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Sample records for chromophore concentrations absorption

  1. Predicting dissolved lignin phenol concentrations in the coastal ocean from chromophoric dissolved organic matter (CDOM absorption coefficients

    Directory of Open Access Journals (Sweden)

    Cédric G. Fichot

    2016-02-01

    Full Text Available Dissolved lignin is a well-established biomarker of terrigenous dissolved organic matter (DOM in the ocean, and a chromophoric component of DOM. Although evidence suggests there is a strong linkage between lignin concentrations and chromophoric DOM (CDOM absorption coefficients in coastal waters, the characteristics of this linkage and the existence of a relationship that is applicable across coastal oceans remain unclear. Here, 421 paired measurements of dissolved lignin concentrations (sum of 9 lignin phenols and CDOM absorption coefficients (ag(λ were used to examine their relationship along the river-ocean continuum (0-37 salinity and across contrasting coastal oceans (sub-tropical, temperate, high-latitude. Overall, lignin concentrations spanned four orders of magnitude and revealed a strong, non-linear relationship with ag(λ. The characteristics of the relationship (shape, wavelength dependency, lignin-composition dependency and evidence from degradation indicators were all consistent with lignin being an important driver of CDOM variability in coastal oceans, and suggested physical mixing and long-term photodegradation were important in shaping the relationship. These observations were used to develop two simple empirical models for estimating lignin concentrations from ag(λ with a +/- 20% error relative to measured values. The models are expected to be applicable in most coastal oceans influenced by terrigenous inputs.

  2. Investigation of two-photon absorption induced excited state absorption in a fluorenyl-based chromophore.

    Science.gov (United States)

    Li, Changwei; Yang, Kun; Feng, Yan; Su, Xinyan; Yang, Junyi; Jin, Xiao; Shui, Min; Wang, Yuxiao; Zhang, Xueru; Song, Yinglin; Xu, Hongyao

    2009-12-01

    Two-photon absorption induced excited state absorption in the solution of a new fluorenyl-based chromophore is investigated by a time-resolved pump-probe technique using femtosecond pulses. With the help of an additional femtosecond open-aperture Z-scan technique, numerical simulations based on a three-energy level model are used to interpret the experimental results, and we determine the nonlinear optical parameters of this new chromophore uniquely. Large two-photon absorption cross section and excited state absorption cross section for singlet excited state are obtained, indicating a good candidate for optical limiting devices. Moreover, the influence of two-beam coupling induced energy transfer in neat N,N'-dimethylformamide solvent is also considered, although this effect is strongly restrained by the instantaneous two-photon absorption. PMID:19894682

  3. Absorption tuning of the green fluorescent protein chromophore: synthesis and studies of model compounds

    DEFF Research Database (Denmark)

    Brøndsted Nielsen, Mogens; Andersen, Lars Henrik; Rinza, Tomás Rocha

    2011-01-01

    The green fluorescent protein (GFP) chromophore is a heterocyclic compound containing a p-hydroxybenzylidine attached to an imidazol-5(4H)-one ring. This review covers the synthesis of a variety of model systems for elucidating the intrinsic optical properties of the chromophore in the gas phase...... and its response in particular to hydrogen bond interactions. The overall goal is to understand how the protein binding pocket influences the absorption behavior, and the current status of our ongoing efforts is presented....

  4. Simultaneous control of emission localization and two-photon absorption efficiency in dissymmetrical chromophores

    Energy Technology Data Exchange (ETDEWEB)

    Tretiak, Sergei [Los Alamos National Laboratory

    2009-01-01

    The aim of the present work is to demonstrate that combined spectral tuning of fluorescence and two-photon absorption (TPA) properties of multipolar chromophores can be achieved by introduction of slight electronic chemical dissymmetry. In that perspective, two novel series of structurally related chromophores have been designed and studied: a first series based on rod-like quadrupolar chromophores bearing different electron-donating (D) end groups and a second series based on three-branched octupolar chromophores built from a trigonal donating moiety and bearing various acceptor (A) peripheral groups. The influence of the electronic dissymmetry is investigated by combined experimental and theoretical studies of the linear and nonlinear optical properties of dissymmetric chromophores compared to their symmetrical counterparts. In both types of systems (i.e. quadrupoles and octupoles) experiments and theory reveal that excitation is essentially delocalized and that excitation involves synchronized charge redistribution between the different D and A moieties within the multipolar structure (i.e. concerted intramolecular charge transfer). In contrast, the emission stems only from a particular dipolar subunit bearing the strongest D or A moieties due to fast excitation localization after excitation prior to emission. Hence control of emission characteristics (polarization and emission spectrum) in addition to localization can be achieved by controlled introduction of electronic dissymmetry (i.e. replacement of one of the D or A end-groups by a slightly stronger D{prime} or A{prime} units). Interestingly dissymmetrical functionalization of both quadrupolar and octupolar compounds does not lead to significant loss in TPA responses and can even be beneficial due to the spectral broadening and peak position tuning that it allows. This study thus reveals an original molecular engineering route strategy allowing major TPA enhancement in multipolar structures due to concerted

  5. Red-light absorption and fluorescence of phytochrome chromophores: A comparative theoretical study

    Energy Technology Data Exchange (ETDEWEB)

    Falklöf, Olle; Durbeej, Bo, E-mail: bodur@ifm.liu.se

    2013-11-08

    Highlights: • Calculation of red-light absorption and emission of phytochrome chromophores. • Comparison of TD-DFT and ab initio methods. • Pure functionals show better accuracy than hybrid functionals. - Abstract: Currently, much experimental effort is being invested in the engineering of phytochromes, a large superfamily of photoreceptor proteins, into fluorescent proteins suitable for bioimaging in the near-infrared regime. In this work, we gain insight into the potential of computational methods to contribute to this development by investigating how well representative quantum chemical methods reproduce recently recorded red-light absorption and emission maxima of synthetic derivatives of the bilin chromophores of phytochromes. Focusing on the performance of time-dependent density functional theory but using also the ab initio CIS(D), CC2 and CASPT2 methods, we explore how various methodological considerations influence computed spectra and find, somewhat surprisingly, that density functionals lacking exact exchange reproduce the experimental measurements with smaller errors than functionals that include exact exchange. Thus, for the important class of chromophores that bilins constitute, the widely established trend that hybrid functionals give more accurate excitation energies than pure functionals does not apply.

  6. Synthesis of chromophores with porphyrin core and triphenylamine branching effect on the properties of linear/two-photon absorption

    Science.gov (United States)

    Fan, Congbin; Wang, Xiaomei; Wang, Xiaohong; Luo, Jianfang

    2012-02-01

    The synthesis of a serial new triphenylamine-multibranching chromophores with porphyrins "core" were reported and UV-vis absorption, one/two-photon fluorescence and two-photon absorption (TPA) cross-section were investigated. The triphenylamine-branching effect on their properties, including the different branches numbers and different generational multibranches were investigated in detail. The results show the different branches numbers and the different generational multibranches had a remarkable effect on the absorption and one/two-photon fluorescence properties of these chromophores. The two-photon absorption cross-section value ( σ s) of the higher generational multibranched triphenylamine chromophore TPP-(G2X) 3 is 1058.25 GM, which is three times bigger than the others. Comparatively, the higher generational multibranched triphenylamine effect shows more significant contribution to two-photon absorption enhancement and obviously improves two-photon absorption cross-section behavior. This is greatly valuable for designing and synthesizing novel TPA materials.

  7. Theoretical Investigation on the One- and Two-photon Absorption Properties of Porphyrin-thiophene Chromophores

    Institute of Scientific and Technical Information of China (English)

    LI, Wenchao; FENG, Jikang; REN, Aimin; ZHANG, Xiangbiao; SUN, Chiachung

    2009-01-01

    Two series of porphydn-thiophene chromophores were theoretically studied that exhibit large two-photon ab- sorption cross-section in the visible region. The density functional theory (DFT) associated with ZINDO/SDCI methods has been used to calculate the molecular geometries, electronic structures, one-photon and two-photon ab- sorption properties. The results show that the number of thiophene units affects the properties of one-photon ab- sorption (OPA) and two-photon absorption (TPA). Porphyrin-thiophene chromophores featuring two or three thio- phene units have wide TPA response ranges; they can be applied to many nonlinear optical areas, such as optical limiting. Intervening ethynyl unit is beneficial to extend the conjugated pathway, and increase the two-photon ab- sorption cross-section. At the same time, the OPA and TPA wavelengths are bathochromically shifted. From view- point of the high transparency and large nonlinear optical response, porphyrin-thiophene chromophores will be promising TPA materials.

  8. Vibronic contributions to resonant NLO responses two-photon absorption in push-pull chromophores

    CERN Document Server

    Painelli, A; Terenziani, F; Painelli, Anna; Freo, Luca Del; Terenziani, Francesca

    2001-01-01

    Two-photon absorption (TPA) spectra of push-pull chromophores are described in terms of a two-state model accounting for electron-vibration coupling. Vibrations have two main effects in TPA spectra. The most obvious one is the appearance of a vibrational structure in the spectrum; in this respect we find large Herzberg-Teller contributions. The second effect was not recognized so far: vibrational states contribute a new channel to TPA process, that shows up with a blue-shift and a distortion of the spectrum. Vibrational-channel contributions to other NLO responses are shortly discussed.

  9. Symmetry Breaking in Platinum Acetylide Chromophores Studied by Femtosecond Two-Photon Absorption Spectroscopy.

    Science.gov (United States)

    Rebane, Aleksander; Drobizhev, Mikhail; Makarov, Nikolay S; Wicks, Geoffrey; Wnuk, Pawel; Stepanenko, Yuriy; Haley, Joy E; Krein, Douglas M; Fore, Jennifer L; Burke, Aaron R; Slagle, Jonathan E; McLean, Daniel G; Cooper, Thomas M

    2014-05-15

    We study instantaneous two-photon absorption (2PA) in a series of nominally quasi-centrosymmetric trans-bis(tributylphosphine)-bis-(4-((9,9-diethyl-7-ethynyl-9H-fluoren-2-yl) ethynyl)-R)-platinum complexes, where 11 different substituents, R = N(phenyl)2(NPh2), NH2, OCH3, t-butyl, CH3, H, F, CF3, CN, benzothiazole, and NO2, represent a range of electron-donating (ED) and electron-withdrawing (EW) strengths, while the Pt core acts as a weak ED group. We measure the 2PA cross section in the 540-810 nm excitation wavelength range by complementary femtosecond two-photon excited fluorescence (2PEF) and nonlinear transmission (NLT) methods and compare the obtained values to those of the Pt-core chromophore and the corresponding noncentrosymmetric side group (ligand) chromophores. Peak 2PA cross sections of neutral and ED-substituted Pt complexes occur at S0 → Sn transitions to higher energy states, above the lowest-energy S0 → S1 transition, and the corresponding values increase systematically with increasing ED strength, reaching maximum value, σ2 ∼ 300 GM (1 GM = 10(-50) cm(4) s), for R = NPh2. At transition energies overlapping with the lowest-energy S0 → S1 transition in the one-photon absorption (1PA) spectrum, the same neutral and ED-substituted Pt complexes show weak 2PA, σ2 NO2, while in the S0 → Sn transition region the peak 2PEF cross section decreases. We explained this effect by breaking of inversion symmetry due to conformational distortions associated with low energy barrier for ground-state rotation of the ligands. Our findings are corroborated by theoretical calculations that show large increase of the permanent electric dipole moment change in the S0 → S1 transition when ligands with strong EW substituents are twisted by 90° relative to the planar chromophore. Our NLT results in the S0 → S1 transition region are quantitatively similar to those obtained from the 2PEF measurement. However, at higher transition energy corresponding to S0

  10. Absorption features of chromophoric dissolved organic matter (CDOM and tracing implication for dissolved organic carbon (DOC in Changjiang Estuary, China

    Directory of Open Access Journals (Sweden)

    X. Y. Zhang

    2013-07-01

    Full Text Available Chromophoric dissolved organic matter (CDOM represents the light absorbing fraction of dissolved organic carbon (DOC. Studies have shown that the optical properties of CDOM can be used to infer the distribution and diffusion characteristics of DOC in the estuary and coastal zone. The inversion of DOC concentrations from remote sensing has been implemented in certain regions. In this study we investigate the potential of tracing DOC from CDOM by the measurement of DOC, absorption spectrum of CDOM, Chla concentration, suspended sediment (SS, and salinity from cruises in different seasons around the Changjiang estuary. Our results show that around the Changjiang estuary the absorption coefficients of CDOM in general have the similar spatial and temporal characteristics as that of DOC, but the strength of the correlation between CDOM and DOC varies locally and seasonally. The input of pollutants from outside the estuary, the bloom of phytoplankton in spring, re-suspension of deposited sediment, and light bleaching all contribute to the local and seasonal variation of the correlation between DOC and CDOM. An inversion model for the determination of DOC from CDOM is established, but the stability of model parameters and its application in different environments need further study. We find that relative to the absorption coefficient of CDOM, the fitted parameters of the absorption spectrum of DOM are better indictors for the composition of DOC. In addition, it is found that the terrestrial input of DOC to Changjiang estuary is a typical two-stage dilution process instead of a linear diffusion process.

  11. Photophysics and Nonlinear Absorption of Gold(I) and Platinum(II) Donor-Acceptor-Donor Chromophores.

    Science.gov (United States)

    Goswami, Subhadip; Winkel, Russell W; Schanze, Kirk S

    2015-10-19

    A series of Au(I) and Pt(II) acetylide complexes of a π-conjugated donor-acceptor-donor (D-A-D) chromophore were studied to develop quantitative structure-property relationships for their photophysical and nonlinear optical properties. The D-A-D chromophore consists of a "TBT" unit, where T = 3-hexyl-2,5-thienylene and BTD = 2,1,3-benzothiadiazole, capped with ethynylene groups. The D-A-D chromophore is functionalized with Au(I)PR3 (R = -Me and -Ph) and trans-Pt(II)(PR3)2-CCPh (R = -Me and -Bu) "auxochromes". All of the metal complexes were characterized by ground-state absorption, photoluminescence, nanosecond transient absorption, and two-photon absorption (2PA) spectroscopy. The experiments provided quantitative values of the photophysical parameters, including rates for radiative decay and intersystem crossing (ISC), triplet yields, and two-photon absorption cross sections. Pronounced solvatochromism in the fluorescence spectra suggests an enhanced dipole moment in the excited state of the complexes compared to the unmetalated TBT chromophore. The gold complexes feature larger fluorescence quantum yields and longer emission lifetimes compared to platinum. The Pt(II) complexes exhibit enhanced triplet-triplet absorption, reduced triplet-state lifetimes, and larger singlet oxygen quantum yields, consistent with more efficient ISC compared to the Au(I) complexes. When excited by 100 fs pulses, all of the D-A-D chromophores exhibit moderate two-photon absorption in the near-infrared between 700 and 900 nm. The 2PA cross section for the Au(I) complexes is almost the same as the unmetalated D-A-D chromophore (∼100 GM). The Pt(II) complexes exhibit significantly enhanced 2PA compared to the other chromophores, reaching 1000 GM at 750 nm. Taken together, the results indicate that the Pt(II) center is considerably more effective in inducing singlet-triplet ISC and in enhancing the 2PA cross section. This result reveals the greater promise for Pt(II) acetylides in

  12. The effect of chromophores concentration on the nonlinear optical activity of methacrylic copolymers with azochromophores in the side chain

    International Nuclear Information System (INIS)

    Quadratic nonlinear-optical characteristics of thin films based on methacrylic copolymers with of chromophore-containing monomers incorporated at various concentrations are measured by Second Harmonic Generation technique. Optimal chromophores content is obtained to be about 17 mol%, rather high values of nonlinear-optical coefficient, d33, up to 60 pm/V, are determined

  13. Effects of chromophore concentration and film thickness on thermo-optic properties of electro-optic fluorinated polyimide films

    Institute of Scientific and Technical Information of China (English)

    Hongxiang Song; Chengxun Wu

    2007-01-01

    Electro-optic (EO) effect and thermo-optic (TO) effect are jointly considered on the basis of field-induced and temperature-affected perturbations of the operating point in waveguide components. TO coefficients of EO fluorinated polyimide films with side-chain azobenzene chromophore were measured by attenuatedtotal-reflection (ATR) technique at different temperatures with TE- and TM-polarized lights, respectively.It is found that the absolute values of TO coefficients increase with the increments of both chromophore concentration and film thickness, but the polarization dependence of TO coefficients increases with the increment of chromophore concentration and decreases with the increment of film thickness.

  14. Simultaneous recovery of chromophore concentrations and ultrasound velocity by spectrally resolved photoacoustic tomography

    Science.gov (United States)

    Yuan, Zhen; Zhang, Qizhi; Grobmyer, Stephen; Jiang, Huabei

    2009-02-01

    We describe a new spectral approach for inversion of photoacoustic data with multi-wavelength pulsed laser illumination. Multi-spectral PAT provides a means of recovery of different chromophore concentrations and ultrasound velocity simultaneously and directly by incorporating prior spectral information into the image reconstruction process. It is demonstrated from simulation tests and small animal experiments that the multi-parameter recovery based on multispectral PAT is reliable and accurate. The reconstructed multiple parameter images may provide us a key tool to quantify physiological function, disease progression, or response to intervention.

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

    Science.gov (United States)

    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

  16. Linking CDOM spectral absorption to dissolved organic carbon concentrations and loadings in boreal estuaries

    DEFF Research Database (Denmark)

    Asmala, Eero; Stedmon, Colin A.; Thomas, David N.

    2012-01-01

    The quantity of chromophoric dissolved organic matter (CDOM) and dissolved organic carbon (DOC) in three Finnish estuaries (Karjaanjoki, Kyrönjoki and Kiiminkijoki) was investigated, with respect to predicting DOC concentrations and loadings from spectral CDOM absorption measurements. Altogether 87...

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

    Science.gov (United States)

    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.

  18. Absorption features of chromophoric dissolved organic matter (CDOM) and tracing implication for dissolved organic carbon (DOC) in Changjiang Estuary, China

    OpenAIRE

    X. Y. Zhang; Chen, X.; Deng, H.; Du, Y; Jin, H. Y.

    2013-01-01

    Chromophoric dissolved organic matter (CDOM) represents the light absorbing fraction of dissolved organic carbon (DOC). Studies have shown that the optical properties of CDOM can be used to infer the distribution and diffusion characteristics of DOC in the estuary and coastal zone. The inversion of DOC concentrations from remote sensing has been implemented in certain regions. In this study we investigate the potential of tracing DOC from CDOM by the measure...

