors which represent normal modes of solute molecule perturbed by solvent environment. Scaling parameters are empirically introduced for simulating absorption and fluorescence spectra of an isolated solute molecule in solution. The present method is especially useful for simulating vibronic spectra of polycyclic aromatic hydrocarbon molecules in which hydrogen atom vibrations in solution can be scaled equally, namely the same scaling factor being applied to all hydrogen atoms in polycyclic aromatic hydrocarbons. The present method is demonstrated in simulating solvent enhanced X {sup 1}A{sub g} ↔ A{sup 1}B{sub 1u} absorption and fluorescence spectra of perylene (medium-sized polycyclic aromatic hydrocarbon) in benzene solution. It is found that one of six active normal modes v{sub 10} is actually responsible to the solvent enhancement of spectra observed in experiment. Simulations from all functionals (TD) B3LYP, (TD) B3LYP35, (TD) B3LYP50, and (TD) B3LYP100 draw the same conclusion. Hence, the present method is able to adequately reproduce experimental absorption and fluorescence spectra in both gas and solution phases.

  9. Influence of the refractive index on EGFP fluorescence lifetimes in mixtures of water and glycerol

    NASA Astrophysics Data System (ADS)

    Suhling, Klaus; Davis, Daniel M.; Petrasek, Zdenek; Siegel, Jan; Phillips, David

    2001-07-01

    As a precursor to applying fluorescence lifetime imaging (FLIM) to studies of intercellular communication in molecular immunology, we have investigated the fluorescence lifetime of enhanced green fluorescent protein (EGFP) in mixtures of water and glycerol using time-correlated single photon counting (TCSPC). We find that the EGFP lifetime decreases with increasing glycerol content. This is accounted for quantitatively by the refractive index dependence of the fluorescence lifetime as predicted by the Strickler Berg formula which relates the fluorescence lifetime to the absorption spectrum. The solvent viscosity has no influence on the fluorescence lifetime. We also discuss the refractive index dependence of the GFP fluorescence lifetime in more complex systems. The findings are particularly relevant for the interpretation of FLIM of GFP expressed in environments such as bacteria and cells.

  10. The Ultraviolet Spectrum of the Jovian Dayglow

    NASA Technical Reports Server (NTRS)

    Liu, Weihong; Dalgarno, A.

    1995-01-01

    The ultraviolet spectra of molecular hydrogen H2 and HD due to solar fluorescence and photoelectron excitation are calculated and compared with the Jovian equatorial dayglow spectrum measured at 3 A resolution at solar maximum. The dayglow emission is accounted for in both brightness and spectral shape by the solar fluorescence and photoelectron excitation and requires no additional energy source. The emission is characterized by an atmospheric temperature of 530 K and an H2 column density of 10(exp 20) cm(exp -2). The dayglow spectrum contains a cascade contribution to the Lyman band emission from high-lying E and F states. Its relative weakness at short wavelengths is due to both self-absorption by H2 and absorption by CH4. Strong wavelength coincidences of solar emission lines and absorption lines of H2 and HD produce unique line spectra which can be identified in the dayglow spectrum. The strongest fluorescence is due to absorption of the solar Lyman-beta line at 1025.72 A by the P(1) line of the (6, 0) Lyman band of H2 at 1025.93 A. The fluorescence lines due to absorption of the solar O 6 line at 1031.91 A by vibrationally excited H2 via the Q(3) line of the (1, 1) Werner band at 1031.86 A are identified. The fluorescence lines provide a sensitive measure of the atmospheric temperature. There occurs an exact coincidence of the solar O 6 line at 1031.91 A and the R(0) line of the (6, 0) Lyman band of HD at 1031-91 A, but HD on Jupiter is difficult to detect due to the dominance of the H2 emission where the HD emission is particularly strong. Higher spectral resolution and higher sensitivity may make possible such a detection. The high resolution (0.3 A) spectra of H2 and HD are presented to stimulate search for the HD on Jupiter with the Hubble Space Telescope.

  11. Fluorescence In Situ Hybridization Method Using a Peptide Nucleic Acid Probe for Identification of Salmonella spp. in a Broad Spectrum of Samples ▿

    PubMed Central

    Almeida, C.; Azevedo, N. F.; Fernandes, R. M.; Keevil, C. W.; Vieira, M. J.

    2010-01-01

    A fluorescence in situ hybridization (FISH) method for the rapid detection of Salmonella spp. using a novel peptide nucleic acid (PNA) probe was developed. The probe theoretical specificity and sensitivity were both 100%. The PNA-FISH method was optimized, and laboratory testing on representative strains from the Salmonella genus subspecies and several related bacterial species confirmed the predicted theoretical values of specificity and sensitivity. The PNA-FISH method has been successfully adapted to detect cells in suspension and is hence able to be employed for the detection of this bacterium in blood, feces, water, and powdered infant formula (PIF). The blood and PIF samples were artificially contaminated with decreasing pathogen concentrations. After the use of an enrichment step, the PNA-FISH method was able to detect 1 CFU per 10 ml of blood (5 × 109 ± 5 × 108 CFU/ml after an overnight enrichment step) and also 1 CFU per 10 g of PIF (2 × 107 ± 5 × 106 CFU/ml after an 8-h enrichment step). The feces and water samples were also enriched according to the corresponding International Organization for Standardization methods, and results showed that the PNA-FISH method was able to detect Salmonella immediately after the first enrichment step was conducted. Moreover, the probe was able to discriminate the bacterium in a mixed microbial population in feces and water by counter-staining with 4′,6-diamidino-2-phenylindole (DAPI). This new method is applicable to a broad spectrum of samples and takes less than 20 h to obtain a diagnosis, except for PIF samples, where the analysis takes less than 12 h. This procedure may be used for food processing and municipal water control and also in clinical settings, representing an improved alternative to culture-based techniques and to the existing Salmonella PNA probe, Sal23S10, which presents a lower specificity. PMID:20453122

  12. Moving in on the Action: An Experimental Comparison of Fluorescence Excitation and Photodissociation Action Spectroscopy.

    PubMed

    Wellman, Sydney M J; Jockusch, Rebecca A

    2015-06-18

    Photodissociation action spectroscopy is often used as a proxy for measuring gas-phase absorption spectra of ions in a mass spectrometer. Although the potential discrepancy between linear optical and photodissociation spectra is generally acknowledged, direct experimental comparisons are lacking. In this work, we use a quadrupole ion trap that has been modified to enable both photodissociation and laser-induced fluorescence to assess how closely the visible photodissociation action spectrum of a fluorescent dye reflects its fluorescence excitation spectrum. Our results show the photodissociation action spectrum of gaseous rhodamine 110 is both substantially narrower and slightly red-shifted (∼120 cm(-1)) compared to its fluorescence excitation spectrum. Power dependence measurements reveal that the photodissociation of rhodamine 110 requires, on average, the absorption of three photons whereas fluorescence is a single-photon process. These differing power dependences are the key to interpreting the differences in the measured spectra. The experimental results provide much-needed quantification and insight into the differences between action spectra and linear optical spectra, and emphasize the utility of fluorescence excitation spectra to provide a more reliable benchmark for comparison with theory. PMID:26020810

  13. Multiband fluorescence spectral properties of QMOM

    NASA Astrophysics Data System (ADS)

    Tomin, V. I.; Jaworski, R.

    2011-02-01

    The spectral characteristics of the 1-methyl-2-(4-methoxyphenyl)-3-hydroxy-4(1 H)-quinolone (QMOM) dye with dual fluorescence in acetonitrile were studied under selective excitation in a wide temperature range. This dye is a structural analog of 3-hydroxyflavone and exhibits excited-state proton transfer, which forms a fluorescent tautomeric form, while the solution is characterized by dual fluorescence. The thermal behavior of the relative band intensities revealed the kinetic character of the proton transfer. The third form showed itself as a maximum between the bands of the normal and tautomeric forms upon excitation in several regions of the absorption spectrum and became dominant in solution at 60-80°C. The characteristics of the third form were studied. Additional experiments showed that this was possibly the anionic form of the dye.

  14. The absorption spectrum of water vapor in the 1.25 μm atmospheric window (7911-8337 cm-1)

    NASA Astrophysics Data System (ADS)

    Campargue, A.; Mikhailenko, S. N.; Lohan, Benoit Guillo; Karlovets, E. V.; Mondelain, D.; Kassi, S.

    2015-05-01

    The absorption spectrum of water vapor in "natural" isotopic abundance has been recorded at room temperature by high sensitivity Continuous Wave Cavity Ring Down Spectroscopy (CW-CRDS) between 7911 and 8337 cm-1. The investigated region covers most of the 1.25 μm transparency window of importance for atmospheric applications. The recordings were performed with sensitivity on the order of αmin~2×10-11 cm-1, more than two orders of magnitude better than previous investigations by Fourier Transform Spectroscopy (FTS). Measured line intensities cover a range of seven orders of magnitude (3×10-30-2×10-23 cm/molecule at room temperature). The experimental line list provided as Supplementary Material includes more than 5000 transitions. As a result of the achieved sensitivity, more than 1150 lines of the experimental list were identified as being due to ammonia present as an impurity at the 5 ppm concentration level in the water sample. Although incomplete, the obtained ammonia line list seems to be the first one in the region. More than 3193 water lines were assigned to 3560 transitions of five water isotopologues (H216O, H218O, H217O, HD16O and HD18O). The assignments were performed using known experimental energy levels and calculated spectra based on variational calculations by Schwenke and Partridge. The obtained results are compared to the most relevant previous studies by Fourier Transform Spectroscopy in the region and to the exhaustive review of rovibrational line positions and levels performed recently by an IUPAC sponsored task group. Two-hundred and sixty-six levels are newly determined and 46 are corrected by more than 0.015 cm-1 compared to those recommended by the water IUPAC task group. The overall agreement between variational and measured intensities is satisfactory. A complete empirical list of 4473 transitions incorporating all the experimental information at disposal was constructed for water in the studied region. The intensity cut-off was fixed

  15. Shedding Some Light on Fluorescent Bulbs.

    ERIC Educational Resources Information Center

    Guilbert, Nicholas R.

    1996-01-01

    Explores some of the principles behind the working of fluorescent bulbs using a specially prepared fluorescent bulb with the white inner fluorescent coating applied along only half its length. Discusses the spectrum, the bulb plasma, and light production. (JRH)

  16. Fluorescence quenching of bovine serum albumin by NNMB

    NASA Astrophysics Data System (ADS)

    Jayabharathi, J.; Jayamoorthy, K.; Thanikachalam, V.; Sathishkumar, R.

    2013-05-01

    A new type of fluorophore 2-(naphthalen-1-yl)-1-((naphthalen-1-yl)methyl)-1H-benzimidazole (NNMB) has been prepared and characterized by 1H NMR, 13C NMR, mass and IR spectral analysis. Absorption, fluorescence and synchronous fluorescence spectral studies have been made for the mutual interaction of NNMB with bovine serum albumin (BSA). Absorption spectroscopy proved the formation of a ground state BSA…NNMB complex. Fluorescence spectrum of BSA in the presence of NNMB clearly shows that NNMB acts as a quencher. Based on the theory of Forester's non-radiation energy transfer (FRET) binding distance has been deduced. The Stern-Volmer quenching constant (KSV), binding site number (n), apparent binding constant (KA) and corresponding thermodynamic parameters (ΔG, ΔH and ΔS) were determined.

  17. Silver nanoclusters emitting weak NIR fluorescence biomineralized by BSA

    NASA Astrophysics Data System (ADS)

    Li, Baoshun; Li, Jianjun; Zhao, Junwu

    2015-01-01

    Noble metal (e.g., gold and silver) nanomaterials possess unique physical and chemical properties. In present work, silver nanoclusters (also known as silver quantum clusters or silver quantum dots) were synthesized by bovine serum albumin (BSA) biomineralization. The synthesized silver nanoclusters were characterized by UV-VIS absorption spectroscopy, fluorescence spectroscopy, upconversion emission spectroscopy, TEM, HRTEM and FTIR spectroscopy. TEM results showed that the average size of the silver nanoclusters was 2.23 nm. Fluorescence results showed that these silver nanoclusters could emit weak near-infrared (NIR) fluorescence (the central emission wavelength being about 765 nm). And the central excitation wavelength was about 395 nm, in the UV spectral region. These silver nanoclusters showed an extraordinarily large gap (about 370 nm) between the central excitation wavelength and central emission wavelength. In addition, it was found that these silver nanoclusters possess upconversion emission property. Upconversion emission results showed that the upconversion emission spectrum of the silver nanoclusters agreed well with their normal fluorescence emission spectrum. The synthesized silver nanoclusters showed high stability in aqueous solution and it was considered that they might be confined in BSA molecules. It was found that silver nanoclusters might enhance and broaden the absorption of proteins, and the protein absorption peak showed an obvious red shift (being 7 nm) after the formation of silver nanoclusters.

  18. Theoretical Investigations of Optical Origins of Fluorescent Graphene Quantum Dots

    PubMed Central

    Wang, Jingang; Cao, Shuo; Ding, Yong; Ma, Fengcai; Lu, Wengang; Sun, Mengtao

    2016-01-01

    The optical properties of graphene quantum dots (GQDs) were investigated theoretically. We focused on the photoinduced charge transfer and electron-hole coherence of single-layer graphene in the electronic transitions in the visible regions. Surface functionalization with donor or acceptor groups produced a red shift in the absorption spectrum, and electrons and holes were highly delocalized. The recombination of excited, well-separated electron-hole (e–h) pairs can result in enhanced fluorescence. This fluorescence enhancement by surface functionalization occurs because of the decreased symmetry of the graphene resulting from the roughened structure of the surface-functionalized GQDs. PMID:27094439

  19. Theoretical Investigations of Optical Origins of Fluorescent Graphene Quantum Dots

    NASA Astrophysics Data System (ADS)

    Wang, Jingang; Cao, Shuo; Ding, Yong; Ma, Fengcai; Lu, Wengang; Sun, Mengtao

    2016-04-01

    The optical properties of graphene quantum dots (GQDs) were investigated theoretically. We focused on the photoinduced charge transfer and electron-hole coherence of single-layer graphene in the electronic transitions in the visible regions. Surface functionalization with donor or acceptor groups produced a red shift in the absorption spectrum, and electrons and holes were highly delocalized. The recombination of excited, well-separated electron-hole (e–h) pairs can result in enhanced fluorescence. This fluorescence enhancement by surface functionalization occurs because of the decreased symmetry of the graphene resulting from the roughened structure of the surface-functionalized GQDs.

  20. Modelling GPP and chlorophyll fluorescence using SCOPE (Invited)

    NASA Astrophysics Data System (ADS)

    van der Tol, C.; Verhoef, W.

    2009-12-01

    Chlorophyll fluorescence of Photosystem II (PSII) is a measure for photosynthetic processes and the functional state of the vegetation. Research in the past has focused on the active (light-induced) measurement of fluorescence at leaf and field scale. Current research focuses on the potential of satellite remote sensing of passive (solar-induced) chlorophyll fluorescence of PSII to monitor photosynthetic processes of terrestrial vegetation at large spatial scales. This research includes the relationship between top-of-canopy (TOC) fluorescence and gross primary production (GPP). The recently developed model SCOPE simulates this relationship using three sub-models. The first sub-model (FLUSPECT) is based on PROSPECT and describes leaf fluorescence spectra as a function of their chemical composition. The second sub-model describes the effects of leaf temperature, humidity and irradiance on these spectra and on actual photosynthesis. The third sub-model is a canopy level radiative transfer model, which calculates the scattering and absorption of solar radiation and fluorescence within a canopy, and computes the TOC spectrum of fluorescence in observation direction. A sensitivity analysis of the model shows a strong relationship between solar induced fluorescence and GPP at canopy level. This relationship is consistent with data from field campaigns. Fluorescence and GPP are sensitive to stress conditions including high leaf temperatures and water stress.

  1. Two-dimensional fluorescence spectroscopy of laser-produced plasmas.

    PubMed

    Harilal, S S; LaHaye, N L; Phillips, M C

    2016-08-01

    We use a two-dimensional laser-induced fluorescence spectroscopy technique to measure the coupled absorption and emission properties of atomic species in plasmas produced via laser ablation of a solid aluminum target at atmospheric pressure. Emission spectra from the Al I 394.4 nm and Al I 396.15 nm transitions are measured while a frequency-doubled, continuous wave (cw) Ti:sapphire laser is tuned across the Al I 396.15 nm transition. The resulting two-dimensional spectra show the energy coupling between the two transitions via increased emission intensity for both transitions during resonant absorption of the cw laser at one transition. Time-delayed, gated detection of the emission spectrum is used to isolate resonantly excited fluorescence emission from thermally excited emission from the plasma. In addition, the tunable cw laser measures the absorption spectrum of the Al transition with ultrahigh resolution after the plasma has cooled, resulting in narrower spectral linewidths than observed in emission spectra. Our results highlight that fluorescence spectroscopy employing cw laser re-excitation after pulsed laser ablation combines benefits of both traditional emission and absorption spectroscopic methods. PMID:27472615

  2. Ultraviolet to near-infrared absorption spectrum of carbon dioxide ice from 0.174 to 1.8 μm

    NASA Astrophysics Data System (ADS)

    Hansen, Gary B.