  19. Evolution of linear absorption and nonlinear optical properties in V-shaped ruthenium(II)-based chromophores.

    Science.gov (United States)

    Coe, Benjamin J; Foxon, Simon P; Harper, Elizabeth C; Helliwell, Madeleine; Raftery, James; Swanson, Catherine A; Brunschwig, Bruce S; Clays, Koen; Franz, Edith; Garín, Javier; Orduna, Jesús; Horton, Peter N; Hursthouse, Michael B

    2010-02-10

    In this article, we describe a series of complexes with electron-rich cis-{Ru(II)(NH(3))(4)}(2+) centers coordinated to two pyridyl ligands bearing N-methyl/arylpyridinium electron-acceptor groups. These V-shaped dipolar species are new, extended members of a class of chromophores first reported by us (Coe, B. J. et al. J. Am. Chem. Soc. 2005, 127, 4845-4859). They have been isolated as their PF(6)(-) salts and characterized by using various techniques including (1)H NMR and electronic absorption spectroscopies and cyclic voltammetry. Reversible Ru(III/II) waves show that the new complexes are potentially redox-switchable chromophores. Single crystal X-ray structures have been obtained for four complex salts; three of these crystallize noncentrosymmetrically, but with the individual molecular dipoles aligned largely antiparallel. Very large molecular first hyperpolarizabilities beta have been determined by using hyper-Rayleigh scattering (HRS) with an 800 nm laser and also via Stark (electroabsorption) spectroscopic studies on the intense, visible d --> pi* metal-to-ligand charge-transfer (MLCT) and pi --> pi* intraligand charge-transfer (ILCT) bands. The latter measurements afford total nonresonant beta(0) responses as high as ca. 600 x 10(-30) esu. These pseudo-C(2v) chromophores show two substantial components of the beta tensor, beta(zzz) and beta(zyy), although the relative significance of these varies with the physical method applied. According to HRS, beta(zzz) dominates in all cases, whereas the Stark analyses indicate that beta(zyy) is dominant in the shorter chromophores, but beta(zzz) and beta(zyy) are similar for the extended species. In contrast, finite field calculations predict that beta(zyy) is always the major component. Time-dependent density functional theory calculations predict increasing ILCT character for the nominally MLCT transitions and accompanying blue-shifts of the visible absorptions, as the ligand pi-systems are extended. Such unusual

  20. 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

    Energy Technology Data Exchange (ETDEWEB)

    Debreczeny, M.P.; Sauer, K. (Lawrence Berkeley Lab., CA (United States) Univ. of California, Berkeley, CA (United States)); Zhou, J.; Bryant, D.A. (Pennsylvania State Univ., University Park, PA (United States))

    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.

  1. Synthesis, nonlinear optical properties and the possible mechanism of photopolymerization of two new two-photon absorption chromophores

    International Nuclear Information System (INIS)

    Efficient Witting and Pd-catalyzed Heck coupling methodologies are employed to synthesize two new two-photon free-radical photopolymerization initiators 9-ethyl-3-{2-[4-(2-pyridin-4-yl-vinyl)-phenyl]-vinyl}-9H-carbazole (abbreviated to EPVPC) and 9-octadecyl-3-{2-[4-(2-pyridin-4-yl-vinyl)-phenyl]-vinyl}-9H-carbazole (abbreviated to OPVPC). The experimental results confirm that the two compounds are good two-photon absorbing chromophores and operative two-photon photopolymerization initiators. The calculated two-photon absorption cross-sections of EPVPC and OPVPC are 56.6 and 62.0x10-50 cm4 s photon-1, respectively. A microstructure by using EPVPC as initiator has been fabricated under irradiation of 200 fs, 76 MHz Ti:sapphire femtosecond laser at 780 nm. The possible mechanism of photopolymerization is discussed

  2. Synthesis, nonlinear optical properties and the possible mechanism of photopolymerization of two new two-photon absorption chromophores

    Science.gov (United States)

    Yan, Yunxing; Tao, Xutang; Sun, Yuanhong; Xu, Guibao; Wang, Chuankui; Yang, Jiaxiang; Zhao, Xian; Jiang, Minhua

    2004-09-01

    Efficient Witting and Pd-catalyzed Heck coupling methodologies are employed to synthesize two new two-photon free-radical photopolymerization initiators 9-ethyl-3-{2-[4-(2-pyridin-4-yl-vinyl)-phenyl]-vinyl}-9H-carbazole (abbreviated to EPVPC) and 9-octadecyl-3-{2-[4-(2-pyridin-4-yl-vinyl)-phenyl]-vinyl}-9H-carbazole (abbreviated to OPVPC). The experimental results confirm that the two compounds are good two-photon absorbing chromophores and operative two-photon photopolymerization initiators. The calculated two-photon absorption cross-sections of EPVPC and OPVPC are 56.6 and 62.0×10 -50 cm 4 s photon -1, respectively. A microstructure by using EPVPC as initiator has been fabricated under irradiation of 200 fs, 76 MHz Ti:sapphire femtosecond laser at 780 nm. The possible mechanism of photopolymerization is discussed.

  3. Absorption by DNA single strands of adenine isolated in vacuo: The role of multiple chromophores

    DEFF Research Database (Denmark)

    Nielsen, L.M.; Pedersen, S.O.; Kirketerp, M.-B.S.;

    2012-01-01

    The degree of electronic coupling between DNA bases is a topic being up for much debate. Here we report on the intrinsic electronic properties of isolated DNA strands in vacuo free of solvent, which is a good starting point for high-level excited states calculations. Action spectra of DNA single...... strands of adenine reveal sign of exciton coupling between stacked bases from blueshifted absorption bands (~3 nm) relative to that of the dAMP mononucleotide (one adenine base). The bands are blueshifted by about 10 nm compared to those of solvated strands, which is a shift similar to that for the...

  4. Molecular engineering of nanoscale quadrupolar chromophores for two-photon absorption

    Science.gov (United States)

    Porres, Laurent; Mongin, Olivier; Blanchard-Desce, Mireille H.; Ventelon, Lionel; Barzoukas, Marguerite; Moreaux, Laurent; Pons, Thomas; Mertz, Jerome

    2003-02-01

    Our aim has been the design of optimized NLO-phores with very high two-photon absorption (TPA) cross-sections (s2) in the red-NIR region, while maintaining high linear transparency and high fluorescence quantum yield. Our molecular engineering strategy is based on the push-push or pull-pull functionalization of semi-rigid nanoscale conjugated systems. The central building blocks were selected as rigid units that may assist quadrupolar intramolecular charge transfer by acting either as a (weak) donor or acceptor core. Quadrupolar molecules derived either from a phenyl unit, a rigidified biphenyl moiety or a fused bithiophene unit have been considered. Conjugated oligomers made of phenylene-vinylene and/or phenylene-ethynylene units were selected as connecting spacers between the core and the electroactive end groups to ensure effective electronic conjugation while maintaining suitable transparency/fluorescence. The TPA cross-sections were determined by investigating the two-photon-excited fluorescence properties using a Ti:sapphire laser delivering fs pulses. Both the nature of the end groups and of the core moiety play an important role in determining the TPA spectra. In addition, by adjusting the length and nature of the conjugated extensor, both amplification and spectral tuning of TPA cross-sections can be achieved. As a result, push-push fluorophores which demonstrate giant TPA cross-sections (up to 3000 GM) in the visible red, high fluorescence quantum yields and good transparency in the visible range have been obtained.

  5. Quantitative spatially resolved measurement of tissue chromophore concentrations using photoacoustic spectroscopy: application to the measurement of blood oxygenation and haemoglobin concentration

    International Nuclear Information System (INIS)

    A new approach based on pulsed photoacoustic spectroscopy for non-invasively quantifying tissue chromophore concentrations with high spatial resolution has been developed. The technique is applicable to the quantification of tissue chromophores such as oxyhaemoglobin (HbO2) and deoxyhaemoglobin (HHb) for the measurement of physiological parameters such as blood oxygen saturation (SO2) and total haemoglobin concentration. It can also be used to quantify the local accumulation of targeted contrast agents used in photoacoustic molecular imaging. The technique employs a model-based inversion scheme to recover the chromophore concentrations from photoacoustic measurements. This comprises a numerical forward model of the detected time-dependent photoacoustic signal that incorporates a multiwavelength diffusion-based finite element light propagation model to describe the light transport and a time-domain acoustic model to describe the generation, propagation and detection of the photoacoustic wave. The forward model is then inverted by iteratively fitting it to measurements of photoacoustic signals acquired at different wavelengths to recover the chromophore concentrations. To validate this approach, photoacoustic signals were generated in a tissue phantom using nanosecond laser pulses between 740 nm and 1040 nm. The tissue phantom comprised a suspension of intralipid, blood and a near-infrared dye in which three tubes were immersed. Blood at physiological haemoglobin concentrations and oxygen saturation levels ranging from 2% to 100% was circulated through the tubes. The signal amplitude from different temporal sections of the detected photoacoustic waveforms was plotted as a function of wavelength and the forward model fitted to these data to recover the concentrations of HbO2 and HHb, total haemoglobin concentration and SO2. The performance was found to compare favourably to that of a laboratory CO-oximeter with measurement resolutions of ±3.8 g l-1 (±58 μM) and ±4

  6. Quantitative spatially resolved measurement of tissue chromophore concentrations using photoacoustic spectroscopy: application to the measurement of blood oxygenation and haemoglobin concentration

    Energy Technology Data Exchange (ETDEWEB)

    Laufer, Jan; Delpy, Dave; Elwell, Clare; Beard, Paul [Department of Medical Physics and Bioengineering, University College London, Malet Place Engineering Building, London WC1E 6BT (United Kingdom)

    2007-01-07

    A new approach based on pulsed photoacoustic spectroscopy for non-invasively quantifying tissue chromophore concentrations with high spatial resolution has been developed. The technique is applicable to the quantification of tissue chromophores such as oxyhaemoglobin (HbO{sub 2}) and deoxyhaemoglobin (HHb) for the measurement of physiological parameters such as blood oxygen saturation (SO{sub 2}) and total haemoglobin concentration. It can also be used to quantify the local accumulation of targeted contrast agents used in photoacoustic molecular imaging. The technique employs a model-based inversion scheme to recover the chromophore concentrations from photoacoustic measurements. This comprises a numerical forward model of the detected time-dependent photoacoustic signal that incorporates a multiwavelength diffusion-based finite element light propagation model to describe the light transport and a time-domain acoustic model to describe the generation, propagation and detection of the photoacoustic wave. The forward model is then inverted by iteratively fitting it to measurements of photoacoustic signals acquired at different wavelengths to recover the chromophore concentrations. To validate this approach, photoacoustic signals were generated in a tissue phantom using nanosecond laser pulses between 740 nm and 1040 nm. The tissue phantom comprised a suspension of intralipid, blood and a near-infrared dye in which three tubes were immersed. Blood at physiological haemoglobin concentrations and oxygen saturation levels ranging from 2% to 100% was circulated through the tubes. The signal amplitude from different temporal sections of the detected photoacoustic waveforms was plotted as a function of wavelength and the forward model fitted to these data to recover the concentrations of HbO{sub 2} and HHb, total haemoglobin concentration and SO{sub 2}. The performance was found to compare favourably to that of a laboratory CO-oximeter with measurement resolutions of {+-}3

  7. Excited-state characterization and effective three-photon absorption model of two-photon-induced excited-state absorption in organic push-pull charge-transfer chromophores

    International Nuclear Information System (INIS)

    We report experimental investigations of two-photon and excited-state absorption in D-π-A chromophores and propose a model to explain nonlinear absorption in the nanosecond regime. The key parameter is an effective three-photon absorption coefficient that depends on the two-photon absorption cross section and excited-state photophysical properties. We obtain all these parameters from independent measurements and then compare the model with nanosecond nonlinear transmission measurements. We find good agreement with the data, using no free parameters, for specific values of some published two-photon absorption cross sections. We conclude that excited singlet-singlet and triplet-triplet absorption are the dominant sources of nonlinear transmittance loss and that the chief role of two-photon absorption is to populate these states

  8. Towards a wearable near infrared spectroscopic probe for monitoring concentrations of multiple chromophores in biological tissue in vivo

    Science.gov (United States)

    Chitnis, Danial; Airantzis, Dimitrios; Highton, David; Williams, Rhys; Phan, Phong; Giagka, Vasiliki; Powell, Samuel; Cooper, Robert J.; Tachtsidis, Ilias; Smith, Martin; Elwell, Clare E.; Hebden, Jeremy C.; Everdell, Nicholas

    2016-06-01

    The first wearable multi-wavelength technology for functional near-infrared spectroscopy has been developed, based on a custom-built 8-wavelength light emitting diode (LED) source. A lightweight fibreless probe is designed to monitor changes in the concentrations of multiple absorbers (chromophores) in biological tissue, the most dominant of which at near-infrared wavelengths are oxyhemoglobin and deoxyhemoglobin. The use of multiple wavelengths enables signals due to the less dominant chromophores to be more easily distinguished from those due to hemoglobin and thus provides more complete and accurate information about tissue oxygenation, hemodynamics, and metabolism. The spectroscopic probe employs four photodiode detectors coupled to a four-channel charge-to-digital converter which includes a charge integration amplifier and an analogue-to-digital converter (ADC). Use of two parallel charge integrators per detector enables one to accumulate charge while the other is being read out by the ADC, thus facilitating continuous operation without dead time. The detector system has a dynamic range of about 80 dB. The customized source consists of eight LED dies attached to a 2 mm × 2 mm substrate and encapsulated in UV-cured epoxy resin. Switching between dies is performed every 20 ms, synchronized to the detector integration period to within 100 ns. The spectroscopic probe has been designed to be fully compatible with simultaneous electroencephalography measurements. Results are presented from measurements on a phantom and a functional brain activation study on an adult volunteer, and the performance of the spectroscopic probe is shown to be very similar to that of a benchtop broadband spectroscopy system. The multi-wavelength capabilities and portability of this spectroscopic probe will create significant opportunities for in vivo studies in a range of clinical and life science applications.

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

    Science.gov (United States)

    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).

  10. Evaluation of light scattering properties and chromophore concentrations in skin tissue based on diffuse reflectance signals at isosbestic wavelengths of hemoglobin

    Science.gov (United States)

    Yokokawa, Takumi; Nishidate, Izumi

    2016-04-01

    We investigate a method to evaluate light-scattering properties and chromophore concentrations in human skin tissue through diffuse reflectance spectroscopy using the reflectance signals acquired at isosbestic wavelengths of hemoglobin (420, 450, 500, and 585 nm). In the proposed method, Monte Carlo simulation-based empirical formulas are used to specify the scattering parameters of skin tissue, such as the scattering amplitude a and the scattering power b, as well as the concentration of melanin C m and the total blood concentration C tb. The use of isosbestic wavelengths of hemoglobin enables the values of C m, C tb, a, and b to be estimated independently of the oxygenation of hemoglobin. The spectrum of the reduced scattering coefficient is reconstructed from the scattering parameters. Experiments using in vivo human skin tissues were performed to confirm the feasibility of the proposed method for evaluating the changes in scattering properties and chromophore concentrations in skin tissue. The experimental results revealed that light scattering is significantly reduced by the application of a glycerol solution, which indicates an optical clearing effect due to osmotic dehydration and the matching of the refractive indices of scatterers in the epidermis.

  11. Fluorescence and absorption properties of chromophoric dissolved organic matter (CDOM in coastal surface waters of the northwestern Mediterranean Sea, influence of the Rhône River

    Directory of Open Access Journals (Sweden)

    J. Para

    2010-12-01

    Full Text Available Seawater samples were collected monthly in surface waters (2 and 5 m depths of the Bay of Marseilles (northwestern Mediterranean Sea; 5°17'30" E, 43°14'30" N during one year from November 2007 to December 2008 and studied for total organic carbon (TOC as well as chromophoric dissolved organic matter (CDOM optical properties (absorbance and fluorescence. The annual mean value of surface CDOM absorption coefficient at 350 nm [aCDOM(350] was very low (0.10 ± 0.02 m−1 in comparison to values usually found in coastal waters, and no significant seasonal trend in aCDOM(350 could be determined. By contrast, the spectral slope of CDOM absorption (SCDOM was significantly higher (0.023 ± 0.003 nm−1 in summer than in fall and winter periods (0.017 ± 0.002 nm−1, reflecting either CDOM photobleaching or production in surface waters during stratified sunny periods. The CDOM fluorescence, assessed through excitation emission matrices (EEMs, was dominated by protein-like component (peak T; 1.30–21.94 QSU and marine humic-like component (peak M; 0.55–5.82 QSU, while terrestrial humic-like fluorescence (peak C; 0.34–2.99 QSU remained very low. This reflected a dominance of relatively fresh material from biological origin within the CDOM fluorescent pool. At the end of summer, surface CDOM fluorescence was very low and strongly blue shifted, reinforcing the hypothesis of CDOM photobleaching. Our results suggested that unusual Rhône River plume eastward intrusion events might reach Marseilles Bay within 2–3 days and induce local phytoplankton blooms and subsequent fluorescent CDOM production (peaks M and T without adding terrestrial fluorescence signatures (peaks C and A. Besides Rhône River plumes, mixing events of the entire water column injected relative aged (peaks C and M CDOM from the bottom into the surface and thus appeared also as an important source

  12. Limitations and design considerations for donor–acceptor systems in luminescent solar concentrators: the effect of coupling-induced red-edge absorption

    Science.gov (United States)

    MacQueen, Rowan W.; Tayebjee, Murad J. Y.; Webb, James E. A.; Falber, Alexander; Thordarson, Pall; Schmidt, Timothy W.

    2016-06-01

    Luminescent solar concentrators (LSCs) use luminescence and waveguiding to concentrate photons within thin dielectric slabs for use in photovoltaic, lighting, and photobioreactor applications. Donor–acceptor systems of organic chromophores are widely used in LSCs to broaden the sunlight absorption range and attempt to reduce loss-inducing reabsorption by the emitting chromophore. We use raytrace simulations across a large parameter space to model the performance of LSCs containing two novel donor–acceptor trimers based on the perylene moiety. We find that under certain conditions, trimers outperform single-dye LSCs as expected. However, at higher concentrations, a slight increase in red-edge absorption by the trimers increases reabsorption and has a deleterious effect on LSC performance. This underscores the large effect that even small changes in the red edge can have, and may discourage the use of donor–acceptor schemes with high interchromophore coupling that promotes red-edge absorption. Finally, we show that for a LSC-PV pair, selecting a PV cell that is well-matched with the LSC emission spectrum has a large effect on the flux gain of the system, and that the systems studied here are well-matched to emerging PV technologies.