    2005-11-01

    A laboratory experiment was devised to measure transmission at fine spectral resolution through thick, high-quality samples of CO2 ice over an extended wavelength range. The absorption coefficient throughout the ultraviolet and near-infrared spectral ranges 0.174-1.8 μm (5555-57,470 cm-1 in wave number) is presented here. CO2 ice samples were grown at a temperature of 150 K, typical of the Martian polar caps. The path length of the samples varied from 1.6 to 107.5 mm, allowing the measurement of absorption from <0.1 to 4000 m-1. The experiment used both a grating monochromator (with spectral resolution 0.1-0.3 nm) and a Fourier transform spectrometer (with an effective resolution of <1.0 cm-1). The transmission data for five thicknesses are used to estimate both the scattering losses for each sample and the absorption coefficient at each wavelength. The uncertainty in the most transparent wavelength regions (<10 m-1) is due to scattering extinction. Measurement noise and data scatter produce significant uncertainty only where absorption coefficients exceed 1000 m-1. Between 1.0 and 1.8 μm there are several weak to moderate absorption lines. Only an upper limit to the absorption can be determined in many places; e.g., the absorption from ~0.25 to 1.0 μm is below the detection limit. The estimated visible absorption, ~10-2 m-1, is a factor of 1000 smaller than the values reported by Egan and Spagnolo, which have been used previously to compute albedos of CO2 snow. The new results should be useful for studies of the seasonal polar caps of Mars.

  3. Zinc mobility and speciation in soil covered by contaminated dredged sediment using micrometer-scale and bulk-averaging X-ray fluorescence, absorption and diffraction techniques

    NASA Astrophysics Data System (ADS)

    Isaure, Marie-Pierre; Manceau, Alain; Geoffroy, Nicolas; Laboudigue, Agnès; Tamura, Nobumichi; Marcus, Matthew A.

    2005-03-01

    The mobility and solid-state speciation of zinc in a pseudogley soil (pH = 8.2-8.3) before and after contamination by land-disposition of a dredged sediment ([Zn] = 6600 mg kg -1) affected by smelter operations were studied in a 50 m 2 pilot-scale test site and the laboratory using state-of-the-art synchrotron-based techniques. Sediment disposition on land caused the migration of micrometer-sized, smelter-related, sphalerite (ZnS) and franklinite (ZnFe 2O 4) grains and dissolved Zn from the sediment downwards to a soil depth of 20 cm over a period of 18 months. Gravitational movement of fine-grained metal contaminants probably occurred continuously, while peaks of Zn leaching were observed in the summer when the oxidative dissolution of ZnS was favored by non-flooding conditions. The Zn concentration in the <50 μm soil fraction increased from ˜61 ppm to ˜94 ppm in the first 12 months at 0-10 cm depth, and to ˜269 ppm in the first 15 months following the sediment deposition. Higher Zn concentrations and enrichments were observed in the fine (<2 μm) and very fine (<0.2 μm) fractions after 15 months (480 mg kg -1 and 1000 mg kg -1, respectively), compared to 200 mg kg -1 in the <2 μm fraction of the initial soil. In total, 1.2% of the Zn initially present in the sediment was released to the environment after 15 months, representing an integrated quantity of ˜4 kg Zn over an area of 50 m 2. Microfocused X-ray fluorescence (XRF), diffraction (XRD) and extended X-ray absorption fine structure (EXAFS) spectroscopy techniques were used to image chemical associations of Zn with Fe and Mn, and to identify mineral and Zn species in selected points-of-interest in the uncontaminated and contaminated soil. Bulk average powder EXAFS spectroscopy was used to quantify the proportion of each Zn species in the soil. In the uncontaminated soil, Zn is largely speciated as Zn-containing phyllosilicate, and to a minor extent as zincochromite (ZnCr 2O 4), IVZn-sorbed turbostratic

  4. Fluorescent optical position sensor

    DOEpatents

    Weiss, Jonathan D.

    2005-11-15

    A fluorescent optical position sensor and method of operation. A small excitation source side-pumps a localized region of fluorescence at an unknown position along a fluorescent waveguide. As the fluorescent light travels down the waveguide, the intensity of fluorescent light decreases due to absorption. By measuring with one (or two) photodetectors the attenuated intensity of fluorescent light emitted from one (or both) ends of the waveguide, the position of the excitation source relative to the waveguide can be determined by comparing the measured light intensity to a calibrated response curve or mathematical model. Alternatively, excitation light can be pumped into an end of the waveguide, which generates an exponentially-decaying continuous source of fluorescent light along the length of the waveguide. The position of a photodetector oriented to view the side of the waveguide can be uniquely determined by measuring the intensity of the fluorescent light emitted radially at that location.

  5. Natural speciation of Mn, Ni and Zn at a micrometer scale in aclayey paddy soil using X-ray fluorescence, absorption anddiffraction

    SciTech Connect

    Manceau, Alain; Tommaseo, Caterina; Rihs, Sophie; Geoffroy,Nicolas; Chateigner, Daniel; Schlegel, Michel; Tisserand, Delphine; Marcus, Matthew A.; Tamura, Nobumichi; Chen, Zueng-Sang

    2005-08-29

    The natural speciation of Mn (0.19 g/kg), Ni (46 mg/kg), and Zn (42 mg/kg) in the argillic horizon (120 cm depth, pH = 5.6) of an Ultisol from a paddy soil in northern Taiwan was investigated by advanced X-ray synchrotron techniques. Microchemical associations were imaged by synchrotron-based X-ray microfluorescence, host minerals were identified by standard and micrometer-resolved X-ray diffraction, and the local coordination environment of Mn, Ni, and Zn was probed using extended X-ray absorption fine structure (EXAFS) spectroscopy on a powdered sample and a soil thin section, and polarized EXAFS spectroscopy on a highly textured self-supporting clay film from the <2 mu m fraction of the soil. Manganese was concentrated in Fe-Mn soft mottles (44.4 g/kg) as turbostratic hexagonal birnessite and lithiophorite having Mn3+/Mn4+atomic ratios of {approx} 20 percent and 50 percent, respectively. Quantitative analysis of high-order scattering paths of the EXAFS spectrum for natural and synthetic (Al0.67Li0.32)(Mn0.684+Mn0.323+)O2(OH)2 lithiophorite revealed that Mn3+ and Mn4+ are ordered in the[(Mn0.684+Mn0.323+)O2]0.32- layer. A structural model is proposed, in which Mn4+ and Mn3+ are ordered similarly to Al and Li in the [(Al0.673+Li0.32+)(OH)2]0.32- layer, with Mn3+ cations being surrounded by six Mn4+, and Mn4+ cations by three Mn3+ and three Mn4+. Similar cation ordering in the manganese and aluminum layers likely provides a more homogeneous local balance of the excess and deficit of charges in each layer and increases the stability of lithiophorite. Ni (r = 0.70Angstrom) substitutes for Mn(r(Mn4+) = 0.54 Angstrom, r(Mn3+) = 0.65Angstrom) in the manganese layer in the natural lithiophorite. In contrast, Zn(r = 0.74 Angstrom) fills vacant sites in the gibbsitic layer of natural lithiophorite, in a similar manner as lithium (r = 0.74) Angstrom in synthetic lithiophorite. The partitioning of Ni and Zn between the two layers is a result of the general preference of Ni

  6. Improved Charge-Transfer Fluorescent Dyes

    NASA Technical Reports Server (NTRS)

    Meador, Michael

    2005-01-01

    Improved charge-transfer fluorescent dyes have been developed for use as molecular probes. These dyes are based on benzofuran nuclei with attached phenyl groups substituted with, variously, electron donors, electron acceptors, or combinations of donors and acceptors. Optionally, these dyes could be incorporated as parts of polymer backbones or as pendant groups or attached to certain surfaces via self-assembly-based methods. These dyes exhibit high fluorescence quantum yields -- ranging from 0.2 to 0.98, depending upon solvents and chemical structures. The wavelengths, quantum yields, intensities, and lifetimes of the fluorescence emitted by these dyes vary with (and, hence, can be used as indicators of) the polarities of solvents in which they are dissolved: In solvents of increasing polarity, fluorescence spectra shift to longer wavelengths, fluorescence quantum yields decrease, and fluorescence lifetimes increase. The wavelengths, quantum yields, intensities, and lifetimes are also expected to be sensitive to viscosities and/or glass-transition temperatures. Some chemical species -- especially amines, amino acids, and metal ions -- quench the fluorescence of these dyes, with consequent reductions in intensities, quantum yields, and lifetimes. As a result, the dyes can be used to detect these species. Another useful characteristic of these dyes is a capability for both two-photon and one-photon absorption. Typically, these dyes absorb single photons in the ultraviolet region of the spectrum (wavelengths < 400 nm) and emit photons in the long-wavelength ultraviolet, visible, and, when dissolved in some solvents, near-infrared regions. In addition, these dyes can be excited by two-photon absorption at near-infrared wavelengths (600 to 800 nm) to produce fluorescence spectra identical to those obtained in response to excitation by single photons at half the corresponding wavelengths (300 to 400 nm). While many prior fluorescent dyes exhibit high quantum yields

  7. The dependence of the ultrafast relaxation kinetics of the S2 and S1 states in β-carotene homologs and lycopene on conjugation length studied by femtosecond time-resolved absorption and Kerr-gate fluorescence spectroscopies

    NASA Astrophysics Data System (ADS)

    Kosumi, Daisuke; Fujiwara, Masazumi; Fujii, Ritsuko; Cogdell, Richard J.; Hashimoto, Hideki; Yoshizawa, Masayuki

    2009-06-01

    The ultrafast relaxation kinetics of all-trans-β-carotene homologs with varying numbers of conjugated double bonds n(n =7-15) and lycopene (n =11) has been investigated using femtosecond time-resolved absorption and Kerr-gate fluorescence spectroscopies, both carried out under identical excitation conditions. The nonradiative relaxation rates of the optically allowed S2(1Bu+1) state were precisely determined by the time-resolved fluorescence. The kinetics of the optically forbidden S1(2Ag-1) state were observed by the time-resolved absorption measurements. The dependence of the S1 relaxation rates upon the conjugation length is adequately described by application of the energy gap law. In contrast to this, the nonradiative relaxation rates of S2 have a minimum at n =9 and show a reverse energy gap law dependence for values of n above 11. This anomalous behavior of the S2 relaxation rates can be explained by the presence of an intermediate state (here called the Sx state) located between the S2 and S1 states at large values of n (such as n =11). The presence of such an intermediate state would then result in the following sequential relaxation pathway S2→Sx→S1→S0. A model based on conical intersections between the potential energy curves of these excited singlet states can readily explain the measured relationships between the decay rates and the energy gaps.

  8. [Derivative fluorescence probe recognition results of the light physical mechanism of metal ions].

    PubMed

    Dai, Yu-mei; Hu, Xiao-jun; Li, Fu-jun; Xie, Yu-meng; Zhao, Yang-yang; Zhou, Qiao

    2015-02-01

    As people deeply study the electronic spectra of fluorescent compounds and photophysical behavior, enormous progress has been made in the aspect of changes and states of different systems in the use of fluorescent molecules as probes. PTC-DA is a kind of typical fluorescent molecular probe that is highly sensitive and selective in water environment. This paper makes a research on the physical mechanism of light of PTCDA by TDF (Density Functional Theory), calculates the optimal configuration the charge population and excitation spectra of PTCDA molecules under ideal condition and acquires PTCDA fluorescence emission spectra then analyses that PTCDA is a kind of quenching and dual colorimetric signal probe response. Its optical signal response mechanism belongs to ICT (Intramolecular Charge Transfer) mechanism. According to the results, this perylene derivatives is fitted with Cu2+ excited state absorption spectra. Before and after the combination with Cu2+, the peak shape of absorption spectrum is similar. When copper is added, the overall absorption peak position occurred redshift, quenching discoloration happens. By comparing with experimental values, the calculated molecular configuration is reasonable and effective and the peak of excitation spectra is realistic. Analysis shows that: PTCDA molecules divalent copper ions have better fluorescence detection activity, the optical signal response mechanisms are intramolecular charge transfer (ICT) mechanisms. When a molecule receives divalent copper ions, the absorption spectrum peak position redshifts, intramolecular charge transfer direction and intensity changes. There occur both quenching signal and discoloration signal. It is a kind of fluorescent probe material with double quenching and discoloration fluorescent signal, which has great potential for development. This paper makes an early-stage exploration of the physical mechanism of light response mechanism analysis in molecular fluorescent probe field and

  9. Absorption and fluorescence of dissolved organic matter in the waters of the Canadian Arctic Archipelago, Baffin Bay, and the Labrador Sea

    NASA Astrophysics Data System (ADS)

    Guéguen, Céline; Cuss, Chad W.; Cassels, Chase J.; Carmack, Eddy C.

    2014-03-01

    The optical properties of dissolved organic matter (DOM) were investigated for the first time in the Canadian Arctic Archipelago (CAA), Baffin Bay (BB), and Labrador Sea (LS) as part of the International Polar Year Canada's Three Oceans project (C3O). The dynamics and composition of absorbing DOM (i.e., colored DOM, or CDOM) and fluorescent DOM (FDOM) were evaluated in several distinct water masses occupying the three regions: surface waters, Arctic outflow waters, West Greenland Intermediate waters (WGIW), upper Labrador Sea waters (uLSW), and Bottom Baffin Deep Water (BBDW). Four fluorescent components were identified by applying parallel factor analysis (PARAFAC) to 522 excitation emission matrix (EEM) spectra: three humic-like and one protein-like. The FDOM in surface waters of the CAA and BB differed considerably in character from those of the LS, with higher fluorescence intensity in the former. The fluorescence intensities of the two terrestrial humic-like components (C1 and C3) were linearly correlated with apparent oxygen utilization (AOU) in the CAA Arctic outflow and the WGIW whereas only humic-like C3 was significantly correlated with AOU in uLSW. These findings suggest that the humic-like components were produced in situ as organic matter was bio-oxidized. The slopes of the linear relationship between humic-like intensity and AOU were significantly greater in the WGIW relative to the Arctic outflow waters, which implies that FDOM in the Arctic-derived deeper layer was less prone to mineralization.

  10. Aequorea green fluorescent protein analysis by flow cytometry

    SciTech Connect

    Ropp, J.D.; Cuthbertson, R.A.; Donahue, C.J.; Wolfgang-Kimball, D.

    1995-12-01

    The isolation and expression of the cDNA for the green fluorescent protein (GFP) from the bioluminescent jellyfish Aequorea victoria has highlighted its potential use as a marker for gene expression in a variety of cell types. The longer wavelength peak (470 nm) of GFP`s bimodal absorption spectrum better matches standard fluorescein filter sets; however, it has a considerably lower amplitude than the major absorption peak at 395. In an effort to increase the sensitivity of GFP with routinely available instrumentation, Heim et al. have generated a GFP mutant (serine-65 to threonine; S65T-GFP) which possesses a single absorption peak centered at 490 nm. We have constructed this mutant in order to determine whether it or wild-type GFP (wt-GFP) afforded greater sensitivity when excited near their respective absorption maxima. Using the conventionally available 488 nm and ultraviolet (UV) laser lines from the argon ion laser as well as the 407 nm line from a krypton ion laser with enhanced violet emission, we were able to closely match the absorption maxima of both the S65T and wild-type forms of Aequorea GFP and analyze differences in fluorescence intensity of transiently transfected 293 cells with flow cytometry. The highest fluorescence signal was observed with 488 nm excitation of S65T-GFP relative to all other laser line/GFP pairs. The wt-GFP fluorescence intensity, in contrast, was significantly higher at 407 nm relative to either 488 nm or UV. These results were consistent with parallel spectrofluorometric analysis of the emission spectrum for wt-GFP and S65T- GFP. The relative contribution of cellular autofluorescence at each wavelength was also investigated and shown to be significantly reduced at 407 nm relative to either UV or 488 nm. 29 refs., 5 figs.

  11. Study on the Mechanism of Interaction Between Tubeimoside I and Human Serum Albumin at Different Temperatures by Three-Dimensional Fluorescence Spectrum

    NASA Astrophysics Data System (ADS)

    Lin, Xiaogang; Li, Wenchao; Ye, Changbin; Liu, Zhiyuan

    2015-06-01

    Tubeimoside (TBMS), the bulb of Bolbostemma paniculatum (Maxim.) Franquet (Cucurbitaceae), is one of the traditional Chinese medicines often used for the treatment of tumors as well as for detoxication. Tubeimoside I (TBMS I) is one of the main active ingredients of TBMS, the mechanism of action of which remains unknown. Human serum albumin (HSA) is the most abundant carrier protein in blood circulation. Three-dimensional (3D) fluorescence spectra and the excitation-emission matrix of interaction between TBMS I and HSA were measured at different temperatures. The results showed that HSA fluorescence was quenched by TBMS I through a static quenching mechanism. Also, the HSA fluorescence was quenched with the temperature increase from 283 K to 353 K. 3D spectral results revealed the changes in the secondary structure of HSA upon interaction with TBMS I.