  13. Determination of molybdenum in flotation concentrates by atomic absorption spectrophotometry

    International Nuclear Information System (INIS)

    Molybdenum was determined by atomic absorption spectrophotometry in 0.05 N ammoniacal solution after the decomposition of the concentrate with aqua regia. Negros ore from Philippines was used as a flotation feed, which contained chalcopyrites and calcium-magnesium minerals. Among the metals tested copper, iron and the alkaline earths interfered. Less than 50 ppm of copper yielded lower results for molybdenum. Higher results came out with more than 50 ppm of copper. In the presence of iron and citric acid (0.4 g/100 ml) which is a suppressor for hydroxide formation, a lower estimation resulted for molybdenum. Calcium interfered, lower results by 2 and >10% being obtained with respective 2.5 and 20 ppm of calcium. More than 20 ppm of magnesium behaved similarly. Sodium sulfate (0.5 g/100 ml) served as the suppressor for copper, iron and citric acid; 100 ppm each of copper and iron did not interfere in this way. Interferences due to calcium and magnesium (less than 60 ppm) was able to be masked by the addition of sodium silicate (200 ppm as silica). The analysis of flotation products and synthetic samples consisting of molybdenite, chalcopyrite, calcium chloride and magnesium sulfate revealed that the atomic absorption method can be applied to the analysis of the concentrates for molybdenum with an error of about 2%. (auth.)

  14. Non-linear absorption for concentrated solar energy transport

    Energy Technology Data Exchange (ETDEWEB)

    Jaramillo, O. A; Del Rio, J.A; Huelsz, G [Centro de Investigacion de Energia, UNAM, Temixco, Morelos (Mexico)

    2000-07-01

    In order to determine the maximum solar energy that can be transported using SiO{sub 2} optical fibers, analysis of non-linear absorption is required. In this work, we model the interaction between solar radiation and the SiO{sub 2} optical fiber core to determine the dependence of the absorption of the radioactive intensity. Using Maxwell's equations we obtain the relation between the refractive index and the electric susceptibility up to second order in terms of the electric field intensity. This is not enough to obtain an explicit expression for the non-linear absorption. Thus, to obtain the non-linear optical response, we develop a microscopic model of an harmonic driven oscillators with damp ing, based on the Drude-Lorentz theory. We solve this model using experimental information for the SiO{sub 2} optical fiber, and we determine the frequency-dependence of the non-linear absorption and the non-linear extinction of SiO{sub 2} optical fibers. Our results estimate that the average value over the solar spectrum for the non-linear extinction coefficient for SiO{sub 2} is k{sub 2}=10{sup -}29m{sup 2}V{sup -}2. With this result we conclude that the non-linear part of the absorption coefficient of SiO{sub 2} optical fibers during the transport of concentrated solar energy achieved by a circular concentrator is negligible, and therefore the use of optical fibers for solar applications is an actual option. [Spanish] Con el objeto de determinar la maxima energia solar que puede transportarse usando fibras opticas de SiO{sub 2} se requiere el analisis de absorcion no linear. En este trabajo modelamos la interaccion entre la radiacion solar y el nucleo de la fibra optica de SiO{sub 2} para determinar la dependencia de la absorcion de la intensidad radioactiva. Mediante el uso de las ecuaciones de Maxwell obtenemos la relacion entre el indice de refraccion y la susceptibilidad electrica hasta el segundo orden en terminos de intensidad del campo electrico. Esto no es

  15. Absorption of Low Concentration Sulfur Dioxide Using Liquid-containing Microporous Membrane

    Institute of Scientific and Technical Information of China (English)

    薛娟琴; 兰新哲; 孟令嫒; 李伟达

    2007-01-01

    The absorption of low concentration SO2 in flue gas by using the module of liquid-containing microporous membrane which iS made up of hollow fiber and citric acid-sodium citrate buffer solution was investigated.The absorption efficiency of hydrophilic and hydrophobic membranes by using the concept of dynamic contact angle was mainly studied.The infuences on absorption efficiency from absorption time,flowrate of gas phase,SO2 concentration of gas phase,air pressure,citrate concentration,pH value of solution as well as the generation of sulfate radical in absorption solution were examined.The results indicate that the hydrophobic hollow fiber membrane is better than hydrophilic membrane,the absorption efficiency decreases with increasing absorption time,gas phase flowrate,gas phase SO2 concentration and air pressure,the absorption rate and capacity of SO2 can be improved by increasing the citrate concentration,the absorption efficiency can be improved by increasing the pH value of citrate solution,the concentration of SO4z- in absorption solution increases linearly with the absorption time at a rate around 0.192g/(L·h).

  16. Optimization of parameters of single-beam gamma absorption concentration meter within definite measuring range

    International Nuclear Information System (INIS)

    Problems of two-parametric optimization of single-beam gamma absorption concentration meters in the assigned measurement range are considered. It is shown that maximum absolute and relative statistical measurement errors are observed at the measurement range boundaries under any values of variable parameters. Optimization of single-beam gamma absorption concentration meter parameters for a number of binary solutions is performed

  17. Chemometric analysis of frequency-domain photon migration data: quantitative measurements of optical properties and chromophore concentrations in multicomponent turbid media

    International Nuclear Information System (INIS)

    Frequency-domain photon migration (FDPM) is a widely used technique for measuring the optical properties (i.e., absorption, μa, and reduced scattering, μs', coefficients) of turbid samples. Typically, FDPM data analysis is performed with models based on a photon diffusion equation; however, analytical solutions are difficult to obtain for many realistic geometries. Here, we describe the use of models based instead on representative samples and multivariate calibration (chemometrics). FDPM data at seven wavelengths (ranging from 674 to 956 nm) and multiple modulation frequencies (ranging from 50 to 600 MHz) were gathered from turbid samples containing mixtures of three absorbing dyes. Values for μa and μs' were extracted from the FDPM data in different ways, first with the diffusion theory and then with the chemometric technique of partial least squares. Dye concentrations were determined from the FDPM data by three methods, first by least-squares fits to the diffusion results and then by two chemometric approaches. The accuracy of the chemometric predictions was comparable or superior for all three dyes. Our results indicate that chemometrics can recover optical properties and dye concentrations from the frequency-dependent behavior of photon density waves, without the need for diffusion-based models. Future applications to more complicated geometries, lower-scattering samples, and simpler FDPM instrumentation are discussed. (c) 2000 Optical Society of America

  18. The sweet life: diet sugar concentration influences paracellular glucose absorption

    OpenAIRE

    Napier, Kathryn R; Purchase, Cromwell; McWhorter, Todd J.; Nicolson, Susan W.; Fleming, Patricia A.

    2008-01-01

    Small birds and bats face strong selection pressure to digest food rapidly in order to reduce digesta mass carried during flight. One mechanism is rapid absorption of a high proportion of glucose via the paracellular pathway (transfer between epithelial cells, not mediated by transporter proteins). Intestinal paracellular permeability to glucose was assessed for two nectarivorous passerines, the Australian New Holland honeyeater (Phylidonyris novaehollandiae) and African white-bellied sunbird...

  19. Chromophore detection by fluorescence spectroscopy in tissue-like phantoms

    Science.gov (United States)

    Cerussi, Albert E.; Fantini, Sergio; Maier, John S.; Mantulin, William W.; Gratton, Enrico

    1997-08-01

    In the near-infrared spectral region (700 - 900 nm) light penetrates a few centimeters into tissues and hemoglobin dominates the absorption. Consequently, in vivo near-infrared tissue absorption spectroscopy becomes difficult for endogenous compounds of biological interest other than hemoglobin. Exogenous chromophore detection by fluorescence spectroscopy has the potential to provide enhanced sensitivity and specificity for in vivo optical tissue spectroscopy, facilitating the study of many important metabolites in tissues other than hemoglobin. We have performed measurements of the dc fluorescence intensity generated by a fluorophore (rhodamine B) homogeneously dissolved inside a highly scattering tissue-simulating phantom (aqueous suspension of titanium-dioxide particles). The phantom was prepared with optical coefficients (absorption and reduced scattering) similar to those of tissue in the near-infrared; these coefficients were measured with a frequency-domain spectrometer. Measurable dc fluorescence intensity signals from 1 nM rhodamine concentrations inside the phantom are reported. Furthermore, we were able to resolve changes in rhodamine concentration on the order of 1% using the dc fluorescence intensity. This dc fluorescence sensitivity is characterized experimentally at two concentrations (55 and 360 nM) and over a range of source-detector separations. Other aspects of the sensitivity are discussed over a large range of concentrations using a fluorescence photon migration model.

  20. Analysis of uranium concentrates by atomic-absorption spectrometry

    International Nuclear Information System (INIS)

    The determination of As, Ca, Fe, Mo and V in uranium concentrates, removing the bulk of the uranium matrix by extracting with tributyl phosphate in hexane has been tried. No interferences were found due to uranium, sodium, aluminium, sulfates and phosphates. Only for calcium a depressive effect of aluminium and uranium has been found and it is overcome by addition of lanthanum. Air-acetylene flame for Fe, Ca and As, and nitrous oxide-acetylene flame for Mo and V have been used. The considered concentration range has been 0.15 - 3% for Ca and Fe, 0.1 -2% for As and 0.1 - 1% for Mo and V. (author)

  1. Unraveling the chromophoric disorder of poly(3-hexylthiophene)

    CERN Document Server

    Thiessen, Alexander; Adachi, Takuji; Steiner, Florian; Bout, David Vanden; Lupton, John M

    2015-01-01

    The spectral breadth of conjugated polymers gives these materials a clear advantage over other molecular compounds for organic photovoltaic applications and is a key factor in recent efficiencies topping 10%. But why do excitonic transitions, which are inherently narrow, lead to absorption over such a broad range of wavelengths in the first place? Using single-molecule spectroscopy, we address this fundamental question in a model material, poly(3-hexylthiophene). Narrow zero-phonon lines from single chromophores are found to scatter over 200nm, an unprecedented inhomogeneous broadening which maps the ensemble. The giant red-shift between solution and bulk films arises from energy transfer to the lowest-energy chromophores in collapsed polymer chains which adopt a highly-ordered morphology. We propose that the extreme energetic disorder of chromophores is structural in origin. This structural disorder on the single-chromophore level may actually enable the high degree of polymer chain ordering found in bulk fi...

  2. [Research on the NO2 mean concentration measurement with target differential optical absorption spectroscopy technology].

    Science.gov (United States)

    Liu, Jin; Si, Fu-Qi; Zhou, Hai-Jin; Zhao, Min-Jie; Dou, Ke; Liu, Wen-Qing

    2013-04-01

    A new monitoring method of NO2 concentration near ground with the target difference absorption spectrum technology (Target DOAS) is introduced in the present paper. This method is based on the passive difference absorption spectrum technology. The instrument collects solar reflection spectrum of remote objectives, such as wall of building and mountain, and a specific reference spectrum is chosen to subtract the influence of trace gases from the target to atmospheric top, then integrated concentration of NO2 along the path between the target and instrument can be calculated through the differential absorption spectra inversion algorithm. Since the distance between the instrument and target is given, the mean concentration of NO2 can be derived. With developed Target DOAS instrument, NO2 concentration measurement was carried out in Hefei. And comparison was made between the target DOAS and long path difference absorption spectrometer. Good consistency was presented, proving the feasibility of this method. PMID:23841393

  3. Alternative method for concentration retrieval in differential optical absorption spectroscopy atmospheric gas pollutant measurements

    OpenAIRE

    Videla, Fabián; Schinca, Daniel Carlos; Tocho, Jorge O.

    2003-01-01

    Differential optical absorption spectroscopy is a widely used technique for open-column atmospheric-gas pollution monitoring. The concentration retrieval is based on the fitting of the measured differential absorbance through the Lambert-Beer law. We present an alternative method for calculating the gas concentration on the basis of the proportionality between differential absorbance and differential absorption cross section of the gas under study. The method can be used on its own for single...

  4. Chromophoric binaphtyl derivatives

    Czech Academy of Sciences Publication Activity Database

    Bříza, T.; Kejík, Z.; Vašek, P.; Králová, Jarmila; Martásek, P.; Císařová, I.; Král, V.

    2005-01-01

    Roč. 7, č. 17 (2005), s. 3661-3664. ISSN 1523-7060 R&D Projects: GA ČR(CZ) GA203/02/0933; GA ČR(CZ) GA309/02/1193; GA ČR GA203/02/0420; GA ČR GA301/04/1315 Institutional research plan: CEZ:AV0Z50520514 Keywords : binaphthyl derivatives * chromophore * apoptosis Subject RIV: EB - Genetics ; Molecular Biology Impact factor: 4.368, year: 2005

  5. An Inverse Modeling Approach to Estimating Phytoplankton Pigment Concentrations from Phytoplankton Absorption Spectra

    Science.gov (United States)

    Moisan, John R.; Moisan, Tiffany A. H.; Linkswiler, Matthew A.

    2011-01-01

    Phytoplankton absorption spectra and High-Performance Liquid Chromatography (HPLC) pigment observations from the Eastern U.S. and global observations from NASA's SeaBASS archive are used in a linear inverse calculation to extract pigment-specific absorption spectra. Using these pigment-specific absorption spectra to reconstruct the phytoplankton absorption spectra results in high correlations at all visible wavelengths (r(sup 2) from 0.83 to 0.98), and linear regressions (slopes ranging from 0.8 to 1.1). Higher correlations (r(sup 2) from 0.75 to 1.00) are obtained in the visible portion of the spectra when the total phytoplankton absorption spectra are unpackaged by multiplying the entire spectra by a factor that sets the total absorption at 675 nm to that expected from absorption spectra reconstruction using measured pigment concentrations and laboratory-derived pigment-specific absorption spectra. The derived pigment-specific absorption spectra were further used with the total phytoplankton absorption spectra in a second linear inverse calculation to estimate the various phytoplankton HPLC pigments. A comparison between the estimated and measured pigment concentrations for the 18 pigment fields showed good correlations (r(sup 2) greater than 0.5) for 7 pigments and very good correlations (r(sup 2) greater than 0.7) for chlorophyll a and fucoxanthin. Higher correlations result when the analysis is carried out at more local geographic scales. The ability to estimate phytoplankton pigments using pigment-specific absorption spectra is critical for using hyperspectral inverse models to retrieve phytoplankton pigment concentrations and other Inherent Optical Properties (IOPs) from passive remote sensing observations.

  6. Molecular characterization of brown carbon (BrC) chromophores in secondary organic aerosol generated from photo-oxidation of toluene.

    Science.gov (United States)

    Lin, Peng; Liu, Jiumeng; Shilling, John E; Kathmann, Shawn M; Laskin, Julia; Laskin, Alexander

    2015-09-28

    Atmospheric brown carbon (BrC) is a significant contributor to light absorption and climate forcing. However, little is known about a fundamental relationship between the chemical composition of BrC and its optical properties. In this work, light-absorbing secondary organic aerosol (SOA) was generated in the PNNL chamber from toluene photo-oxidation in the presence of NOx (Tol-SOA). Molecular structures of BrC components were examined using nanospray desorption electrospray ionization (nano-DESI) and liquid chromatography (LC) combined with UV/Vis spectroscopy and electrospray ionization (ESI) high-resolution mass spectrometry (HRMS). The chemical composition of BrC chromophores and the light absorption properties of toluene SOA (Tol-SOA) depend strongly on the initial NOx concentration. Specifically, Tol-SOA generated under high-NOx conditions (defined here as initial NOx/toluene of 5/1) appears yellow and mass absorption coefficient of the bulk sample (MACbulk@365 nm = 0.78 m(2) g(-1)) is nearly 80 fold higher than that measured for the Tol-SOA sample generated under low-NOx conditions (NOx/toluene NOx. The integrated absorbance of these fifteen chromophores accounts for 40-60% of the total light absorbance by Tol-SOA at wavelengths between 300 nm and 500 nm. The combination of tandem LC-UV/Vis-ESI/HRMS measurements provides an analytical platform for predictive understanding of light absorption properties by BrC and their relationship to the structure of individual chromophores. General trends in the UV/Vis absorption by plausible isomers of the BrC chromophores were evaluated using theoretical chemistry calculations. The molecular-level understanding of BrC chemistry is helpful for better understanding the evolution and behavior of light absorbing aerosols in the atmosphere. PMID:26173064

  7. X-Shaped electro-optic chromophore with remarkably blue-shifted optical absorption. Synthesis, characterization, linear/nonlinear optical properties, self-assembly, and thin film microstructural characteristics.

    Science.gov (United States)

    Kang, Hu; Evmenenko, Guennadi; Dutta, Pulak; Clays, Koen; Song, Kai; Marks, Tobin J

    2006-05-10

    A novel type of "X-shaped" two-dimensional electro-optic (EO) chromophore with extended conjugation has been synthesized and characterized. This chromophore is found to exhibit a remarkably blue-shifted optical maximum (357 nm in CH(2)Cl(2)) while maintaining a very large first hyperpolarizability (beta). Hyper-Rayleigh Scattering (HRS) measurements at 800 nm provide a beta(zzz) value of 1840 x 10(-30) esu. Self-assembled thin films of this chromophore were fabricated via a layer-by-layer chemisorptive siloxane-based approach. The chromophoric multilayers have been characterized by transmission optical spectroscopy, advancing contact angle measurements, synchrotron X-ray reflectivity, atomic force microscopy, and angle-dependent polarized second harmonic generation spectroscopy. The self-assembled chromophoric films exhibit a dramatically blue-shifted optical maximum (325 nm) while maintaining a large EO response (chi(2)(333) approximately 232 pm/V at 1064 nm; r(33) approximately 45 pm/V at 1310 nm). This work demonstrates an attractive approach to developing EO materials offering improved nonlinearity-transparency trade-offs. PMID:16669690

  8. Self-Assembled Light-Harvesting System from Chromophores in Lipid Vesicles.

    Science.gov (United States)

    Sahin, Tuba; Harris, Michelle A; Vairaprakash, Pothiappan; Niedzwiedzki, Dariusz M; Subramanian, Vijaya; Shreve, Andrew P; Bocian, David F; Holten, Dewey; Lindsey, Jonathan S

    2015-08-13

    Lipid vesicles are used as the organizational structure of self-assembled light-harvesting systems. Following analysis of 17 chromophores, six were selected for inclusion in vesicle-based antennas. The complementary absorption features of the chromophores span the near-ultraviolet, visible, and near-infrared region. Although the overall concentration of the pigments is low (~1 μM for quantitative spectroscopic studies) in a cuvette, the lipid-vesicle system affords high concentration (≥10 mM) in the bilayer for efficient energy flow from donor to acceptor. Energy transfer was characterized in 13 representative binary mixtures using static techniques (fluorescence-excitation versus absorptance spectra, quenching of donor fluorescence, modeling emission spectra of a mixture versus components) and time-resolved spectroscopy (fluorescence, ultrafast absorption). Binary donor-acceptor systems that employ a boron-dipyrrin donor (S0 ↔ S1 absorption/emission in the blue-green) and a chlorin or bacteriochlorin acceptor (S0 ↔ S1 absorption/emission in the red or near-infrared) have an average excitation-energy-transfer efficiency (ΦEET) of ~50%. Binary systems with a chlorin donor and a chlorin or bacteriochlorin acceptor have ΦEET ∼ 85%. The differences in ΦEET generally track the donor-fluorescence/acceptor-absorption spectral overlap within a dipole-dipole coupling (Förster) mechanism. Substantial deviation from single-exponential decay of the excited donor (due to the dispersion of donor-acceptor distances) is expected and observed. The time profiles and resulting ΦEET are modeled on the basis of (Förster) energy transfer between chromophores relatively densely packed in a two-dimensional compartment. Initial studies of two ternary and one quaternary combination of chromophores show the enhanced spectral coverage and energy-transfer efficacy expected on the basis of the binary systems. Collectively, this approach may provide one of the simplest designs for

  9. Branched charge-transfer chromophores featuring a 4,5-dicyanoimidazole unit

    Czech Academy of Sciences Publication Activity Database

    Bureš, F.; Kulhánek, J.; Mikysek, T.; Ludvík, Jiří; Lokaj, J.