  12. Site-specific fluorescence spectrum detection and characterization of hASIC1a channels upon toxin mambalgin-1 binding in live mammalian cells.

    PubMed

    Wen, Ming; Guo, Xiaoqi; Sun, Peibei; Xiao, Liang; Li, Juan; Xiong, Ying; Bao, Jin; Xue, Tian; Zhang, Longhua; Tian, Changlin

    2015-05-11

    The synthesis of fluorescent unnatural amino-acid Anap was optimized and the Anap was incorporated into four sites in an acid-pocket or a transmembrane region of human acid-sensing ion channel-1a (hASIC1a). Combinational Anap fluorescence spectra and patch-clamp electrophysiology data illustrated site-specific conformational responses upon toxin mambalgin-1 binding. This combinational approach can be used to analyse conformational properties of many different eukaryotic proteins in their functional states, in a site-specific manner in live mammalian cells. PMID:25873388

  13. XMM-Newton/Reflection Grating Spectrometer detection of the missing interstellar O VII Kα absorption line in the spectrum of Cyg X-2

    NASA Astrophysics Data System (ADS)

    Cabot, Samuel H. C.; Wang, Q. Daniel; Yao, Yangsen

    2013-05-01

    The hot interstellar medium is an important part of the Galactic ecosystem and can be effectively characterized through X-ray absorption line spectroscopy. However, in a study of the hot medium using the accreting neutron star X-ray binary, Cyg X-2, as a background light source, a mystery came about when the putatively strong O VII Kα line was not detected in Chandra grating observations, while other normally weaker lines such as O VII Kβ as well as O VI and O VIII Kα are clearly present. We have investigated the grating spectra of Cyg X-2 from 10 XMM-Newton observations, in search of the missing line. We detect it consistently in nine of these observations, but the line is absent in the remaining one observation or is inconsistent with the detection in others at a ˜4σ confidence level. This absence of the line resembles that seen in the Chandra observations. Similarly, the O VI Kα line is found to disappear occasionally, but not in concert with the variation of the O VII Kα line. All these variations are most likely due to the presence of changing O VII and O VI Kα emission lines of Cyg X-2, which are blurred together with the absorption ones in the X-ray spectra. A re-examination of the Chandra grating data indeed shows evidence for a narrow emission line slightly off the O VI Kα absorption line. We further show that narrow N V emission lines with varying centroids and fluxes are present in far-ultraviolet spectra from the Cosmic Origins Spectrograph aboard the Hubble Space Telescope. These results provide new constraints on the accretion around the neutron star and on the X-ray-heating of the stellar companion. The understanding of these physical processes is also important to the fidelity of using such local X-ray binaries for interstellar absorption line spectroscopy.

  14. 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.

  15. A new highly selective, ratiometric and colorimetric fluorescence sensor for Cu(2+) with a remarkable red shift in absorption and emission spectra based on internal charge transfer.

    PubMed

    Goswami, Shyamaprosad; Sen, Debabrata; Das, Nirmal Kumar

    2010-02-19

    A new 1,8-diaminonaphthalene based ratiometric and highly selective colorimetric "off-on" type of fluorescent probe, receptor 2 has been designed and synthesized that senses only Cu(2+) among the other heavy and transition metal ions examined on the basis of internal charge transfer (ICT). The visual sensitivity of the receptor 2 is remarkable, showing dual color changes from colorless (receptor) to purple followed by blue and a large red shift in emission upon Cu(2+) complexation. PMID:20104900

  16. The two-photon excitation cross section of 6MAP, a fluorescent adenine analogue.

    PubMed

    Stanley, Robert J; Hou, Zhanjia; Yang, Aiping; Hawkins, Mary E

    2005-03-01

    6MAP is a fluorescent analogue of adenine that undergoes Watson-Crick base pairing and base stacking in double-stranded DNA. The one-photon absorption spectrum of 6MAP is characterized by a maximum around 330 nm with moderate quantum yield fluorescence centered at about 420 nm. To take advantage of this probe for confocal and single-molecule microscopy, it would be advantageous to be able to excite the analogue via two photons. We report the first determination of the two-photon excitation cross section and spectrum for 6MAP from 614 to 700 nm. The power dependence of the fluorescence indicates that emission results from the absorption of two photons. The one-photon and two-photon emission line shapes are identical within experimental error. A study of the concentration dependence of the fluorescence yield for one-photon excitation shows no measurable quenching up to about 5 microM. The maximum in the two-photon excitation spectrum gives a two-photon cross section, delta(TPE), of 3.4 +/- 0.1 Goeppert-Mayer (G.M.) at 659 nm, which correlates well with the one-photon absorption maximum. This compares quite favorably with cross sections of various naturally fluorescent biological molecules such as flavins and nicotiamide. In addition, we have also obtained the two-photon-induced fluorescence emission spectrum of quinine sulfate. It is approximately the same as that for one-photon excitation, suggesting that two-photon excitation of quinine sulfate may be used for calibration purposes. PMID:16851408

  17. 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.

  18. 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

    2014-01-01

    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. PMID:24128921

  19. An advanced fluorescence LIDAR system for the acquisition of interleaved active (LIF) and passive (SIF) fluorescence measurements on vegetation

    NASA Astrophysics Data System (ADS)

    Raimondi, Valentina; Palombi, Lorenzo; Di Ninni, Paola

    2015-10-01

    Fluorescence is regarded as a valuable tool to investigate the eco-physiological status of vegetation. Chlorophyll a, which emits a typical fluorescence in the red/far-red region of the e.m. spectrum, plays a key role in the photosynthetic process and its fluorescence is considered an effective proxy of photosynthetic activity of plants. Laser Induced Fluorescence (LIF) has been studied for several decades both at leaf- and canopy-level by means of optical fibers-coupled instrumentation and fluorescence LIDAR systems. On the other hand, Solar-Induced Fluorescence (SIF) has been the object of several scientific studies quite recently, with the aim to investigate the feasibility of measuring the fluorescence of vegetation using passive spectroradiometers in view of global scale monitoring from satellite platforms. This paper presents the main technical features and preliminary tests of a fluorescence LIDAR, recently upgraded to acquire maps of interleaved LIF and SIF measurements at canopy level. In-house developed electronics and software permits the acquisition of interleaved LIF and SIF spectra by switching on/off the laser, the selection of the suitable grating, the setting of the integration time and the synchronization of the Intensified CCD (ICCD) gate opening time. For each pixel of the map, a fluorescence dataset can be acquired containing a LIF spectrum - from 570 nm to 830 nm with a spectral resolution of 0.5 nm - and radiance spectra from 685.53 nm to 690.30 nm with subnanometric spectral resolution containing the molecular oxygen O2-B telluric absorption band. The latter can be exploited for polynomial regression data fit and SIF retrieval.

  20. The X-ray absorption spectrum of 4U1700-37 and its implications for the stellar wind of the companion HD153919

    NASA Technical Reports Server (NTRS)

    White, N. E.; Kallman, T. R.; Swank, J. H.

    1982-01-01

    The first high resolution non-dispersive 2-60 KeV X-ray spectra of 4U1700-37 is presented. The continuum is typical of that found from X-ray pulsars; that is a flat power 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%. 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 o 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% 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.

  1. Pressure-dependence on the absorption spectrum of CuMoO 4: study of the green→brownish-red piezochromic phase transition at 2.5 kbar

    NASA Astrophysics Data System (ADS)

    Hernández, D.; Rodríguez, F.; Garcia-Jaca, J.; Ehrenberg, H.; Weitzel, H.

    1999-04-01

    The optical properties of CuMoO 4 are investigated by means of hydrostatic pressure techniques in the 0-60 kbar range. Attention is paid to the piezochromism exhibited by this crystal at the α (green)→γ (brownish red) structural phase transition. The variation of the absorption spectra with pressure indicates that the piezochromic transition takes place at 2.5 kbar. The associated change of colour is due to the broadening of the first O 2-→Cu 2+ charge transfer band and the disappearance of an intense band at 12000 cm -1, related to the presence of pyramidal CuO 5 complexes in α-CuMoO 4. The measured oscillator strength suggests that this band corresponds to the e→b 1 crystal field transition rather than to a charge transfer within CuO 5. The structural correlation with the absorption spectra performed in this work explains the strong dichroism exhibited by the crystal in the high-pressure γ-CuMoO 4.