    2010-01-01

    Roč. 51, č. 15 (2010), s. 2055-2058. ISSN 0040-4039 Institutional research plan: CEZ:AV0Z40400503 Keywords : non-linear optical chromophores * 2-photon absorption * imidazole chromophores Subject RIV: CG - Electrochemistry Impact factor: 2.618, year: 2010

  10. Synthesis and properties of tribranched chromophores with triazine and fluorene units

    Institute of Scientific and Technical Information of China (English)

    Li Liu; Zhi Qiang Zhou; Jie Ping Shi; Chang Gui Lu; Yi Ping Cui; Guo Yuan Lu

    2011-01-01

    Two tribranched chromophores, 1,3,5-triazine as electron deficient core, 9,9-dimethylfluorene as π-conjugated bridge, diphenylamino (4a) and naphthylamino (4b) as electron-donating end-groups, were successfully prepared via Buchwald-Hartwig coupling reaction. Their linear photophysical and two-photon absorption (TPA) properties were investigated by absorption, fluorescence and nonlinear transmission method, respectively. The absorption cut-offs of the chromophores are below 550 run and both chromophores have strong fluorescence emission. The compound 4a (206.3 GM) exhibits larger TPA cross-section than 4b (57.8 GM) in the femtosecond regime at 800 nm.

  11. Correlation between diagnostic 59Fe2+-absorption and serum ferritin concentration in man

    International Nuclear Information System (INIS)

    A high correlation coefficent r = -0.832 (Psub(r not equal to 0) 59Fe2+-absorption and the serum ferritin concentration which is very close to the correlations r = -0.88 59Fe2+-absorption and the diffuse cytoplasmic storage iron in the bone marrow macrophages. The increase of the diagnostic 59Fe2+-absorption seems to be an earlier and more sensitive indicator of depleted iron stores whereas the serum ferritin decreases somewhat later during the development of iron deficiency. (orig.)

  12. EDXRF quantitative analysis of chromophore chemical elements in corundum samples.

    Science.gov (United States)

    Bonizzoni, L; Galli, A; Spinolo, G; Palanza, V

    2009-12-01

    Corundum is a crystalline form of aluminum oxide (Al(2)O(3)) and is one of the rock-forming minerals. When aluminum oxide is pure, the mineral is colorless, but the presence of trace amounts of other elements such as iron, titanium, and chromium in the crystal lattice gives the typical colors (including blue, red, violet, pink, green, yellow, orange, gray, white, colorless, and black) of gemstone varieties. The starting point for our work is the quantitative evaluation of the concentration of chromophore chemical elements with a precision as good as possible to match the data obtained by different techniques as such as optical absorption photoluminescence. The aim is to give an interpretation of the absorption bands present in the NIR and visible ranges which do not involve intervalence charge transfer transitions (Fe(2+) --> Fe(3+) and Fe(2+) --> Ti(4+)), commonly considered responsible of the important features of the blue sapphire absorption spectra. So, we developed a method to evaluate as accurately as possible the autoabsorption effects and the secondary excitation effects which frequently are sources of relevant errors in the quantitative EDXRF analysis. PMID:19821113

  13. Catalytic effect of free iron ions and heme-iron on chromophore oxidation of a polyene antibiotic amphotericin B

    Science.gov (United States)

    Czernel, Grzegorz; Typek, Rafał; Klimek, Katarzyna; Czuryło, Aleksandra; Dawidowicz, Andrzej L.; Gagoś, Mariusz

    2016-05-01

    Owing to the presence of a chromophore in the amphotericin B (AmB) structure, the molecule can undergo the oxidation process. In this research, AmB chromophore oxidation was catalysed by iron ions (iron(III) chloride (FeCl3), pH 2.5) and by heme-iron (methemoglobin (HbFe(III)), and hemin (heme-Fe(III)) at pH 7.0). Additionally, we compared oxidation processes induced by the aforementioned oxidizing agents with autoxidation by dioxygen (O2) naturally occurring in a sample. The effects of the interaction of the oxidizing agents with AmB were analysed using molecular spectroscopies (electronic absorption (UV-Vis), fluorescence) and LC-MS. The use of a 1,10-phenanthroline (phen) chelator facilitated unambiguous determination of the oxidative effect of free iron(III) ions (FeIII) in an acidic solution on the AmB molecules. Also, the changes in the spectra of fluorescence emission centred at ∼470 nm indicate iron-catalysed processes of AmB chromophore oxidation. Unexpectedly, we found a similar spectroscopic effect for AmB induced by methemoglobin and hemin at pH 7.0. Methemoglobin and hemin at a concentration of 8 × 10-7 M (physiological) significantly increases the rate of the processes of AmB chromophore oxidation relative to the process of autoxidation.

  14. Gas concentration measurement by optical similitude absorption spectroscopy: methodology and experimental demonstration.

    Science.gov (United States)

    Anselmo, Christophe; Welschinger, Jean-Yves; Cariou, Jean-Pierre; Miffre, Alain; Rairoux, Patrick

    2016-06-13

    We propose a new methodology to measure gas concentration by light-absorption spectroscopy when the light source spectrum is larger than the spectral width of one or several molecular gas absorption lines. We named it optical similitude absorption spectroscopy (OSAS), as the gas concentration is derived from a similitude between the light source and the target gas spectra. The main OSAS-novelty lies in the development of a robust inversion methodology, based on the Newton-Raphson algorithm, which allows retrieving the target gas concentration from spectrally-integrated differential light-absorption measurements. As a proof, OSAS is applied in laboratory to the 2ν3 methane absorption band at 1.66 µm with uncertainties revealed by the Allan variance. OSAS has also been applied to non-dispersive infra-red and the optical correlation spectroscopy arrangements. This all-optics gas concentration retrieval does not require the use of a gas calibration cell and opens new tracks to atmospheric gas pollution and greenhouse gases sources monitoring. PMID:27410280

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

    Science.gov (United States)

    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

  16. The effect of concentration and chemical form on the gastrointestinal absorption of neptunium

    International Nuclear Information System (INIS)

    Gastrointestinal absorption of neptunium at low mass concentrations as 239Np nitrate (0.5-1 ng Np; 2-5 μg 1-1) has been found to be 0.03, 0.02 and 0.18% in adult rats, hamsters and rabbits, respectively. Administration as 239Np bicarbonate increased uptake in the rat to 0.15% but had no significant effect on uptake in either the hamster or the rabbit. Absorption in the rat was also increased to 0.14% for 239Np citrate but not for either 239Np phytate (0.04%) or 239Np incorporated into rat liver (0.01%). The fasting of rats for 8 hours increased their subsequent absorption of 239Np as the bicarbonate to 0.25%. The absorption of neptunium at high mass concentrations as 237Np nitrate (0.5 mg Np, 5 g 1-1) was increased to 0.26% in the rat compared with the value of 0.03% for 239Np (0.5 ng, 5 μg 1-1) but a similar effect of concentration was not observed in the hamster. The results support the use of a value of absorption of 0.1% instead of 1% in calculations of annual limits on intake of radioisotopes of neptunium by workers and in estimates of radiation doses resulting from the ingestion of contaminated food and water by adult members of the public. (author)

  17. Molecular Characterization of Brown Carbon (BrC) Chromophores in Secondary Organic Aerosol Generated From Photo-Oxidation of Toluene

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Peng; Liu, Jiumeng; Shilling, John E.; Kathmann, Shawn M.; Laskin, Julia; Laskin, Alexander

    2015-09-28

    Atmospheric Brown carbon (BrC) is a significant contributor to light absorption and climate forcing. However, little is known about a fundamental relationship between the chemical composition of BrC and its optical properties. In this work, light-absorbing secondary organic aerosol (SOA) was generated in the PNNL chamber from toluene photo-oxidation in the presence of NOx (Tol-SOA). Molecular structures of BrC components were examined using nanospray desorption electrospray ionization (nano-DESI) and liquid chromatography (LC) combined with UV/Vis spectroscopy and electrospray ionization (ESI) high-resolution mass spectrometry (HRMS). The chemical composition of BrC chromophores and the light absorption properties of toluene SOA (Tol-SOA) depend strongly on the initial NOx concentration. Specifically, Tol-SOA generated under high-NOx conditions (defined here as initial NOx/toluene of 5/1) appears yellow and mass absorption coefficient of the bulk sample (MACbulk@365nm = 0.78 m2 g-1) is nearly 80 fold higher than that measured for the Tol-SOA sample generated under low-NOx conditions (NOx/toluene < 1/300). Fifteen compounds, most of which are nitrophenols, are identified as major BrC chromophores responsible for the enhanced light absorption of Tol-SOA material produced in the presence of NOx. The integrated absorbance of these fifteen chromophores accounts for 40-60% of the total light absorbance by Tol-SOA at wavelengths between 300 nm and 500 nm. The combination of tandem LC-UV/Vis-ESI/HRMS measurements provides an analytical platform for predictive understanding of light absorption properties by BrC and their relationship to the structure of individual chromophores. General trends in the UV/vis absorption by plausible isomers of the BrC chromophores were evaluated using theoretical chemistry calculations. The molecular-level understanding of BrC chemistry is helpful for better understanding the evolution and behavior of light absorbing aerosols in the atmosphere.

  18. Tunable dual-band light trapping and absorption enhancement with graphene concentric ring arrays

    CERN Document Server

    Xiao, Shuyuan; Liu, Yuebo; Han, Xu; Yan, Xicheng

    2016-01-01

    Surface plasmon resonance (SPR) has been intensively studied and widely employed for light trapping and absorption enhancement. In the mid-infrared and terahertz (THz) regime, graphene supports the tunable SPR via manipulating its Fermi energy and enhances light-matter interaction at the selective wavelength. In this paper, a pair of graphene concentric rings has been proposed to introduce tunable dual-band light trapping with good angle polarization tolerance and enhance the absorption in the low light-absorbing efficiency materials nearby to more than one order. Moreover, the design principle here could be set as a template to achieve multi-band plasmonic absorption enhancement by introducing more graphene concentric rings into each unit cell. This work not only opens up new ways of employing graphene SPR, but also leads to practical applications in high-performance simultaneous multi-color photodetection with high efficiency and tunable spectral selectivity.

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

    Science.gov (United States)

    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

  20. Chromophores in lignin-free cellulosic materials belong to three compound classes. Chromophores in cellulosics, XII

    Science.gov (United States)

    The CRI (chromophore release and identification) method isolates well-defined chromophoric substances from different cellulosic matrices, such as highly bleached pulps, cotton linters, bacterial cellulose, viscose or lyocell fibers, and cellulose acetates. The chromophores are present only in extrem...

  1. Theoretical investigation of nonlinear properties of electrooptical chromophores

    Institute of Scientific and Technical Information of China (English)

    Zhou Yu-fang; Zhuang De-xin

    2004-01-01

    Organic electrooptical (EO) chromophores are now gaining more attention because the property of organic photorefrative (PR) materials could be controlled by doped EO chromophores. In this paper, nonlinear optical (NLO) properties of a new group of organic electrooptical chromophores, synthesized recently in our laboratory, were elucidated theoretically with the quantum chemical density functional theory (DFT) and the intermediate neglect of differential overlap Hamilton and the configuration interaction (INDO/CI), as well as semiemperical Austin Model 1 (AM1) methods. The electronic transition intensity, dipole moment and the second- order polarizability were obtained. The results show this group of chrormophores possess appropriate optical absorption property and good electrooptical property and optical activity. The second-order polarizabilities βare as large as the order of 10-29 to 10-28 ESU, indicating the promising applications in the future. The physical mechanism of NLO is discussed by means of molecular orbital and electronic charge distribution.

  2. 藻类内源产生有色溶解有机物的吸收和三维荧光特性研究%Absorption and Fluorescence Properties of Chromophoric Dissolved Organic Matter Produced by Algae

    Institute of Scientific and Technical Information of China (English)

    彭彤; 陆小兰; 苏荣国; 张栋梅

    2015-01-01

    dinoflagellates (Prorocentrum donghaiense and Gym-nodinium)were cultured under laboratory conditions.Variations of optical properties of chromophoric dis-solved organic matter (CDOM)were studied with absorption and fluorescence excitation-emission matrix spec-troscopy(EEM)during growth of marine microalgae in incubation experiment.Absorption spectrum revealed absorption coefficientα(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 ab-sorption 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%,re-spectively.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,fluo-rescence 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,α(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 pa-rameters changed more obviously of the diatom than those of dinoflagellate;the proportion of humic-like com-ponents in the composition of CDOM also increased clearly with the growth of marine microalgae,but protein-like fluorescent component had only a slow growth.Furthermore,the absorption spectrum of CDOM produced by different species of algae

  3. Subcutaneous absorption kinetics of two highly concentrated preparations of recombinant human growth hormone

    DEFF Research Database (Denmark)

    Laursen, Torben; Jørgensen, Jens Otto Lunde; Susgaard, Søren;

    1993-01-01

    Abstract OBJECTIVE: The relative bioavailability of two highly concentrated (12 IU/ml) formulations of biosynthetic human growth hormone (GH) administered subcutaneously was compared. DESIGN: A randomized, crossover study. Conventional GH therapy was withdrawn 72 hours before each study period...... frequently for 24 hours. Samples were taken every 30 minutes for 6 hours and then hourly. MAIN OUTCOME MEASURES: Bioavailability (F) and absorption dynamics of human GH were measured. The relative absorption fractions estimated from the areas under the individual serum concentration curves from 0 to 24 hours......, and the observed time (Tmax) to reach the maximum concentration (Cmax) were determined. Short-term metabolic effects of GH on insulin-like growth factor (IGF-I), glucose, and insulin were determined. RESULTS: The geometric mean (SD) of F was 0.910 (1,236). The 90 percent confidence interval was 0...

  4. Near infrared tunable diode laser absorption spectroscopy for ethylene concentration analysis

    Science.gov (United States)

    Pan, W. D. D.; Dai, J. M. M.; Zhang, Y. F. F.; Zhang, L.

    2013-01-01

    The absorption spectra of ethylene (C2H4) located at v5+v9 band near 1626nm involve some strong peaks that are suitable for trace gas concentration detection. They are interference free from other abundant molecules that are normally present in the atmosphere. An ethylene analysis system has been developed based on the tunable diode laser absorption spectroscopy. The high resolution transmission of ethylene near 1626nm has been measured by this system under different concentration. The severe overlapping between neighboring spectral lines of ethylene is observed and they cannot be separated with each other easily under atmospheric pressure and room temperature, so a multi-peaks spectrum recognition method is proposed to separate the ethylene spectrum from other interference gas while the ethylene concentration is ultra low. A mixture of high concentration methane, low concentration ethylene with air is used to evaluate the recognition efficiency. The result shows that the ethylene line can be abstract from strong background interference using multi-peaks spectrum recognition method and the accuracy of concentration measurement can reach about 5% comparing with a mass flow meter.

  5. Search for Singlet Fission Chromophores

    Energy Technology Data Exchange (ETDEWEB)

    Havlas, Z.; Akdag, A.; Smith, M. B.; Dron, P.; Johnson, J. C.; Nozik, A. J.; Michl, J.

    2012-01-01

    Singlet fission, in which a singlet excited chromophore shares its energy with a ground-state neighbor and both end up in their triplet states, is of potential interest for solar cells. Only a handful of compounds, mostly alternant hydrocarbons, are known to perform efficiently. In view of the large number of conditions that a successful candidate for a practical cell has to meet, it appears desirable to extend the present list of high performers to additional classes of compounds. We have (i) identified design rules for new singlet fission chromophores and for their coupling to covalent dimers, (ii) synthesized them, and (iii) evaluated their performance as neat solids or covalent dimers.

  6. The determination, by atomic-absorption spectrophotometry, of trace elements in sulphide concentrates

    International Nuclear Information System (INIS)

    The separation, concentration, and determination of trace elements in base-metal and sulphide concentrates are described. After the sample has been dissolved, the trace elements that form insoluble hydroxides are precipitated with lanthanum as the coprecipitant and are separated from those elements that form soluble amines with ammonia. The precipitate is dissolved, and the trace elements selenium, tellurium, arsenic, antimony, bismuth, tin, vanadium, chromium, manganese, and aluminium are determined by atomic-absorption spectrophotometry. Coefficients of variation between 1 and 10 per cent, depending on the amount of the element, were obtained, with limits of determination ranging from 0,1 to 50 p.p.m

  7. Search for singlet fission chromophores

    Czech Academy of Sciences Publication Activity Database

    Havlas, Zdeněk; Akdag, Akin; Smith, M. B.; Dron, P.; Johnson, J. C.; Nozik, A. J.; Michl, Josef

    Philadelphia: American Chemical Society, 2012. 31PHYS. ISSN 0065-7727. [National Fall Meeting of the American Chemical Society /244./. 19.08.2012-23.08.2012, Philadelphia] Institutional support: RVO:61388963 Keywords : singlet fission * chromophores Subject RIV: CF - Physical ; Theoretical Chemistry

  8. Atomic-absorption determination of tantalum and niobium in ore concentrates

    International Nuclear Information System (INIS)

    A flame atom-absorption method was developed for determining tantalum and niobium at their level greater than 5% in Ta-Nb ore concentrates. Flame was produced by a nitrous oxide-acetylene mixture. The optimal composition of a buffer (3 mg/ml) of iron was determined by the method of factorial planning of the experiment and steep ascention by gradient. The optimizing parameter in factorial planning was obtained from the difference of optical densities of Ta and Nb, by taking the average value for two solutions which had dissimilar total composition and which imitated the real composition of the ore concentrates, i.e., the value of (ΔD/Dsub(av))sub(Ta) or (ΔD/Dsub(av))sub(Nb). The optimization of analytical conditions corresponded to the condition (ΔD/Dsub(av))→ 0, which indicated that the chosen optimizing parameter also facilitated the attainment of maximum D values. The variation coefficient in the determination of Ta and Nb was respectively 0.8 and 1.4%. There was a good agreement between the results obtained in Ta analysis by the atom-absorption and the extraction-gravimetric methods, and in Nb analysis by the atom-absorption, differential spectrophotometric and x-ray fluorescence methods

  9. Study of smartphone suitability for mapping of skin chromophores

    Science.gov (United States)

    Kuzmina, Ilona; Lacis, Matiss; Spigulis, Janis; Berzina, Anna; Valeine, Lauma

    2015-09-01

    RGB (red-green-blue) technique for mapping skin chromophores by smartphones is proposed and studied. Three smartphones of different manufacturers were tested on skin phantoms and in vivo on benign skin lesions using a specially designed light source for illumination. Hemoglobin and melanin indices obtained by these smartphones showed differences in both tests. In vitro tests showed an increment of hemoglobin and melanin indices with the concentration of chromophores in phantoms. In vivo tests indicated higher hemoglobin index in hemangiomas than in nevi and healthy skin, and nevi showed higher melanin index compared to the healthy skin. Smartphones that allow switching off the automatic camera settings provided useful data, while those with "embedded" automatic settings appear to be useless for distant skin chromophore mapping.