  2. Evaluation of solar stimulated CDOM fluorescence and its impact on the closure of remote sensing reflectance

    NASA Astrophysics Data System (ADS)

    Zhou, J.; Tonizzo, A.; Ioannou, I.; Hlaing, S.; Gilerson, A.; Gross, B.; Moshary, F.; Ahmed, S.

    2009-08-01

    As a result of rich nutrient and terrestrial influence dissolved organic matter plays an important role in determining the optical properties of coastal water. Despite the fact that the features of its fluorescence spectroscopy depend on its complicated chemical components, which are source specific, estimation of solar stimulated CDOM fluorescence is usually based on a fixed Gaussian spectral shape or a modeled fluorescence transfer function obtained from extracted fuvic and humic acid. The excitation emission matrix (EEM) and absorption spectrum of CDOM extracted from seawater in various coastal zones are measured using Perkin Elmer fluorescence spectrometer. Unlike previous research, the obtained EEM spectroscopy data after calibration are then entered into the Hydrolight radiative transfer program together with the data of inherent optical properties such as absorption and attenuation simultaneously collected by Wetlabs in-situ instrument package to evaluate realistically the contribution of solar stimulated CDOM fluorescence to the total reflectance in the Hudson River and New York City area. In addition, the CDOM contribution to the total reflectance is evaluated with the presence of other water components based on a depth integrated fluorescence model and a semi-analytical reflectance model. The simulated remote sensing reflectance with the CDOM fluorescence on and off are compared with the field recorded spectra, through which its impact on the closure of ocean color data as well as on the accuracy of estimating backscattering ratio and chlorophyll fluorescence is also assessed.

  3. Undistorted X-ray Absorption Spectroscopy Using s-Core-Orbital Emissions.

    PubMed

    Golnak, Ronny; Xiao, Jie; Atak, Kaan; Unger, Isaak; Seidel, Robert; Winter, Bernd; Aziz, Emad F

    2016-05-12

    Detection of secondary emissions, fluorescence yield (FY), or electron yield (EY), originating from the relaxation processes upon X-ray resonant absorption has been widely adopted for X-ray absorption spectroscopy (XAS) measurements when the primary absorption process cannot be probed directly in transmission mode. Various spectral distortion effects inherent in the relaxation processes and in the subsequent transportation of emitted particles (electron or photon) through the sample, however, undermine the proportionality of the emission signals to the X-ray absorption coefficient. In the present study, multiple radiative (FY) and nonradiative (EY) decay channels have been experimentally investigated on a model system, FeCl3 aqueous solution, at the excitation energy of the Fe L-edge. The systematic comparisons between the experimental spectra taken from various decay channels, as well as the comparison with the theoretically simulated Fe L-edge XA spectrum that involves only the absorption process, indicate that the detection of the Fe 3s → 2p partial fluorescence yield (PFY) gives rise to the true Fe L-edge XA spectrum. The two key characteristics generalized from this particular decay channel-zero orbital angular momentum (i.e., s orbital) and core-level emission-set a guideline for obtaining undistorted X-ray absorption spectra in the future. PMID:27101344

  4. Research of the interaction between kangai injection and human serum albumin by fluorescence spectroscopy

    NASA Astrophysics Data System (ADS)

    Ye, Changbin; Lin, Xiaogang; Zhu, Hao; Li, Wenchao; Wu, Jie

    2015-10-01

    The interaction between drugs and serum albumin is the theoretical basis of pharmacology research. Kangai injection with invigorating Qi, enhancing the immune function, is widely used for a variety of malignant tumor treatment. Fluorescence spectroscopy was adopted due to its high sensitivity and other advantages. The interaction between kangai injection and human serum albumin (HSA) in physiological buffer (pH 7.4) was investigated by fluorescence spectroscopy and UV-Vis absorption spectroscopy. The results of fluorescence spectrum at three temperature (296K, 303K and 310K) showed the degree of binding at 310K is the highest. Also, the maximum emission peak has a slight blue shift, which indicates that the interaction between kangai injection and HSA has an effect on the conformation of HSA. That is, the microenvironment of tryptophan increase hydrophobic due to the increase of the concentration of kangai injection. Results obtained from analysis of fluorescence spectrum and fluorescence intensity indicated that kangai injection has a strong ability to quench the intrinsic fluorescence of HSA. And according to the Stern-Volume equation, the quenching mechanism is static quenching, which is further proved by the UV-Vis absorption spectroscopy.

  5. Formation of aromatic structures from chain hydrocarbons in electrical discharges: absorption and fluorescence study of C11H9(+) and C11H9(•) isomers in neon matrices.

    PubMed

    Nagy, Adam; Fulara, Jan; Maier, John P

    2011-12-14

    A set of arenes (phenylacetylene, indene, and naphthalene cations and C(11)H(9)(+) isomers) was produced from 2,4-hexadiyne diluted in helium in a hot-cathode discharge source. The mass-selected ions were codeposited with neon at 6 K and investigated by electronic absorption spectroscopy. This reveals that fused-ring species are readily formed from an acyclic precursor in such a source. After photobleaching of matrices containing C(11)H(9)(+), neutral C(11)H(9)(•) radicals were also characterized. Assignment of the observed transitions to different m/z = 141 cationic and corresponding neutral isomers is given and supported by experiments using other precursors, fluorescence measurements, and time-dependent density functional and second-order approximate coupled cluster calculations. PMID:22004583

  6. Integrated fluorescence analysis system

    DOEpatents

    Buican, Tudor N.; Yoshida, Thomas M.

    1992-01-01

    An integrated fluorescence analysis system enables a component part of a sample to be virtually sorted within a sample volume after a spectrum of the component part has been identified from a fluorescence spectrum of the entire sample in a flow cytometer. Birefringent optics enables the entire spectrum to be resolved into a set of numbers representing the intensity of spectral components of the spectrum. One or more spectral components are selected to program a scanning laser microscope, preferably a confocal microscope, whereby the spectrum from individual pixels or voxels in the sample can be compared. Individual pixels or voxels containing the selected spectral components are identified and an image may be formed to show the morphology of the sample with respect to only those components having the selected spectral components. There is no need for any physical sorting of the sample components to obtain the morphological information.

  7. Communication: THz absorption spectrum of the CO{sub 2}–H{sub 2}O complex: Observation and assignment of intermolecular van der Waals vibrations

    SciTech Connect

    Andersen, J.; Mahler, D. W.; Larsen, R. Wugt; Heimdal, J.; Nelander, B.

    2014-03-07

    Terahertz absorption spectra have been recorded for the weakly bound CO{sub 2}–H{sub 2}O complex embedded in cryogenic neon matrices at 2.8 K. The three high-frequency van der Waals vibrational transitions associated with out-of-plane wagging, in-plane rocking, and torsional motion of the isotopic H{sub 2}O subunit have been assigned and provide crucial observables for benchmark theoretical descriptions of this systems’ flat intermolecular potential energy surface. A (semi)-empirical value for the zero-point energy of 273 ± 15 cm{sup −1} from the class of intermolecular van der Waals vibrations is proposed and the combination with high-level quantum chemical calculations provides a value of 726 ± 15 cm{sup −1} for the dissociation energy D{sub 0}.

  8. Influence of the size and protonation state of acidic residue 85 on the absorption spectrum and photoreaction of the bacteriorhodopsin chromophore

    NASA Technical Reports Server (NTRS)

    Lanyi, J. K.; Tittor, J.; Varo, G.; Krippahl, G.; Oesterhelt, D.

    1992-01-01

    The consequences of replacing Asp-85 with glutamate in bacteriorhodopsin, as expressed in Halobacterium sp. GRB, were investigated. Similarly to the in vitro mutated and in Escherichia coli expressed protein, the chromophore was found to exist as a mixture of blue (absorption maximum 615 nm) and red (532 nm) forms, depending on the pH. However, we found two widely separated pKa values (about 5.4 and 10.4 without added salt), arguing for two blue and two red forms in separate equilibria. Both blue and red forms of the protein are in the two-dimensional crystalline state. A single pKa, such as in the E. coli expressed protein, was observed only after solubilization with detergent. The photocycle of the blue forms was determined at pH 4.0 with 610 nm photoexcitation, and that of the red forms at pH 10.5 and with 520 nm photoexcitation, in the time-range of 100 ns to 1 s. The blue forms produced no M, but a K- and an L-like intermediate, whose spectra and kinetics resembled those of blue wild-type bacteriorhodopsin below pH 3. The red forms produced a K-like intermediate, as well as M and N. Only the red forms transported protons. Specific perturbation of the neighborhood of the Schiff base by the replacement of Asp-85 with glutamate was suggested by (1) the shift and splitting of the pKa for what is presumably the protonation of residue 85, (2) a 36 nm blue-shift in the absorption of the all-trans red chromophore and a 25 nm red-shift of the 13-cis N chromophore, as compared to wild-type bacteriorhodopsin and its N intermediate, and (3) significant acceleration of the deprotonation of the Schiff base at pH 7, but not of its reprotonation and the following steps in the photocycle.

  9. THE 3-5 {mu}m SPECTRUM OF NGC 1068 AT HIGH ANGULAR RESOLUTION: DISTRIBUTION OF EMISSION AND ABSORPTION FEATURES ACROSS THE NUCLEAR CONTINUUM SOURCE

    SciTech Connect

    Geballe, T. R.; Mason, R. E.; Rodriguez-Ardila, A.; Axon, D. J.

    2009-08-20

    We report moderate resolution 3-5 {mu}m spectroscopy of the nucleus of NGC 1068 obtained at 0.''3 (20 pc) resolution with the spectrograph slit aligned approximately along the ionization cones of the active galactic nucleus. The deconvolved full width at half-maximum of the nuclear continuum source in this direction is 0.''3. Four coronal lines of widely different excitations were detected; the intensity of each peaks near radio knot C, approximately 0.''3 north of the infrared continuum peak, where the radio jet changes direction. Together with the broadened line profiles observed near that location, this suggests that shock ionization is the dominant excitation mechanism of the coronal lines. The depth of the 3.4 {mu}m hydrocarbon absorption is maximum at and just south of the continuum peak, similar to the 10 {mu}m silicate absorption. That and the similar and rapid variations of the optical depths of both features across the nucleus suggest that substantial portions of both arise in a dusty environment just in front of the continuum source(s). A new and tighter limit is set on the column density of CO. Although clumpy models of the dust screen might explain the shallowness of the silicate feature, the presence of the 3.4 {mu}m feature and the absence of CO are strongly reminiscent of Galactic diffuse cloud environments and a consistent explanation for them and the observed silicate feature is found if all three phenomena occur in such an environment, existing as close as 10 pc to the central engine.

  10. NOTE: Fluorescent light effects on FWT-60 radiochromic film

    NASA Astrophysics Data System (ADS)

    Butson, Martin J.; Cheung, Tsang; Yu, Peter K. N.

    2005-08-01

    FWT-60 radiochromic film has been tested for colouration effects from fluorescent light sources and shown to produce a marked colouration when exposed to office fluorescent light sources showing an approximate 1 OD unit per 0.5 J m-2 exposure to a broad ultraviolet (UV) UVA + UVB spectrum at the peak absorption wavelength. This produces a measurable and quantifiable response to UV exposure. By choosing an appropriate wavelength of readout or band pass, the level of sensitivity can be changed to match the application or exposure level measurement required. These levels of UV response are significantly higher in sensitivity than other radiochromic films such as Gafchromic MD-55 by an order of magnitude. This feature may be of use for measurement of integrated UV exposure from fluorescent lights when required and produces a quantifiable history of total exposure.

  11. Fluorescent Pluronic nanodots for in vivo two-photon imaging.

    PubMed

    Maurin, Mathieu; Vurth, Laeticia; Vial, Jean-Claude; Baldeck, Patrice; Marder, Seth R; Van der Sanden, Boudewijn; Stephan, Olivier

    2009-06-10

    We report the synthesis of new nanosized fluorescent probes based on bio-compatible polyethylene-polypropylene glycol (Pluronic) materials. In aqueous solution, mini-emulsification of Pluronic with a high fluorescent di-stryl benzene-modified derivative, exhibiting a two-photon absorption cross section as high as 2500 Goeppert-Mayer units at 800 nm, leads to nanoparticles exhibiting a hydrodynamic radius below 100 nm. We have demonstrated that these new probes with luminescence located in the spectral region of interest for bio-imaging (the yellow part of the visible spectrum) allow deep (500 microm) bio-imaging of the mice brain vasculature. The dose injected during our experiments is ten times lower when compared to the classical commercial rhodamine-B isothicyanate-Dextran system but gives similar results to homogeneous blood plasma staining. The mean fluorescent signal intensity stayed constant during more than 1 h. PMID:19448291

  12. Fluorescent Pluronic nanodots for in vivo two-photon imaging

    NASA Astrophysics Data System (ADS)

    Maurin, Mathieu; Vurth, Laeticia; Vial, Jean-Claude; Baldeck, Patrice; Marder, Seth R.; Sanden, Boudewijn Van der; Stephan, Olivier

    2009-06-01

    We report the synthesis of new nanosized fluorescent probes based on bio-compatible polyethylene-polypropylene glycol (Pluronic) materials. In aqueous solution, mini-emulsification of Pluronic with a high fluorescent di-stryl benzene-modified derivative, exhibiting a two-photon absorption cross section as high as 2500 Goeppert-Mayer units at 800 nm, leads to nanoparticles exhibiting a hydrodynamic radius below 100 nm. We have demonstrated that these new probes with luminescence located in the spectral region of interest for bio-imaging (the yellow part of the visible spectrum) allow deep (500 µm) bio-imaging of the mice brain vasculature. The dose injected during our experiments is ten times lower when compared to the classical commercial rhodamine-B isothicyanate-Dextran system but gives similar results to homogeneous blood plasma staining. The mean fluorescent signal intensity stayed constant during more than 1 h.

  13. Intramolecular charge transfer of 4-(dimethylamino)benzonitrile probed by time-resolved fluorescence and transient absorption: No evidence for two ICT states and a {pi}{sigma}{sup *} reaction intermediate

    SciTech Connect

    Zachariasse, Klaas A.; Druzhinin, Sergey I.; Senyushkina, Tamara; Kovalenko, Sergey A.

    2009-12-14

    For the double exponential fluorescence decays of the locally excited (LE) and intramolecular charge transfer (ICT) states of 4-(dimethylamino)benzonitrile (DMABN) in acetonitrile (MeCN) the same times {tau}{sub 1} and {tau}{sub 2} are observed. This means that the reversible LE<-->ICT reaction, starting from the initially excited LE state, can be adequately described by a two state mechanism. The most important factor responsible for the sometimes experimentally observed differences in the nanosecond decay time, with {tau}{sub 1}(LE)<{tau}{sub 1}(ICT), is photoproduct formation. By employing a global analysis of the LE and ICT fluorescence response functions with a time resolution of 0.5 ps/channel in 1200 channels reliable kinetic and thermodynamic data can be obtained. The arguments presented in the literature in favor of a {pi}{sigma}* state with a bent CN group as an intermediate in the ICT reaction of DMABN are discussed. From the appearance of an excited state absorption (ESA) band in the spectral region between 700 and 800 nm in MeCN for N,N-dimethylanilines with CN, Br, F, CF{sub 3}, and C(=O)OC{sub 2}H{sub 2} p-substituents, it is concluded that this ESA band cannot be attributed to a {pi}{sigma}{sup *} state, as only the C-C{identical_to}N group can undergo the required 120 deg. bending.

  14. Effects of sampling methods on the quantity and quality of dissolved organic matter in sediment pore waters as revealed by absorption and fluorescence spectroscopy.

    PubMed

    Chen, Meilian; Lee, Jong-Hyeon; Hur, Jin

    2015-10-01

    Despite literature evidence suggesting the importance of sampling methods on the properties of sediment pore waters, their effects on the dissolved organic matter (PW-DOM) have been unexplored to date. Here, we compared the effects of two commonly used sampling methods (i.e., centrifuge and Rhizon sampler) on the characteristics of PW-DOM for the first time. The bulk dissolved organic carbon (DOC), ultraviolet-visible (UV-Vis) absorption, and excitation-emission matrixes coupled with parallel factor analysis (EEM-PARAFAC) of the PW-DOM samples were compared for the two sampling methods with the sediments from minimal to severely contaminated sites. The centrifuged samples were found to have higher average values of DOC, UV absorption, and protein-like EEM-PARAFAC components. The samples collected with the Rhizon sampler, however, exhibited generally more humified characteristics than the centrifuged ones, implying a preferential collection of PW-DOM with respect to the sampling methods. Furthermore, the differences between the two sampling methods seem more pronounced in relatively more polluted sites. Our observations were possibly explained by either the filtration effect resulting from the smaller pore size of the Rhizon sampler or the desorption of DOM molecules loosely bound to minerals during centrifugation, or both. Our study suggests that consistent use of one sampling method is crucial for PW-DOM studies and also that caution should be taken in the comparison of data collected with different sampling methods. PMID:25994263

  15. Effects of scattering and absorbing medium in the fluorescence conversion efficiency of physical tissue models

    NASA Astrophysics Data System (ADS)

    Anand, Suresh; Sujatha, N.