  10. Measurements of liquid film thickness, concentration, and temperature of aqueous urea solution by NIR absorption spectroscopy

    Science.gov (United States)

    Pan, R.; Jeffries, J. B.; Dreier, T.; Schulz, C.

    2016-01-01

    A multi-wavelength near-infrared (NIR) diode laser absorption sensor has been developed and demonstrated for real-time monitoring of the thickness, solute concentration, and temperature of thin films of urea-water solutions. The sensor monitors the transmittance of three near-infrared diode lasers through the thin liquid film. Film thickness, urea mass fraction, and liquid temperature were determined from measured transmittance ratios of suitable combinations of lasers. Available laser wavelengths were selected depending on the variation of the NIR absorption spectrum of the solution with temperature and solute concentration. The spectral database was measured by a Fourier transform infrared spectrometer in the range 5500-8000 cm-1 for urea solutions between 5 and 40 wt% and temperatures between 298 and 338 K. A prototype sensor was constructed, and the sensor concept was first validated with measurements using a calibration cell providing liquid layers of variable thickness (200-1500 µm), urea mass fraction (5-40 wt%) and temperature (298-318 K). Temporal variations of film thickness and urea concentration were captured during the constant-temperature evaporation of a liquid film deposited on an optically polished heated quartz flat.

  11. Photoproduction of hydrogen peroxide in aqueous solution from model compounds for chromophoric dissolved organic matter (CDOM)

    International Nuclear Information System (INIS)

    Highlights: • CDOM produces hydrogen peroxide in sunlit surface waters. • Quinone moieties have been proposed as the photo-active chromophore in CDOM. • Hydrogen peroxide is produced in irradiated aqueous quinone solutions. • Concentrations and production rates are comparable to humic and fulvic acids. • Optical properties post-irradiation were similar to CDOM. - Abstract: To explore whether quinone moieties are important in chromophoric dissolved organic matter (CDOM) photochemistry in natural waters, hydrogen peroxide (H2O2) production and associated optical property changes were measured in aqueous solutions irradiated with a Xenon lamp for CDOM model compounds (dihydroquinone, benzoquinone, anthraquinone, napthoquinone, ubiquinone, humic acid HA, fulvic acid FA). All compounds produced H2O2 with concentrations ranging from 15 to 500 μM. Production rates were higher for HA vs. FA (1.32 vs. 0.176 mM h−1); values ranged from 6.99 to 0.137 mM h−1 for quinones. Apparent quantum yields (Θapp; measure of photochemical production efficiency) were higher for HA vs. FA (0.113 vs. 0.016) and ranged from 0.0018 to 0.083 for quinones. Dihydroquinone, the reduced form of benzoquinone, had a higher production rate and efficiency than its oxidized form. Post-irradiation, quinone compounds had absorption spectra similar to HA and FA and 3D-excitation–emission matrix fluorescence spectra (EEMs) with fluorescent peaks in regions associated with CDOM

  12. Chromophore Deprotonation State Alters the Optical Properties of Blue Chromoprotein.

    Directory of Open Access Journals (Sweden)

    Cheng-Yi Chiang

    Full Text Available Chromoproteins (CPs have unique colors and can be used in biological applications. In this work, a novel blue CP with a maximum absorption peak (λmax at 608 nm was identified from the carpet anemone Stichodactyla gigantea (sgBP. In vivo expression of sgBP in zebrafish would change the appearance of the fishes to have a blue color, indicating the potential biomarker function. To enhance the color properties, the crystal structure of sgBP at 2.25 Å resolution was determined to allow structure-based protein engineering. Among the mutations conducted in the Gln-Tyr-Gly chromophore and chromophore environment, a S157C mutation shifted the λmax to 604 nm with an extinction coefficient (ε of 58,029 M-1·cm-1 and darkened the blue color expression. The S157C mutation in the sgBP chromophore environment could affect the color expression by altering the deprotonation state of the phenolic group in the chromophore. Our results provide a structural basis for the blue color enhancement of the biomarker development.

  13. Influence of Magnetic Losses on Microwave Absorption by Carbon-Nanotube Nanocomposites with a Low Concentration of Ferromagnetic Nanoparticles

    Science.gov (United States)

    Avramchuk, A. V.; Kasperovich, M. M.; Pevneva, N. A.; Gusinsky, A. V.; Korolik, O. V.; Tivanov, M. S.; Shulitski, B. G.; Labunov, V. A.; Danilyuk, A. L.; Komissarov, I. V.; Prischepa, S. L.

    2016-05-01

    The absorption properties of magnetic nanocomposites based on carbon nanotubes with a low concentration of ferromagnetic nanoparticles have been investigated in the 78-118 GHz frequency range. A correlation was established between the absorption properties of the nanocomposites and the character of the magnetostatic interaction between nanoparticles.

  14. Electrochemical Study of Oxazaborine Chromophores

    Czech Academy of Sciences Publication Activity Database

    Mikysek, T.; Josefík, F.; Vytřas, K.; Ludvík, Jiří

    Ústí nad Labem : Srsenová Lenka - Best Servis, 2015 - (Navrátil, T.; Fojta, M.; Schwarzová, K.), s. 152-155 ISBN 978-80-905221-3-8. [Moderní elektrochemické metody /35./. Jetřichovice (CZ), 18.05.2015-22.05.2015] Institutional support: RVO:61388955 Keywords : oxazaborines * chromophore * cyclic voltammetry Subject RIV: CG - Electrochemistry

  15. Performance Evaluation of a Nanofluid-Based Direct Absorption Solar Collector with Parabolic Trough Concentrator

    Directory of Open Access Journals (Sweden)

    Guoying Xu

    2015-12-01

    Full Text Available Application of solar collectors for hot water supply, space heating, and cooling plays a significant role in reducing building energy consumption. For conventional solar collectors, solar radiation is absorbed by spectral selective coating on the collectors’ tube/plate wall. The poor durability of the coating can lead to an increased manufacturing cost and unreliability for a solar collector operated at a higher temperature. Therefore, a novel nanofluid-based direct absorption solar collector (NDASC employing uncoated collector tubes has been proposed, and its operating characteristics for medium-temperature solar collection were theoretically and experimentally studied in this paper. CuO/oil nanofluid was prepared and used as working fluid of the NDASC. The heat-transfer mechanism of the NDASC with parabolic trough concentrator was theoretically evaluated and compared with a conventional indirect absorption solar collector (IASC. The theoretical analysis results suggested that the fluid’s temperature distribution in the NDASC was much more uniform than that in the IASC, and an enhanced collection efficiency could be achieved for the NDASC operated within a preferred working temperature range. To demonstrate the feasibility of the proposed NDASC, experimental performances of an NDASC and an IASC with the same parabolic trough concentrator were furthermore evaluated and comparatively discussed.

  16. [Synchronous measurement of concentrations of nitric oxide and nitric dioxide in flue gas by ultraviolet absorption analysis].

    Science.gov (United States)

    Zhou, Jie; Zhang, Shi-Liang

    2008-04-01

    Ultraviolet absorption optical depths of NO and NO2 gas mixture with different concentrations were measured, using a high resolution grating monochromator. By correlating fast-varying discrete absorption and slow-varying continuous absorption with NO and NO2 contributions respectively, the mole concentrations of NO and NO2 were derived synchronously. The study results indicated that, when the total pressure of gas mixture approached to one atmospheric pressure, a strong tendency that two moles of NO2 were combined into one mole of N2O4 was found. The maximum conversion rate from NO2 to N2O4 was roughly 22.5%, resulting in the fact that the effective absorption cross-section of NO2-N2O4 mixture mainly depended on that of N2O4, which exhibited continuous characteristics in its absorption spectrum. The discrete absorption cross-section spectrum was broadened with the increase in the partial pressure of NO. It was shown that the integral of absorption cross-sections within a discrete absorption band had better linear correlation with NO concentration than the discrete absorption cross-section peak The measurement and derivation results indicated that, when the partial pressure of NO2 varied within 17-100 Pa, the average relative error for the derived NO2 concentration was 11.7%. When the partial pressure of NO varied within 63.8-181.62 Pa, the maximum and average relative error for the derivation of NO concentration was 16.9% and 9.6% respectively by using the spectrum integral method, while the corresponding data rose to 38.2% and 14.4% by using the spectral peak method. The technique can be applied to synchronous monitoring of NO and NO2 concentration with relatively simple measurement hardware. PMID:18619318

  17. Chromophore composition of the phycobiliprotein Cr-PC577 from the cryptophyte Hemiselmis pacifica.

    Science.gov (United States)

    Overkamp, Kristina E; Langklotz, Sina; Aras, Marco; Helling, Stefan; Marcus, Katrin; Bandow, Julia E; Hoef-Emden, Kerstin; Frankenberg-Dinkel, Nicole

    2014-12-01

    The cryptophyte phycocyanin Cr-PC577 from Hemiselmis pacifica is a close relative of Cr-PC612 found in Hemiselmis virescens and Hemiselmis tepida. The two biliproteins differ in that Cr-PC577 lacks the major peak at around 612 nm in the absorption spectrum. Cr-PC577 was thus purified and characterized with respect to its bilin chromophore composition. Like other cryptophyte phycobiliproteins, Cr-PC577 is an (αβ)(α'β) heterodimer with phycocyanobilin (PCB) bound to the α-subunits. While one chromophore of the β-subunit is also PCB, mass spectrometry identified an additional chromophore with a mass of 585 Da at position β-Cys-158. This mass can be attributed to either a dihydrobiliverdin (DHBV), mesobiliverdin (MBV), or bilin584 chromophore. The doubly linked bilin at position β-Cys-50 and β-Cys-61 could not be identified unequivocally but shares spectral features with DHBV. We found that Cr-PC577 possesses a novel chromophore composition with at least two different chromophores bound to the β-subunit. Overall, our data contribute to a better understanding of cryptophyte phycobiliproteins and furthermore raise the question on the biosynthetic pathway of cryptophyte chromophores. PMID:25134685

  18. Cluster analysis of diurnal variations in BC concentration from Multi-Angle Absorption Photometer

    Science.gov (United States)

    Han, Y.; KIM, C.; Park, J.; Choi, Y.; Ghim, Y.

    2013-12-01

    Black carbon (BC) is emitted from incomplete combustion of carbon-containing fuels, such as fossil fuels (diesel and coal) and biomass burning (forest fires and burning of agricultural waste). We have measured BC concentration using MAAP (Multi-Angle Absorption Photometer, Model 5012, Thermo Scientific) during the past few years. The measurement site is on the rooftop of the five-story building on the hill (37.02 °N, 127.16 °E, 167 m above sea level), about 35 km southeast of Seoul; there are no major emission sources nearby except a 4-lane road running about 1.4 km to the west. Previous studies reveal that the effects of vehicle emissions are not as direct as urban sites but those of biomass burning are general. Diurnal variations of BC concentration are classified using cluster analysis. Typical patterns are determined to identify the primary emissions and their effects on the concentration level. High concentration episodes are discriminated and major factors that influence the evolution of the episodes are investigated.

  19. Method Of Signal Amplification In Multi-Chromophore Luminescence Sensors

    Energy Technology Data Exchange (ETDEWEB)

    Levitsky, Igor A. (Fall River, MA); Krivoshlykov, Sergei G. (Shrewsbury, MA)

    2004-02-03

    A fluorescence-based method for highly sensitive and selective detection of analyte molecules is proposed. The method employs the energy transfer between two or more fluorescent chromophores in a carefully selected polymer matrix. In one preferred embodiment, signal amplification has been achieved in the fluorescent sensing of dimethyl methylphosphonate (DMMP) using two dyes, 3-aminofluoranthene (AM) and Nile Red (NR), in a hydrogen bond acidic polymer matrix. The selected polymer matrix quenches the fluorescence of both dyes and shifts dye emission and absorption spectra relative to more inert matrices. Upon DMMP sorption, the AM fluorescence shifts to the red at the same time the NR absorption shifts to the blue, resulting in better band overlap and increased energy transfer between chromophores. In another preferred embodiment, the sensitive material is incorporated into an optical fiber system enabling efficient excitation of the dye and collecting the fluorescent signal form the sensitive material on the remote end of the system. The proposed method can be applied to multichromophore luminescence sensor systems incorporating N-chromophores leading to N-fold signal amplification and improved selectivity. The method can be used in all applications where highly sensitive detection of basic gases, such as dimethyl methylphosphonate (DMMP), Sarin, Soman and other chemical warfare agents having basic properties, is required, including environmental monitoring, chemical industry and medicine.

  20. THE RADIAL DISTRIBUTION OF WATER ICE AND CHROMOPHORES ACROSS SATURN'S SYSTEM

    Energy Technology Data Exchange (ETDEWEB)

    Filacchione, G.; Capaccioni, F.; Cerroni, P.; Tosi, F.; Ciarniello, M. [INAF-IAPS, Istituto di Astrofisica e Planetologia Spaziali, Area di Ricerca di Tor Vergata, via del Fosso del Cavaliere, 100, I-00133, Rome (Italy); Clark, R. N. [Federal Center, US Geological Survey, Denver, CO 80228 (United States); Nicholson, P. D.; Lunine, J. I.; Hedman, M. M. [Astronomy Department, Cornell University, 418 Space Sciences Building, Ithaca, NY 14853 (United States); Cruikshank, D. P.; Cuzzi, J. N. [NASA Ames Research Center, Moffett Field, CA 94035-1000 (United States); Brown, R. H. [Lunar Planetary Laboratory, University of Arizona, Kuiper Space Sciences 431A, Tucson, AZ 85721-0092 (United States); Buratti, B. J. [NASA Jet Propulsion Laboratory, California Institute of Technology, 4800 Oak Grove Drive, Pasadena, CA 91109 (United States); Flamini, E., E-mail: gianrico.filacchione@iaps.inaf.it [ASI, Italian Space Agency, viale Liegi 26, I-00198 Rome (Italy)

    2013-04-01

    Over the past eight years, the Visual and Infrared Mapping Spectrometer (VIMS) on board the Cassini orbiter has returned hyperspectral images in the 0.35-5.1 {mu}m range of the icy satellites and rings of Saturn. These very different objects show significant variations in surface composition, roughness, and regolith grain size as a result of their evolutionary histories, endogenic processes, and interactions with exogenic particles. The distributions of surface water ice and chromophores, i.e., organic and non-icy materials, across the Saturnian system, are traced using specific spectral indicators (spectral slopes and absorption band depths) obtained from rings mosaics and disk-integrated satellites observations by VIMS. Moving from the inner C ring to Iapetus, we found a marking uniformity in the distribution of abundance of water ice. On the other hand, the distribution of chromophores is much more concentrated in the rings particles and on the outermost satellites (Rhea, Hyperion, and Iapetus). A reduction of red material is observed on the satellites' surfaces orbiting within the E ring environment likely due to fine particles from Enceladus' plumes. Once the exogenous dark material covering the Iapetus' leading hemisphere is removed, the texture of the water ice-rich surfaces, inferred through the 2 {mu}m band depth, appears remarkably uniform across the entire system.

  1. THE RADIAL DISTRIBUTION OF WATER ICE AND CHROMOPHORES ACROSS SATURN'S SYSTEM

    International Nuclear Information System (INIS)

    Over the past eight years, the Visual and Infrared Mapping Spectrometer (VIMS) on board the Cassini orbiter has returned hyperspectral images in the 0.35-5.1 μm range of the icy satellites and rings of Saturn. These very different objects show significant variations in surface composition, roughness, and regolith grain size as a result of their evolutionary histories, endogenic processes, and interactions with exogenic particles. The distributions of surface water ice and chromophores, i.e., organic and non-icy materials, across the Saturnian system, are traced using specific spectral indicators (spectral slopes and absorption band depths) obtained from rings mosaics and disk-integrated satellites observations by VIMS. Moving from the inner C ring to Iapetus, we found a marking uniformity in the distribution of abundance of water ice. On the other hand, the distribution of chromophores is much more concentrated in the rings particles and on the outermost satellites (Rhea, Hyperion, and Iapetus). A reduction of red material is observed on the satellites' surfaces orbiting within the E ring environment likely due to fine particles from Enceladus' plumes. Once the exogenous dark material covering the Iapetus' leading hemisphere is removed, the texture of the water ice-rich surfaces, inferred through the 2 μm band depth, appears remarkably uniform across the entire system.

  2. Photophysical properties of octupolar chromophore based on triazine core and fluorene divinylene conjugated bridge

    Institute of Scientific and Technical Information of China (English)

    Li Wei; Jie Ping Shi; Zhi Qiang Zhou; Yi Ping Cui; Hong Wen Hu; Guo Yuan Lu

    2012-01-01

    A novel octupolar chromophore with 1,3,5-triazine as core,2,7-divinylene-9,9-dimethylfluorene as extended π-conjugated bridge,triarylamine as the electron-donating end-groups was successfully synthesized and characterized.Their linear photo-physical and two-photon absorption (TPA) properties were investigated by UV absorption,excited fluorescence (SPEF) spectra and nonlinear transmission method,respectively.The absorption cut-off of the chromophore is below 520 nm and it has stronger fluorescence emission in a nonpolar solvent.In addition,the chromophore exhibits larger TPA cross-section (226.0 GM) in the femtosecond regime at 800 nm.

  3. Concentration measurement of NO using self-absorption spectroscopy of the γ band system in a pulsed corona discharge.

    Science.gov (United States)

    Zhai, Xiaodong; Ding, Yanjun; Peng, Zhimin; Luo, Rui

    2012-07-10

    Nitric oxide (NO) concentrations were measured using the γ band system spectrum based on the strong self-absorption effect of NO in pulsed corona discharges. The radiative transitional intensities of the NO γ band were simulated based on the theory of molecular spectroscopy. The intensities of some bands, especially γ(0,0) and γ(1,0), are weakened by the self-absorption. The correlations between the spectral self-absorption intensities and NO concentration were validated using a modified Beer-Lambert law with a combined factor K relating the branching ratio and the NO concentration, and a nonlinear index α that is applicable to the broadband system. Optical emissive spectra in pulsed corona discharges in NO and N2/He mixtures were used to evaluate the two parameters for various conditions. Good agreement between the experimental and theoretical results verifies the self-absorption behavior seen in the UV spectra of the NO γ bands. PMID:22781235

  4. Rapid thermal tuning of chromophore structure in membrane protein.

    Science.gov (United States)

    Wang, Jianping; El-Sayed, Mostafa A

    2009-04-01

    We show that the configuration and the optical property of the retinal chromophore in bacteriorhodopsin (bR) can be tuned dynamically from the all-trans configuration to the 13-cis by using a nanosecond laser-induced temperature-jump. The rapid bleach in the visible absorption optical density of retinal has an apparent formation time of ca. 170 ns, whereas the relaxation process finishes within tens of ms. The dynamical transition of retinal from the all-trans to 13-cis species is believed to occur as a result of rapid protein conformational change especially in the vicinity of retinal binding site. Our study reveals the intrinsic dynamical aspect of the retinal chromophore with respect to the protein structure. PMID:19275202

  5. Absorption and emission of NIR fluorophores for use in Wavelength Selective Solar Concentrators

    Science.gov (United States)

    Hellier, Kaitlin; Corrado, Carley; Carter, Sue

    2014-03-01

    Wavelength Selective Solar Concentrators (WSSCs) offer a variety of applications as compared to traditional solar panels. Exploiting the property of power generation with transmission, we have turned our attention to the greenhouse industry. Our current design employs an organic dye (Lumogen Red 305) with an excitation peak in green wavelengths and an emission peak in red wavelengths, specifically targeting wavelengths unused in photosynthesis. To increase the efficiency of the WSSC without disrupting either existing function, we explore the addition of NIR dyes. Presented are the absorption and emission peaks of the dyes deposited into poly-vinyl butyral (PVB), polymethyl methacrylate (PMMA), and (TPU); the quantum yields of these films; and the combined spectra of the dyes with LR305.

  6. Determination of molybdenum in silicates through atomic absorption spectrometry using pre-concentration by active carbon

    International Nuclear Information System (INIS)

    An analytical procedure for molybdenum determination in geological materials through Atomic Absorption Spectrometry, after pre-concentration of the Mo-APDC complex in activated carbon, has been developed, which is needed in order to reduce the dilution effect in the sample decomposition. During the development of this method the influence of pH, the amount of APDC for complexation of Mo and the interference of Fe, Ca, Mn, Al, K, Na, Mg and Ti were tested. It was shown that none of these causes any significant effect on the Mo determination proposed. The results of the analysis at the international geochemical reference samples JB-1 (basalt) and GH (granite) were very accurate and showed that the detection limit in rocks (1,00g) is 0,6 ppm, when using sample dilution of 1 ml and microinjection techniques. (author)

  7. Determination of optimal source-detector separation in measuring chromophores in layered tissue with diffuse reflectance

    Institute of Scientific and Technical Information of China (English)

    Yunhan Luo; Houxin Cui; Xiaoyu Gu; Rong Liu; Kexin Xu

    2005-01-01

    Based on analysis of the relation between mean penetration depth and source-detector separation in a threelayer model with the method of Monte-Carlo simulation, an optimal source-detector separation is derived from the mean penetration depth referring to monitoring the change of chromophores concentration of the sandwiched layer. In order to verify the separation, we perform Monte-Carlo simulations with varied absorption coefficient of the sandwiched layer. All these diffuse reflectances are used to construct a calibration model with the method of partial least square (PLS). High correlation coefficients and low root mean square error of prediction (RMSEP) at the optimal separation have confirmed correctness of the selection. This technique is expected to show light on noninvasive diagnosis of near-infrared spectroscopy.

  8. Resonantly Enhanced Multi-Photon Ionization Spectrum of the Neutral Green Fluorescent Protein Chromophore

    OpenAIRE

    greenwood, jason; Miles, Jordan; De Camillis, Simone; Mulholland, Peter; Zhang, Lijuan; Parkes, Michael A.; Hailes, Helen C.; Fielding, Helen H.

    2014-01-01

    The photophysics of the green fluorescent protein is governed by the electronic structure of the chromophore at the heart of its β-barrel protein structure. We present the first two-color, resonance-enhanced, multiphoton ionization spectrum of the isolated neutral chromophore in vacuo with supporting electronic structure calculations. We find the absorption maximum to be 3.65 ± 0.05 eV (340 ± 5 nm), which is blue-shifted by 0.5 eV (55 nm) from the absorption maximum of the protein in its neut...

  9. Impact of Chromophoric Dissolved Organic Matter on UV Inhibition of Primary Productivity in the Sea

    Science.gov (United States)

    Arrigo, Kevin R.; Brown, Christopher W.

    1996-01-01

    A model was developed to assess the impact of chromophoric dissolved organic matter (CDOM) on phytoplankton production within the euphotic zone. The rate of depth-integrated daily gross primary productivity within the euphotic zone was evaluated as a function of date, latitude, CDONI absorption characteristics, chlorophyll a (chl a) concentration, vertical stratification, and phytoplankton sensitivity to UV radiation (UVR). Results demonstrated that primary production was enhanced in the upper 30 m of the water column by the presence of CDOM, where predicted increases in production due to the removal of damaging UVR more than offset its reduction resulting from the absorption of photosynthetically usable radiation. At greater depths, where little UVR remained, primary production was always reduced due to removal by CDOM of photosynthetically usable radiation. When CDOM was distributed homogeneously within the euphotic zone, the integral over z [(GPP)(sub ez)], was reduced under most bio-optical (i.e. solar zenith angle, and CDOM absorption, and ozone concentration) and photophysiological production at depth was greater than the enhancement of production at the surface.

  10. Time-resolved detection of temperature, concentration, and pressure in a shock tube by intracavity absorption spectroscopy

    Science.gov (United States)

    Fjodorow, Peter; Fikri, Mustapha; Schulz, Christof; Hellmig, Ortwin; Baev, Valery M.

    2016-06-01

    In this paper, we demonstrate the first application of intracavity absorption spectroscopy (ICAS) for monitoring species concentration, total pressure, and temperature in shock-tube experiments. ICAS with a broadband Er3+-doped fiber laser is applied to time-resolved measurements of absorption spectra of shock-heated C2H2. The measurements are performed in a spectral range between 6512 and 6542 cm-1, including many absorption lines of C2H2, with a time resolution of 100 µs and an effective absorption path length of 15 m. Up to 18-times increase of the total pressure and a temperature rise of up to 1200 K have been monitored. Due to the ability of simultaneously recording many absorption lines in a broad spectral range, the presented technique can also be applied to multi-component analysis of transient single-shot processes in reactive gas mixtures in shock tubes, pulse detonation engines, or explosions.

  11. Assessment of the performance of a compact concentric spectrometer system for Atmospheric Differential Optical Absorption Spectroscopy

    Science.gov (United States)

    Whyte, C.; Leigh, R. J.; Lobb, D.; Williams, T.; Remedios, J. J.; Cutter, M.; Monks, P. S.

    2009-12-01

    A breadboard demonstrator of a novel UV/VIS grating spectrometer has been developed based upon a concentric arrangement of a spherical meniscus lens, concave spherical mirror and curved diffraction grating suitable for a range of atmospheric remote sensing applications from the ground or space. The spectrometer is compact and provides high optical efficiency and performance benefits over traditional instruments. The concentric design is capable of handling high relative apertures, owing to spherical aberration and comma being near zero at all surfaces. The design also provides correction for transverse chromatic aberration and distortion, in addition to correcting for the distortion called "smile", the curvature of the slit image formed at each wavelength. These properties render this design capable of superior spectral and spatial performance with size and weight budgets significantly lower than standard configurations. This form of spectrometer design offers the potential for exceptionally compact instrument for differential optical absorption spectroscopy (DOAS) applications from LEO, GEO, HAP or ground-based platforms. The breadboard demonstrator has been shown to offer high throughput and a stable Gaussian line shape with a spectral range from 300 to 450 nm at 0.5 nm resolution, suitable for a number of typical DOAS applications.

  12. Assessment of the performance of a compact concentric spectrometer system for Atmospheric Differential Optical Absorption Spectroscopy

    Directory of Open Access Journals (Sweden)

    C. Whyte

    2009-08-01

    Full Text Available A breadboard demonstrator of a novel UV/VIS grating spectrometer for atmospheric research has been developed based upon a concentric arrangement of a spherical meniscus lens, concave spherical mirror and curved diffraction grating suitable for a range of remote sensing applications from the ground or space. The spectrometer is compact and provides high optical efficiency and performance benefits over traditional instruments. The concentric design is capable of handling high relative apertures, owing to spherical aberration and coma being near zero at all surfaces. The design also provides correction for transverse chromatic aberration and distortion, in addition to correcting for the distortion called "smile", the curvature of the slit image formed at each wavelength. These properties render this design capable of superior spectral and spatial performance with size and weight budgets significantly lower than standard configurations. This form of spectrometer design offers the potential for an exceptionally compact instrument for differential optical absorption spectroscopy (DOAS applications particularly from space (LEO, GEO orbits and from HAPs or ground-based platforms. The breadboard demonstrator has been shown to offer high throughput and a stable Gaussian line shape with a spectral range from 300 to 450 nm at better than 0.5 nm resolution, suitable for a number of typical DOAS applications.

  13. Assessment of the performance of a compact concentric spectrometer system for Atmospheric Differential Optical Absorption Spectroscopy

    Directory of Open Access Journals (Sweden)

    C. Whyte

    2009-12-01

    Full Text Available A breadboard demonstrator of a novel UV/VIS grating spectrometer has been developed based upon a concentric arrangement of a spherical meniscus lens, concave spherical mirror and curved diffraction grating suitable for a range of atmospheric remote sensing applications from the ground or space. The spectrometer is compact and provides high optical efficiency and performance benefits over traditional instruments. The concentric design is capable of handling high relative apertures, owing to spherical aberration and comma being near zero at all surfaces. The design also provides correction for transverse chromatic aberration and distortion, in addition to correcting for the distortion called "smile", the curvature of the slit image formed at each wavelength. These properties render this design capable of superior spectral and spatial performance with size and weight budgets significantly lower than standard configurations. This form of spectrometer design offers the potential for exceptionally compact instrument for differential optical absorption spectroscopy (DOAS applications from LEO, GEO, HAP or ground-based platforms. The breadboard demonstrator has been shown to offer high throughput and a stable Gaussian line shape with a spectral range from 300 to 450 nm at 0.5 nm resolution, suitable for a number of typical DOAS applications.

  14. Determination of cadmium, cobalt, manganese, copper, nickel, and chromium in concentrated solutions of calcium chloride by electrothermal atomic absorption spectrometry

    International Nuclear Information System (INIS)

    A procedure is developed for the direct determination of Cd, Co, Cr, Cu, Mn, and Ni in concentrated solutions of calcium chloride by electrothermal atomic absorption spectrometry. Ascorbic and oxalic acids and magnesium nitrate were examined as chemical modifiers. Oxalic acid was found to be the best modifier. Although an atomic absorption spectrometer with a background correction system of relatively low efficiency (deuterium lamp) was used, elements under study can be reliably determined in the presence of oxalic acid at concentrations of calcium chloride in the solution up to 6%. Because cadmium is evaporated before the major part of the given matrix, it can be determined without modifier

  15. Integrated polymer waveguides incorporating nonlinear chromophores for all-optical signal processing

    OpenAIRE

    Delcourt, Enguerran; Bodiou, Loïc; Charrier, Joël; Achelle, Sylvain; Lemaitre, Jonathan; Lorrain, Nathalie; Bosc, Dominique

    2014-01-01

    In order to obtain non-linear waveguides for all-optical signal processing, new nonlinear polymer waveguides incorporating chromophores have been designed and processed using standard photolithographic steps. Polymer refractive index changes with chromophore concentration are presented. Waveguides exhibiting single mode propagation and high optical field confinement are demonstrated and optical propagation losses of 4.1 dB/cm at 1550 nm are measured.

  16. Atomic absorption determination, in metal sulphide concentrates, of the elements that form gaseous hydrides

    International Nuclear Information System (INIS)

    An account is given of the investigational work on the determination of trace amounts of arsenic, antimony, bismuth, germanium, selenium, and tellurium by the technique using hydride generation and atomic-absorption spectrophotometry. The gaseous hydride is generated by reduction with sodium borohydride, and is subsequently swept by a flow of nitrogen into an air-entrained hydrogen-nitrogen flame. The generation equipment used is simple and inexpensive, and can be readily assembled in most laboratories. The optimum parameters were determined for each element. The effects of 31 probable interfering elements were investigated, and it was found that, although the majority did not interfere, severe interference was encountered when copper, nickel, and the noble metals were present. Methods for the elimination of copper and nickel were developed to allow the determination of arsenic, antimony, bismuth, selenium, and tellurium at the lower parts-per-million level in metal sulphide concentrates with an acceptable accuracy and precision. The determination of microgram amounts of germanium was found to be unsatisfactory

  17. Testing and optical modeling of novel concentrating solar receiver geometries to increase light trapping and effective solar absorptance

    Science.gov (United States)

    Yellowhair, Julius; Ho, Clifford K.; Ortega, Jesus D.; Christian, Joshua M.; Andraka, Charles E.

    2015-09-01

    Concentrating solar power receivers are comprised of panels of tubes arranged in a cylindrical or cubical shape on top of a tower. The tubes contain heat-transfer fluid that absorbs energy from the concentrated sunlight incident on the tubes. To increase the solar absorptance, black paint or a solar selective coating is applied to the surface of the tubes. However, these coatings degrade over time and must be reapplied, which reduces the system performance and increases costs. This paper presents an evaluation of novel receiver shapes and geometries that create a light-trapping effect, thereby increasing the effective solar absorptance and efficiency of the solar receiver. Several prototype shapes were fabricated from Inconel 718 and tested in Sandia's solar furnace at an irradiance of ~30 W/cm2. Photographic methods were used to capture the irradiance distribution on the receiver surfaces. The irradiance profiles were compared to results from raytracing models. The effective solar absorptance was also evaluated using the ray-tracing models. Results showed that relative to a flat plate, the new geometries could increase the effective solar absorptance from 86% to 92% for an intrinsic material absorptance of 86%, and from 60% to 73% for an intrinsic material absorptance of 60%.

  18. CO2 absorption/emission and aerodynamic effects of trees on the concentrations in a street canyon in Guangzhou, China

    International Nuclear Information System (INIS)

    In this paper, the effects of trees on CO2 concentrations in a street canyon in Guangzhou, China are examined by Computational Fluid Dynamics (CFD) simulations of the concentration distribution, taking into account both the CO2 absorption/emission and aerodynamic effects of trees. Simulation results show that, under a 2 m/s southerly prevailing wind condition, CO2 absorption by trees will reduce the CO2 concentration by around 2.5% in the daytime and at the same time the trees' resistance will increase the difference of CO2 concentrations in the street and at the inflow by 43%. As the traffic density increases to 50 vehicles/min, the effect of trees on the ambient CO2 concentration will change from positive to negative. At night, trees have a negative effect on the concentration in the street canyon mainly because of their resistance to airflow. When environmental wind changes, the effect of trees will be different. -- Highlights: ► The trees affect CO2 concentrations in a street canyon. ► Both the CO2 absorption and flow resistance of trees are significant factors by day. ► As the emissions of CO2 increase, the effect of trees will become negative. ► At night, trees have a negative effect on CO2 concentration due to the resistance. -- The effects of trees on CO2 concentrations in a street canyon are examined by CFD simulations, taking into account both the CO2 absorption/emission and aerodynamic effects of trees

  19. Determination of total sulfur concentrations in different types of vinegars using high resolution flame molecular absorption spectrometry.

    Science.gov (United States)

    Ozbek, Nil; Akman, Suleyman

    2016-12-15

    Total sulfur concentrations in vinegars were determined using molecular absorption of carbon monosulfide (CS) determined with a high-resolution continuum source flame atomic absorption spectrometer. The molecular absorption of CS was measured at 258.056nm in an air-acetylene flame. Due to non-spectral interference, as well as the different sensitivities to some sulfur compounds, all sulfur species were oxidized to sulfate using a HNO3 and H2O2 mixture and the analyte addition technique was applied for quantification. The limit of detection (LOD) and limit of quantification (LOQ) were 11.6 and 38.6mgL(-1), respectively. The concentrations of sulfur in various vinegars ranged from ⩽LOD to 163.6mgL(-1). PMID:27451213

  20. Revealing Brown Carbon Chromophores Produced in Reactions of Methylglyoxal with Ammonium Sulfate

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Peng; Laskin, Julia; Nizkorodov, Sergey A.; Laskin, Alexander

    2015-12-15

    Atmospheric brown carbon (BrC) is an important contributor to light absorption and climate forcing by aerosols. Reactions between small water-soluble carbonyls and ammonia or amines have been identified as one of the potential pathways of BrC formation. However, detailed chemical characterization of BrC chromophores has been challenging and their formation mechanisms are still poorly understood. Understanding BrC formation is impeded by the lack of suitable methods which can unravel the variability and complexity of BrC mixtures. This study applies high performance liquid chromatography (HPLC) coupled to photodiode array (PDA) detector and high resolution mass spectrometry (HRMS) to investigate optical properties and chemical composition of individual BrC components produced through reactions of methylglyoxal (MG) and ammonium sulfate (AS), both of which are abundant in the atmospheric environment. A direct relationship between optical properties and chemical composition of 30 major BrC chromophores was established. Nearly all of these chromophores are nitrogen-containing compounds that account for >70% of the overall light absorption by the MG+AS system in the 300-500 nm range. These results suggest that reduced-nitrogen organic compounds formed in reactions between atmospheric carbonyls and ammonia/amines are important BrC chromophores. It is also demonstrated that improved separation of BrC chromophores by HPLC will significantly advance understanding of BrC chemistry.