    2015-03-01

    Auto-fluorescence spectroscopy based on spectral line shape and intensity has been in use as a promising technique for detecting varying degrees of tissue malignancy. Tissue is a turbid medium with multi-layered structure constituting of different fluorophores, absorbers and scattering molecules. Tumor progression in tissues is ac- companied by varying degrees of biochemical and morphological changes. These include changes in nuclear size and density, epithelial thickness and increase in the hemoglobin (Hb) concentration associated with changes in metabolic activity. These variations in overall tissue scattering and absorption properties in turn modulate the fluorescence spectrum emitted and derived from tissues. Estimation of fluorescence conversion efficiency in the turbid tissue needs to take into account these effects of absorption and scattering in order to be evolved as a parameter for tissue discrimination. In this study, we set to investigate the factors affecting tissue fluorescence conversion efficiency by making use of physical models of the tissue. Liquid tissue models were prepared with different concentrations of absorbing and scattering media to simulate biological tissues of various degrees of malignancy. The results indicate that emitted fluorescence from the tissue model is subjected to variations by multiple scattering events and absorption. The fluorescence conversion efficiency of the models were derived and correlated to the experimental results with possible diagnostic significance.

  16. Element distribution and iron speciation in mature wheat grains (Triticum aestivum L.) using synchrotron X-ray fluorescence microscopy mapping and X-ray absorption near-edge structure (XANES) imaging.

    PubMed

    De Brier, Niels; Gomand, Sara V; Donner, Erica; Paterson, David; Smolders, Erik; Delcour, Jan A; Lombi, Enzo

    2016-08-01

    Several studies have suggested that the majority of iron (Fe) and zinc (Zn) in wheat grains are associated with phytate, but a nuanced approach to unravel important tissue-level variation in element speciation within the grain is lacking. Here, we present spatially resolved Fe-speciation data obtained directly from different grain tissues using the newly developed synchrotron-based technique of X-ray absorption near-edge spectroscopy imaging, coupling this with high-definition μ-X-ray fluorescence microscopy to map the co-localization of essential elements. In the aleurone, phosphorus (P) is co-localized with Fe and Zn, and X-ray absorption near-edge structure imaging confirmed that Fe is chelated by phytate in this tissue layer. In the crease tissues, Zn is also positively related to P distribution, albeit less so than in the aleurone. Speciation analysis suggests that Fe is bound to nicotianamine rather than phytate in the nucellar projection, and that more complex Fe structures may also be present. In the embryo, high Zn concentrations are present in the root and shoot primordium, co-occurring with sulfur and presumably bound to thiol groups. Overall, Fe is mainly concentrated in the scutellum and co-localized with P. This high resolution imaging and speciation analysis reveals the complexity of the physiological processes responsible for element accumulation and bioaccessibility. PMID:27038325

  17. Gritty Surface Sample Holder Invented To Obtain Correct X-ray Absorption Fine Structure Spectra for Concentrated Materials by Fluorescence Yield.

    PubMed

    Abe, Hitoshi; Niwa, Yasuhiro; Kimura, Masao; Murakami, Youichi; Yokoyama, Toshiharu; Hosono, Hideo

    2016-04-01

    A gritty surface sample holder has been invented to obtain correct XAFS spectra for concentrated samples by fluorescence yield (FY). Materials are usually mixed with boron nitride (BN) to prepare proper concentrations to measure XAFS spectra. Some materials, however, could not be mixed with BN and would be measured in too concentrated conditions to obtain correct XAFS spectra. Consequently, XAFS spectra will be incorrect typically with decreased intensities of the peaks. We have invented the gritty surface sample holders to obtain correct XAFS spectra even for concentrated materials for FY measurements. Pure Cu and CuO powders were measured mounted on the sample holders, and the same spectra were obtained as transmission spectra of properly prepared samples. This sample holder is useful to measure XAFS for any concentrated materials. PMID:26978034

  18. Structural and optical study of core–shell InGaN layers of nanorod arrays with multiple stacks of InGaN/GaN superlattices for absorption of longer solar spectrum

    NASA Astrophysics Data System (ADS)

    Bae, Si-Young; Jung, Byung Oh; Lekhal, Kaddour; Lee, Dong-Seon; Deki, Manato; Honda, Yoshio; Amano, Hiroshi

    2016-05-01

    We report on the material and optical properties of core–shell InGaN layers grown on GaN nanorod arrays. The core–shell InGaN layers were well grown on polarization-reduced surfaces such as semipolar pyramids and nonpolar sidewalls. In addition, to compensate the biaxial strain between GaN and InGaN layers, we grew interlayers underneath a thick InGaN layer. Here, the interlayers were composed of multiple superlattice structures. We could observe that the indium composition of core–shell InGaN structures increased with the number of interlayers. This indicates that the absorption energy band of InGaN alloys can be better matched to the spectral irradiance of the solar spectrum in nature. We also implemented a simulation of Ga-polar and nonpolar InGaN-based solar cells based on the indium composition obtained from the experiments. The result showed that nonpolar InGaN solar cells had a much higher efficiency than Ga-polar InGaN solar cells with the same thickness of the absorption layer.

  19. [Distribution and speciation of Pb in Arabidopsis thaliana shoot and rhizosphere soil by in situ synchrotron radiation micro X-ray fluorescence and X-ray absorption near edge structure].

    PubMed

    Shen, Ya-Ting

    2014-03-01

    In order to investigate plant reacting mechanism with heavy metal stress in organ and tissue level, synchrotron radiation micro X-ray fluorescence (micro-SRXRF) was used to determine element distribution characteristics of K, Ca, Mn, Fe, Cu, Zn, Pb in an Arabidopsis thaliana seedling grown in tailing dam soil taken from a lead-zinc mine exploration area. The results showed a regular distribution characters of K, Ca, Fe, Cu and Zn, while Pb appeared not only in root, but also in a leaf bud which was beyond previously understanding that Pb mainly appeared in plant root. Pb competed with Mn in the distribution of the whole seedling. Pb may cause the increase of oxidative stress in root and leaf bud, and restrict Mn absorption and utilization which explained the phenomenon of seedling death in this tailing damp soil. Speciation of Pb in Arabidopsis thaliana and tailing damp rhizosphere soil were also presented after using PbL3 micro X-ray absorption near edge structure (micro-XANES). By comparison of PbL3 XANES peak shape and peak position between standard samples and rhizosphere soil sample, it was demonstrated that the tailing damp soil was mainly formed by amorphous forms like PbO (64.2%), Pb (OH)2 (28.8%) and Pb3O4 (6.3%) rather than mineral or organic Pb speciations. The low plant bioavailability of Pb demonstrated a further research focusing on Pb absorption and speciation conversion is needed, especially the role of dissolve organic matter in soil which may enhance Pb bioavailability. PMID:25208420

  20. In situ analysis of foliar zinc absorption and short-distance movement in fresh and hydrated leaves of tomato and citrus using synchrotron-based X-ray fluorescence microscopy

    PubMed Central

    Du, Yumei; Kopittke, Peter M.; Noller, Barry N.; James, Simon A.; Harris, Hugh H.; Xu, Zhi Ping; Li, Peng; Mulligan, David R.; Huang, Longbin

    2015-01-01

    Background and Aims Globally, zinc deficiency is one of the most important nutritional factors limiting crop yield and quality. Despite widespread use of foliar-applied zinc fertilizers, much remains unknown regarding the movement of zinc from the foliar surface into the vascular structure for translocation into other tissues and the key factors affecting this diffusion. Methods Using synchrotron-based X-ray fluorescence microscopy (µ-XRF), absorption of foliar-applied zinc nitrate or zinc hydroxide nitrate was examined in fresh leaves of tomato (Solanum lycopersicum) and citrus (Citrus reticulatus). Key Results The foliar absorption of zinc increased concentrations in the underlying tissues by up to 600-fold in tomato but only up to 5-fold in citrus. The magnitude of this absorption was influenced by the form of zinc applied, the zinc status of the treated leaf and the leaf surface to which it was applied (abaxial or adaxial). Once the zinc had moved through the leaf surface it appeared to bind strongly, with limited further redistribution. Regardless of this, in these underlying tissues zinc moved into the lower-order veins, with concentrations 2- to 10-fold higher than in the adjacent tissues. However, even once in higher-order veins, the movement of zinc was still comparatively limited, with concentrations decreasing to levels similar to the background within 1–10 mm. Conclusions The results advance our understanding of the factors that influence the efficacy of foliar zinc fertilizers and demonstrate the merits of an innovative methodology for studying foliar zinc translocation mechanisms. PMID:25399024