  1. Photophysics of organometallic platinum(II) derivatives of the diketopyrrolopyrrole chromophore

    KAUST Repository

    Goswami, Subhadip

    2014-12-18

    A pair of diketopyrrolopyrrole (DPP) chromophores that are end-functionalized with platinum containing "auxochromes" were subjected to electrochemical and photophysical study. The chromophores contain either platinum acetylide or ortho-metalated 2-thienylpyridinyl(platinum) end-groups (DPP-Pt(CC) and DPP-Pt(acac), respectively). The ground state redox potentials of the chromophores were determined by solution electrochemistry, and the HOMO and LUMO levels were estimated. The chromophores\\' photophysical properties were characterized by absorption, photoluminescence, and time-resolved absorption spectroscopy on time scales from sub-picoseconds to microseconds. Density functional theory (DFT) computations were performed to understand the molecular orbitals involved in both the singlet and triplet excited state photophysics. The results reveal that in both platinum DPP derivatives the organometallic auxochromes have a significant effect on the chromophores\\' photophysics. The most profound effect is a reduction in the fluorescence yields accompanied by enhanced triplet yields due to spin-orbit coupling induced by the metal centers. The effects are most pronounced in DPP-Pt(acac), indicating that the orthometalated platinum auxochrome is able to induce spin-orbital coupling to a greater extent compared to the platinum acetylide units. (Figure Presented).

  2. Molecular-level Insight into the Spectral Tuning Mechanism of the DsRed Chromophore

    DEFF Research Database (Denmark)

    List, Nanna Holmgaard; Olsen, Jógvan Magnus Haugaard; Jensen, Hans Jørgen Aagaard; Steindal, Arnfinn Hykkerud; Kongsted, Jacob

    2012-01-01

    We present a detailed study of the protein environmental effects on the one- and twophoton absorption (1PA and 2PA, respectively) properties of the S0-S1 transition in the DsRed protein using the polarizable embedding density functional theory formalism. We find that steric factors and chromophor...

  3. Modelling LiBr-H2O solution concentration/crystallization of low thermal-powered absorption air conditioning system

    International Nuclear Information System (INIS)

    A computer model is developed to predict the concentration of lithium bromide - water (LiBr-H2O) solution for used in low thermal energy-driven absorption air conditioning plants design. The computer program is capable to alert the users from undesirable solidification or crystallization zones. Good agreements between simulated concentration and experimental data from standard chart/table have been obtained. (Author)

  4. Two instruments based on differential optical absorption spectroscopy (DOAS) to measure accurate ammonia concentrations in the atmosphere

    OpenAIRE

    H. Volten; Bergwerff, J.B.; M. Haaima; Lolkema, D. E.; A. J. C. Berkhout; G. R. van der Hoff; C. J. M. Potma; R. J. Wichink Kruit; W. A. J. van Pul; D. P. J. Swart

    2011-01-01

    We present two Differential Optical Absorption Spectroscopy (DOAS) instruments built at RIVM: the RIVM DOAS and the miniDOAS. Both instruments provide virtually interference-free measurements of NH3 concentrations in the atmosphere, since they measure over an open path, without suffering from inlet problems or interference problems by ammonium aerosols dissociating on tubes or filters. They measure concentrations up to at least 200 μg m−3, have a ...

  5. Reconstruction of combustion temperature and gas concentration distributions using line-of-sight tunable diode laser absorption spectroscopy

    Science.gov (United States)

    Zhang, Zhirong; Sun, Pengshuai; Pang, Tao; Xia, Hua; Cui, Xiaojuan; Li, Zhe; Han, Luo; Wu, Bian; Wang, Yu; Sigrist, Markus W.; Dong, Fengzhong

    2016-07-01

    Spatial temperature and gas concentration distributions are crucial for combustion studies to characterize the combustion position and to evaluate the combustion regime and the released heat quantity. Optical computer tomography (CT) enables the reconstruction of temperature and gas concentration fields in a flame on the basis of line-of-sight tunable diode laser absorption spectroscopy (LOS-TDLAS). A pair of H2O absorption lines at wavelengths 1395.51 and 1395.69 nm is selected. Temperature and H2O concentration distributions for a flat flame furnace are calculated by superimposing two absorption peaks with a discrete algebraic iterative algorithm and a mathematical fitting algorithm. By comparison, direct absorption spectroscopy measurements agree well with the thermocouple measurements and yield a good correlation. The CT reconstruction data of different air-to-fuel ratio combustion conditions (incomplete combustion and full combustion) and three different types of burners (one, two, and three flat flame furnaces) demonstrate that TDLAS has the potential of short response time and enables real-time temperature and gas concentration distribution measurements for combustion diagnosis.

  6. Two instruments based on differential optical absorption spectroscopy (DOAS) to measure accurate ammonia concentrations in the atmosphere

    NARCIS (Netherlands)

    Volten, H.; Bergwerff, J.B.; Haaima, M.; Lolkema, D.E.; Berkhout, A.J.C.; Hoff, G.R.; Potma, C.J.M.; Wichink Kruit, R.J.; Pul, van W.A.J.; Swart, D.P.J.

    2012-01-01

    We present two Differential Optical Absorption Spectroscopy (DOAS) instruments built at RIVM: the RIVM DOAS and the miniDOAS. Both instruments provide virtually interference-free measurements of NH3 concentrations in the atmosphere, since they measure over an open path, without suffering from inlet

  7. Relationship between concentration and exposed area on absorption and excretion of T-2 mycotoxin through rabbit skin

    International Nuclear Information System (INIS)

    T-2 mycotoxin is a severe skin irritant that can be lethal via the dermal route. A non-occlusive barrier model was developed to study the effects of concentration and size of the exposed area on the absorption rate of toxin in rabbit skin. The skin was shaved and, twenty-four hours later, varying concentrations of both [4H]-labeled and unlabeled T0 toxin in DMSO were painted on the surface. A barrier, consisting of a mesh-jacketed, half-inch foam pad with a hole in the center, was applied to the skin. In order to assess absorption, lethality and excretion were used as endpoints, and dosage, area, and concentration (μ g/cm2) were varied. At doses of 5, 10, and 15 mg/kg of T-2 toxin in DMSO applied to a 200 cm2 area, lethality was 0 of 2, 6 of 11, and 6 of 6 rabbits, respectively. This suggests a direct dose-response relationship. However, at a dose of 10 mg/kg applied in a 100 cm2 area, there were no deaths in 4 rabbits. This indicates a lower rate of absorption at this higher concentration. The percentage of [3H]-toxin excreted was higher at lower doses of T-2 toxin and reduced at higher concentrations. The authors conclude that area, dose, and concentration of applied toxin can influence the amount of T-2 toxin that is absorbed through the skin

  8. Singlet fission: The chromophores and their coupling

    Czech Academy of Sciences Publication Activity Database

    Wen, Jin; Havlas, Zdeněk; Michl, Josef

    Santiago: -, 2014. IC119. [WATOC 2014. Congress of the World Association of Theoretical and Computational Chemists /10./. 05.10.2014-10.10.2014, Santiago] Institutional support: RVO:61388963 Keywords : singlet fission * chromophores * coupling Subject RIV: CF - Physical ; Theoretical Chemistry

  9. Photochemical degradation of chromophoric-dissolved organic matter exposed to simulated UV-B and natural solar radiation

    NARCIS (Netherlands)

    Zhang, Y.; Liu, M.; Qin, B.; Feng, S.

    2009-01-01

    Photochemical degradation of chromophoric-dissolved organic matter (CDOM) by UV-B radiation decreases CDOM absorption in the UV region and fluorescence intensity, and alters CDOM composition. CDOM absorption, fluorescence, and the spectral slope indicating the CDOM composition were studied using 0.2

  10. Influence if acidity and concentration of aqueous uranyl nitrate solutions on the efficiency of uranium absorption by hydrolytic wood lignin

    International Nuclear Information System (INIS)

    Efficiency of uranium(VI) absorption by hydrolytic wood lignin from uranyl nitrate aqueous solutions under static conditions at room temperature, depending on solution acidity and uranium concentration, was studied using the methods of elementary analysis and IR spectroscopy. It was ascertained that hydrolytic lignin manifests a high ability to strong uranium(VI) absorption from low-acid and alkaline solutions. Interaction of uranium(VI) and hydrolytic lignin occurs both according to ion exchange mechanism and at the expense of donor-acceptor bonds formation

  11. Preparation and optical characteristics of layered perovskite-type lead-bromide-incorporated azobenzene chromophores

    Energy Technology Data Exchange (ETDEWEB)

    Sasai, Ryo, E-mail: rsasai@riko.shimane-u.ac.jp [Department of Applied Chemistry, Graduate School of Engineering, Nagoya University, F3-3(250), Furo-cho, Chikusa-ku, Nagoya 464-8603 (Japan); Shinomura, Hisashi [Department of Applied Chemistry, Graduate School of Engineering, Nagoya University, F3-3(250), Furo-cho, Chikusa-ku, Nagoya 464-8603 (Japan)

    2013-02-15

    Lead bromide-based layered perovskite powders with azobenzene derivatives were prepared by a homogeneous precipitation method. From the diffuse reflectance (DR) and photoluminescence (PL) spectra of the hybrid powder materials, the present hybrids exhibited sharp absorption and PL peaks originating from excitons produced in the PbBr{sub 4}{sup 2-} layer. When the present hybrid powder was irradiated with UV light at 350 nm, the absorption band from the trans-azobenzene chromophore, observed around 350 nm, decreased, while the absorption band from the cis-azobenzene chromophore, observed around 450 nm, increased. These results indicate that azobenzene chromophores in the present hybrid materials exhibit reversible photoisomerization. Moreover, it was found that the PL intensity from the exciton also varied due to photoisomerization of the azobenzene chromophores in the present hybrid. Thus, for the first time we succeeded in preparing the azobenzene derivative lead-bromide-based layered perovskite with photochromism before and after UV light irradiation. - Graphical abstract: For the first time, we succeeded in preparing the azobenzene derivative lead-bromide-based layered perovskite with photochromism before and after UV light irradiation. Highlights: Black-Right-Pointing-Pointer PbBr-based layered perovskite with azobenezene derivatives could be synthesized by a homogeneous precipitation method. Black-Right-Pointing-Pointer Azobenzene derivatives incorporated the present hybrid that exhibited reversible photoisomerization under UV and/or visible light irradiation. Black-Right-Pointing-Pointer PL property of the present hybrid could also be varied by photoisomerization.

  12. Preparation and optical characteristics of layered perovskite-type lead-bromide-incorporated azobenzene chromophores

    International Nuclear Information System (INIS)

    Lead bromide-based layered perovskite powders with azobenzene derivatives were prepared by a homogeneous precipitation method. From the diffuse reflectance (DR) and photoluminescence (PL) spectra of the hybrid powder materials, the present hybrids exhibited sharp absorption and PL peaks originating from excitons produced in the PbBr42− layer. When the present hybrid powder was irradiated with UV light at 350 nm, the absorption band from the trans-azobenzene chromophore, observed around 350 nm, decreased, while the absorption band from the cis-azobenzene chromophore, observed around 450 nm, increased. These results indicate that azobenzene chromophores in the present hybrid materials exhibit reversible photoisomerization. Moreover, it was found that the PL intensity from the exciton also varied due to photoisomerization of the azobenzene chromophores in the present hybrid. Thus, for the first time we succeeded in preparing the azobenzene derivative lead-bromide-based layered perovskite with photochromism before and after UV light irradiation. - Graphical abstract: For the first time, we succeeded in preparing the azobenzene derivative lead-bromide-based layered perovskite with photochromism before and after UV light irradiation. Highlights: ► PbBr-based layered perovskite with azobenezene derivatives could be synthesized by a homogeneous precipitation method. ► Azobenzene derivatives incorporated the present hybrid that exhibited reversible photoisomerization under UV and/or visible light irradiation. ► PL property of the present hybrid could also be varied by photoisomerization.

  13. Removal of high concentration CO2 from natural gas at elevated pressure via absorption process in packed column

    Institute of Scientific and Technical Information of China (English)

    L.S.Tan; K.K.Lau; M.A.Bustam; A.M.Shariff

    2012-01-01

    Carbon dioxide (CO2) removal is an essential step in natural gas (NG) processing to provide high quality gas stream products and minimize operational difficulties.This preliminary study aims to investigate the removal of CO2 at high concentration level from the mixture of CO2-NG gas stream at elevated pressure via absorption process.This is to explore the possibility of exploring high CO2 content natural gas reserves by treatment at offshore platform.A mixed amine solvent,Stonvent-Ⅱ,was used for the absorption of approximately 75 vol% CO2 in CO2-NG stream at a pressure of 10 barg.The initial solvent temperature was varied in order to study the impact of initial temperature on the absorption performance.Preliminary study at temperatures of 35 ℃ and 45 ℃ indicates that Stonvent-Ⅱ was able to perform almost 100% removal of CO2 under both conditions.However,the CO2 absorption effect took place faster when the initial liquid temperature was lower.This is because when the initial liquid temperature is high,the temperature increase in the packing bed caused by the reaction heat is high which impacts the efficiency of absorption negatively.

  14. Synthesis and electrocatalytic water oxidation by electrode-bound helical peptide chromophore-catalyst assemblies.

    Science.gov (United States)

    Ryan, Derek M; Coggins, Michael K; Concepcion, Javier J; Ashford, Dennis L; Fang, Zhen; Alibabaei, Leila; Ma, Da; Meyer, Thomas J; Waters, Marcey L

    2014-08-01

    Artificial photosynthesis based on dye-sensitized photoelectrosynthesis cells requires the assembly of a chromophore and catalyst in close proximity on the surface of a transparent, high band gap oxide semiconductor for integrated light absorption and catalysis. While there are a number of approaches to assemble mixtures of chromophores and catalysts on a surface for use in artificial photosynthesis based on dye-sensitized photoelectrosynthesis cells, the synthesis of discrete surface-bound chromophore-catalyst conjugates is a challenging task with few examples to date. Herein, a versatile synthetic approach and electrochemical characterization of a series of oligoproline-based light-harvesting chromophore-water-oxidation catalyst assemblies is described. This approach combines solid-phase peptide synthesis for systematic variation of the backbone, copper(I)-catalyzed azide-alkyne cycloaddition (CuAAC) as an orthogonal approach to install the chromophore, and assembly of the water-oxidation catalyst in the final step. Importantly, the catalyst was found to be incompatible with the conditions both for amide bond formation and for the CuAAC reaction. The modular nature of the synthesis with late-stage assembly of the catalyst allows for systematic variation in the spatial arrangement of light-harvesting chromophore and water-oxidation catalyst and the role of intrastrand distance on chromophore-catalyst assembly properties. Controlled potential electrolysis experiments verified that the surface-bound assemblies function as water-oxidation electrocatalysts, and electrochemical kinetics data demonstrate that the assemblies exhibit greater than 10-fold rate enhancements compared to the homogeneous catalyst alone. PMID:25046035

  15. Investigation of linear optical absorption coefficients in core-shell quantum dot (QD) luminescent solar concentrators (LSCs)

    Science.gov (United States)

    Ebrahimipour, Bahareh Alsadat; Askari, Hassan Ranjbar; Ramezani, Ali Behjat

    2016-09-01

    The interlevel absorption coefficient of CdSe/ZnS and ZnS/CdSe core-shell Quantum Dot (QD) in luminescent solar concentrators (LSCs) is reported. By considering the quantum confinement effects, the wave functions and eigenenergies of electrons in the nonperturebative system consists of a core-shell QD have been numerically calculated under the frame work of effective-mass approximation by solving a three-dimensional Schrӧdinger equation. And then the absorption coefficient is obtained under density matrix approximation considering in the polymer sheets of the concentrator including the core-shell QDs. The effect of the hetero-structure geometry upon the energy spectrum and absorption coefficient associated to interlevel transitions was also considered. The results show that the core-shell QDs can absorb the photons with higher energy in solar spectrum as compared to the inverted core-shell. And with a small shell layer diameter, the core-shell QDs produce larger linear absorption coefficients and consequently higher efficiency values, however it is inversed for inverted core-shell QDs. The work described here gives a detailed insight into the promise of QD-based LSCs and the optoelectronic devices applications.

  16. Measurement of chromophores density using high Q-factor silica microspheres

    Science.gov (United States)

    Kandas, Ishac; Shehata, Nader; Daengngam, Chalongrat; Ashry, Islam; Xu, Yong

    2016-01-01

    This work investigates the relationship between the Q factor of a silica microsphere coated with nonlinear optical molecules and the surface density of the nonlinear molecules. Two types of nonlinear molecules are studied: poly{1-[p-(3‧-carboxy-4‧-hydroxyphenylazo) benzenesulfonamido]-1,2-ethandiyl} (PCBS), and Procion Brown MX-GRN (PB). In our experiments, we coat silica microspheres with ionic self-assembled multilayer films with different thicknesses as well as with different PCBS/PB chromophores densities. The Q factors of the coated microspheres are measured to be within the range of 106 to 107, which can be attributed to the optical absorption of the coated chromophores. This work can be used to experimentally determine the effective density of chromophores assembled on the silica microsphere. It may also find applications in chemical/biological sensing.

  17. The terminal phycobilisome emitter, LCM: A light-harvesting pigment with a phytochrome chromophore.

    Science.gov (United States)

    Tang, Kun; Ding, Wen-Long; Höppner, Astrid; Zhao, Cheng; Zhang, Lun; Hontani, Yusaku; Kennis, John T M; Gärtner, Wolfgang; Scheer, Hugo; Zhou, Ming; Zhao, Kai-Hong

    2015-12-29

    Photosynthesis relies on energy transfer from light-harvesting complexes to reaction centers. Phycobilisomes, the light-harvesting antennas in cyanobacteria and red algae, attach to the membrane via the multidomain core-membrane linker, LCM. The chromophore domain of LCM forms a bottleneck for funneling the harvested energy either productively to reaction centers or, in case of light overload, to quenchers like orange carotenoid protein (OCP) that prevent photodamage. The crystal structure of the solubly modified chromophore domain from Nostoc sp. PCC7120 was resolved at 2.2 Å. Although its protein fold is similar to the protein folds of phycobiliproteins, the phycocyanobilin (PCB) chromophore adopts ZZZssa geometry, which is unknown among phycobiliproteins but characteristic for sensory photoreceptors (phytochromes and cyanobacteriochromes). However, chromophore photoisomerization is inhibited in LCM by tight packing. The ZZZssa geometry of the chromophore and π-π stacking with a neighboring Trp account for the functionally relevant extreme spectral red shift of LCM. Exciton coupling is excluded by the large distance between two PCBs in a homodimer and by preservation of the spectral features in monomers. The structure also indicates a distinct flexibility that could be involved in quenching. The conclusions from the crystal structure are supported by femtosecond transient absorption spectra in solution. PMID:26669441

  18. Comparison of Nitric Oxide Concentrations in μs- and ns-Atmospheric Pressure Plasmas by UV Absorption Spectroscopy

    Science.gov (United States)

    Peters, F.; Hirschberg, J.; Mertens, N.; Wieneke, S.; Viöl, W.

    2016-04-01

    In this paper, an absorption spectroscopy measurement method was applied on two atmospheric pressure plasma sources to determine their production of nitric oxide. The concentrations are essential for evaluating the plasma sources based on the principle of the Dielectric Barrier Discharge (DBD) for applications in plasma medicine. The described method is based on a setup with an electrodeless discharge lamp filled with a mixture of oxygen and nitrogen. One of the emitted wavelengths is an important resonance wavelength of nitric oxide (λ = 226.2 nm). By comparing the absorption behaviour at the minimum and maximum of the spectral absorption cross section of nitric oxide around that wavelength, and measuring the change in intensity by the absorbing plasma, the concentration of nitric oxide inside the plasma can be calculated. The produced nitric oxide concentrations depend on the pulse duration and are in the range of 180 ppm to 1400 ppm, so that a distance of about 10cm to the respiratory tract is enough to conform to the VDI Guideline 2310.

  19. Synthesis and physicochemical characterization of copolymers of 3-octylthiophene and thiophene functionalized with azo chromophore

    Energy Technology Data Exchange (ETDEWEB)

    Nicho, M.E., E-mail: menicho@uaem.mx [Centro de Investigacion en Ingenieria y Ciencias Aplicadas, Universidad Autonoma del Estado de Morelos (UAEM), Av. Universidad 1001, Col. Chamilpa, C.P. 62209, Cuernavaca, Morelos (Mexico); Garcia-Carvajal, S.; Marquez-Aguilar, P.A.; Gueizado-Rodriguez, M. [Centro de Investigacion en Ingenieria y Ciencias Aplicadas, Universidad Autonoma del Estado de Morelos (UAEM), Av. Universidad 1001, Col. Chamilpa, C.P. 62209, Cuernavaca, Morelos (Mexico); Escalante-Garcia, J. [Centro de Investigaciones Quimicas, UAEM, C.P. 62210, Cuernavaca, Morelos (Mexico); Medrano-Baca, G. [Centro de Investigacion en Ingenieria y Ciencias Aplicadas, Universidad Autonoma del Estado de Morelos (UAEM), Av. Universidad 1001, Col. Chamilpa, C.P. 62209, Cuernavaca, Morelos (Mexico)

    2011-10-03

    Highlights: {yields} Azo chromophore in the copolymer showed an additional color to the P3OT. {yields} Non-linear optical properties by Z-scan technique in states: neutral and oxidized. {yields} The copolymers showed a change of non-linearity sign when the films were doped. {yields} We determined that the nonlinearity of the polymer films was a Kerr type. {yields} This study is the first report of NLO characterization of this material. - Abstract: Polythiophene derivatives with azo chromophore were synthesized via copolymerization of 3-octylthiophene (3OT) and 2-[N-ethyl-N-[4-[(4-nitrophenyl)azo]phenyl]amino]ethyl 3-thienylacetate (3-DRT). This copolymer has interesting optoelectronic properties and a variety of applications such as electrochromic and electronic devices. The polymerization process of 3OT and the functionalized thiophene was carried out via FeCl{sub 3} oxidative polymerization. Thin films of poly(3OT-co-3-DRT) copolymer were prepared by spin-coating technique from toluene. FTIR and {sup 1}H NMR spectroscopy revealed the presence of chromophore groups in the copolymer chain. Molecular weight and polydispersity of the polymers were measured by size exclusion chromatography. Changes in the surface topography of copolymers were analyzed by atomic force microscopy; the results showed that the copolymers presented some protuberances of variable size unlike the homogeneous granular morphology of P3OT. It is believed that these changes appeared by the incorporation of 3-DRT in the polymer. P3ATs are electrochromic materials that show color change upon oxidation-reduction process. We report that electrochemical characterization of poly(3OT-co-3-DRT) copolymer films synthesized chemically on indium-tin oxide (ITO) glass substrates showed an additional color to the P3OT homopolymer. Optical absorption properties of the polymer films were analyzed in the undoped and doped states and as a function of 3-DRT concentration in the copolymer. The nonlinear optical

  20. Synthesis and physicochemical characterization of copolymers of 3-octylthiophene and thiophene functionalized with azo chromophore

    International Nuclear Information System (INIS)

    Highlights: → Azo chromophore in the copolymer showed an additional color to the P3OT. → Non-linear optical properties by Z-scan technique in states: neutral and oxidized. → The copolymers showed a change of non-linearity sign when the films were doped. → We determined that the nonlinearity of the polymer films was a Kerr type. → This study is the first report of NLO characterization of this material. - Abstract: Polythiophene derivatives with azo chromophore were synthesized via copolymerization of 3-octylthiophene (3OT) and 2-[N-ethyl-N-[4-[(4-nitrophenyl)azo]phenyl]amino]ethyl 3-thienylacetate (3-DRT). This copolymer has interesting optoelectronic properties and a variety of applications such as electrochromic and electronic devices. The polymerization process of 3OT and the functionalized thiophene was carried out via FeCl3 oxidative polymerization. Thin films of poly(3OT-co-3-DRT) copolymer were prepared by spin-coating technique from toluene. FTIR and 1H NMR spectroscopy revealed the presence of chromophore groups in the copolymer chain. Molecular weight and polydispersity of the polymers were measured by size exclusion chromatography. Changes in the surface topography of copolymers were analyzed by atomic force microscopy; the results showed that the copolymers presented some protuberances of variable size unlike the homogeneous granular morphology of P3OT. It is believed that these changes appeared by the incorporation of 3-DRT in the polymer. P3ATs are electrochromic materials that show color change upon oxidation-reduction process. We report that electrochemical characterization of poly(3OT-co-3-DRT) copolymer films synthesized chemically on indium-tin oxide (ITO) glass substrates showed an additional color to the P3OT homopolymer. Optical absorption properties of the polymer films were analyzed in the undoped and doped states and as a function of 3-DRT concentration in the copolymer. The nonlinear optical properties of the copolymers in the

  1. Synthesis and optical properties of a crosslinkable polymer system containing TCF and TCP chromophores with excellent electro-optic activity and thermal stability

    Science.gov (United States)

    Chen, Zhuo; Bo, Shuhui; Zhen, Zhen; Liu, Xinhou

    2012-10-01

    Crosslinkable polymer with side-chain system was investigated to increase the content of NLO chromophores and improve the stability of oriented chromophores. In this work, a series of crosslinkable copolymers which beared different concentrations of chromophores with the tricyanofurane (TCF) acceptor and a kind of crosslinkable copolymers beared chromophores with dendritic tricyanopyrroline (TCP) acceptor were successfully synthesized and characterized. The crosslinked EO polymers which beared chromophores with the tricyanofurane (TCF) acceptor revealed the highest EO coefficient (r33) of 47.0 pm/V at 1310 nm, which was similar with the r33 of uncrosslinked systems. Compared to the uncrosslinked EO polymer systems, the crosslinked ones exhibited significantly enhanced temporal stability. Keywords: Nonlinear optics; Crosslinkable system; Chromophore-containing copolymers; Side-chain; Crosslinking reaction; Thermally stable polymer

  2. Mapping chemical concentration in binary thin organic films via multi-wavelength scanning absorption microscopy (MWSAM)

    International Nuclear Information System (INIS)

    The composition and thickness of binary thin organic films is determined by measuring the optical absorption at multiple wavelengths across the film surface and performing a component analysis fit to absorption standards for the materials. The multiple laser wavelengths are focused onto the surface using microscope objectives and raster scanned across the film surface using a piezo-electric actuator X–Y stage. All of the wavelengths are scanned simultaneously with a frequency division multiplexing system used to separate the individual wavelength response. The composition values are in good quantitative agreement with measurements obtained by scanning transmission x-ray microscopy (STXM). This new characterization technique extends quantitative compositional mapping of thin films to thickness regimes beyond that accessible by STXM. (paper)

  3. In Situ Measurements of Aerosol Mass Concentration and Spectral Absorption at Three Location in and Around Mexico City

    Science.gov (United States)

    Chaudhry, Z.; Martins, V.; Li, Z.

    2006-12-01

    As a result of population growth and increasing industrialization, air pollution in heavily populated urban areas is one of the central environmental problems of the century. As a part of the MILAGRO (Megacity Initiative: Local and Global Research Observations) study, Nuclepore filters were collected in two size ranges (PM10 and PM2.5) at 12 hour intervals at three location in Mexico during March, 2006. Sampling stations were located at the Instituto Mexicano del Petroleo (T0), at the Rancho La Bisnago in the State of Hidalgo (T2) and along the Gulf Coast in Tampico (Tam). Each filter was analyzed for mass concentration, aerosol scattering and absorption efficiencies. Mass concentrations at T0 ranged from 47 to 179 μg/m3 for PM10 with an average concentration of 96 μg/m3, and from 20 to 93 μg/m3 for PM2.5 with an average concentration of 41 μg/m3. Mass concentrations at T2 ranged from 12 to 154 μg/m3 for PM10 with an average concentration of 51 μg/m3, and from 7 to 50 μg/m3 for PM2.5 with an average concentration of 25 μg/m3. Mass concentrations at Tam ranged from 34 to 80 μg/m3 for PM10 with an average concentration of 52 μg/m3, and from 8 to 23 μg/m3 for PM2.5 with an average concentration of 13 μg/m3. While some of the extreme values are likely linked to local emissions, regional air pollution episodes also played important roles. Each of the sampling stations experienced a unique atmospheric condition. The site at T0 was influenced by urban air pollution and dust storms, the site at T2 was significantly less affected by air pollution but more affected by regional dust storms and local dust devils while Tam was influenced by air pollution, dust storms and the natural marine environment. The spectral mass absorption efficiency was measured from 350 to 2500 nm and shows large differences between the absorption properties of soil dust, black carbon, and organic aerosols. The strong spectral differences observed can be related to differences in

  4. [Ammonia gas concentration and velocity measurement using tunable diode laser absorption spectroscopy and optical signal cross-correlation method].

    Science.gov (United States)

    Zhang, Chun-Xiao; Wang, Fei; Li, Ning; Yan, Jian-Hua; Chi, Yong; Cen, Ke-Fa

    2009-10-01

    Simultaneous online measurement of gas concentration and velocity can be realized by tunable diode laser absorption spectroscopy (TDLAS) technique and optical signal cross-correlation method. The fundamental and relative factors of gas concentration and velocity measurement are described in the present paper. The spectral lines of NH3 used for gas sensing at communication band in near infrared range were selected and analyzed by the calculation based on the HITRAN database. In the verification experiment, NH3 and N2 were mixed by two mass flow meters and sent to flow through the quartz tube 0. 016 m in inner diameter and 1 m in length at normal temperature and pressure. The spectral line located at 6,548.7 cm(-1) was scanned at high frequency by the diode laser of 15 MHz linewidth and 1 cm' tunable range with no mode hoppings. The instantaneous NH3 absorbance was obtained using direct absorption method and the gas concentration was calculated. At the same time, the non-intrusive optical absorption signal cross-correlation method was utilized to obtain two concentration signals from two adjacent detectors mounted along the gas tube. The corresponding transit time of gas passing through the detectors was calculated by cross-correlation algorithm, and the average gas velocity was inferred according to the distance between the two detectors and the transit time. The relative errors were less than 7% for the gas concentration measurement, and less than 10% for the gas velocity measurement. Experimental results were proved to be of high precision and good repeatability in the lab. The feature of fast response and capacity immune to the in situ disturbance would lead to a potential in industry application for the real time measurement and control of gas pollutant emission in the future. PMID:20038016

  5. Dissolved organic carbon and chromophoric dissolved organic matter properties of rivers in the USA

    Science.gov (United States)

    Spencer, Robert G.M.; Butler, Kenna D.; Aiken, George R.

    2012-01-01

    Dissolved organic carbon (DOC) concentration and chromophoric dissolved organic matter (CDOM) parameters were measured over a range of discharge in 30 U.S. rivers, covering a diverse assortment of fluvial ecosystems in terms of watershed size and landscape drained. Relationships between CDOM absorption at a range of wavelengths (a254, a350, a440) and DOC in the 30 watersheds were found to correlate strongly and positively for the majority of U.S. rivers. However, four rivers (Colorado, Colombia, Rio Grande and St. Lawrence) exhibited statistically weak relationships between CDOM absorption and DOC. These four rivers are atypical, as they either drain from the Great Lakes or experience significant impoundment of water within their watersheds, and they exhibited values for dissolved organic matter (DOM) parameters indicative of autochthonous or anthropogenic sources or photochemically degraded allochthonous DOM and thus a decoupling between CDOM and DOC. CDOM quality parameters in the 30 rivers were found to be strongly correlated to DOM compositional metrics derived via XAD fractionation, highlighting the potential for examining DOM biochemical quality from CDOM measurements. This study establishes the ability to derive DOC concentration from CDOM absorption for the majority of U.S. rivers, describes characteristics of riverine systems where such an approach is not valid, and emphasizes the possibility of examining DOM composition and thus biogeochemical function via CDOM parameters. Therefore, the usefulness of CDOM measurements, both laboratory-based analyses and in situ instrumentation, for improving spatial and temporal resolution of DOC fluxes and DOM dynamics in future studies is considerable in a range of biogeochemical studies.

  6. Dissolved organic carbon and chromophoric dissolved organic matter properties of rivers in the USA

    Science.gov (United States)

    Spencer, Robert G. M.; Butler, Kenna D.; Aiken, George R.

    2012-09-01

    Dissolved organic carbon (DOC) concentration and chromophoric dissolved organic matter (CDOM) parameters were measured over a range of discharge in 30 U.S. rivers, covering a diverse assortment of fluvial ecosystems in terms of watershed size and landscape drained. Relationships between CDOM absorption at a range of wavelengths (a254, a350, a440) and DOC in the 30 watersheds were found to correlate strongly and positively for the majority of U.S. rivers. However, four rivers (Colorado, Colombia, Rio Grande and St. Lawrence) exhibited statistically weak relationships between CDOM absorption and DOC. These four rivers are atypical, as they either drain from the Great Lakes or experience significant impoundment of water within their watersheds, and they exhibited values for dissolved organic matter (DOM) parameters indicative of autochthonous or anthropogenic sources or photochemically degraded allochthonous DOM and thus a decoupling between CDOM and DOC. CDOM quality parameters in the 30 rivers were found to be strongly correlated to DOM compositional metrics derived via XAD fractionation, highlighting the potential for examining DOM biochemical quality from CDOM measurements. This study establishes the ability to derive DOC concentration from CDOM absorption for the majority of U.S. rivers, describes characteristics of riverine systems where such an approach is not valid, and emphasizes the possibility of examining DOM composition and thus biogeochemical function via CDOM parameters. Therefore, the usefulness of CDOM measurements, both laboratory-based analyses and in situ instrumentation, for improving spatial and temporal resolution of DOC fluxes and DOM dynamics in future studies is considerable in a range of biogeochemical studies.

  7. Propene concentration sensing for combustion gases using quantum-cascade laser absorption near 11 μm

    KAUST Repository

    Chrystie, Robin

    2015-05-29

    We report on a strategy to measure, in situ, the concentration of propene (C3H6) in combustion gases using laser absorption spectroscopy. Pyrolysis of n-butane was conducted in a shock tube, in which the resultant gases were probed using an extended cavity quantum-cascade laser. A differential absorption approach using online and offline wavelengths near λ = 10.9 μm enabled discrimination of propene, cancelling the effects of spectral interference from the simultaneous presence of intermediate hydrocarbon species during combustion. Such interference-free measurements were facilitated by exploiting the =C–H bending mode characteristic to alkenes (olefins). It was confirmed, for intermediate species present during pyrolysis of n-butane, that their absorption cross sections were the same magnitude for both online and offline wavelengths. Hence, this allowed time profiles of propene concentration to be measured during pyrolysis of n-butane in a shock tube. Time profiles of propene subsequent to a passing shock wave exhibit trends similar to that predicted by the well-established JetSurF 1.0 chemical kinetic mechanism, albeit lower by a factor of two. Such a laser diagnostic is a first step to experimentally determining propene in real time with sufficient time resolution, thus aiding the refinement and development of chemical kinetic models for combustion. © 2015 Springer-Verlag Berlin Heidelberg

  8. Propene concentration sensing for combustion gases using quantum-cascade laser absorption near 11 μm

    Science.gov (United States)

    Chrystie, Robin S. M.; Nasir, Ehson F.; Farooq, Aamir

    2015-08-01

    We report on a strategy to measure, in situ, the concentration of propene (C3H6) in combustion gases using laser absorption spectroscopy. Pyrolysis of n-butane was conducted in a shock tube, in which the resultant gases were probed using an extended cavity quantum-cascade laser. A differential absorption approach using online and offline wavelengths near λ = 10.9 μm enabled discrimination of propene, cancelling the effects of spectral interference from the simultaneous presence of intermediate hydrocarbon species during combustion. Such interference-free measurements were facilitated by exploiting the =C-H bending mode characteristic to alkenes (olefins). It was confirmed, for intermediate species present during pyrolysis of n-butane, that their absorption cross sections were the same magnitude for both online and offline wavelengths. Hence, this allowed time profiles of propene concentration to be measured during pyrolysis of n-butane in a shock tube. Time profiles of propene subsequent to a passing shock wave exhibit trends similar to that predicted by the well-established JetSurF 1.0 chemical kinetic mechanism, albeit lower by a factor of two. Such a laser diagnostic is a first step to experimentally determining propene in real time with sufficient time resolution, thus aiding the refinement and development of chemical kinetic models for combustion.

  9. Chromophoric disorder in conjugated polymers: the cursious case of P3HT

    Science.gov (United States)

    Simine, Lena; Rossky, Peter

    The origin of the broad absorption spectrum of conjugated polymers is discussed. Motivated by the open questions posed in the recent experimental literature, we investigate theoretically the chromophoric disorder in single molecule poly(3­hexyl)thiophene (P3HT) at the atomic level using quantum­classical simulations. We reproduce the absorption spectrum and confirm qualitatively the prediction of simplified models ­ the localization length of the first excited state decreases with increasing temperature. Counter to expectation, the same trend is observed for the the average energy of the chromophore: in spite of a shorter localization length, the spectrum of the hot chromophore is red­shifted with respect to its cold counterpart. We trace this peculiarity to the anharmonicity of the underlying torsional potential which allows preferential access to more planar inter­ring conformations at high temperature. The contributions of bending to the transitional energies, the origi n of inhomogeneous broadening and the possibility of classification of the chromophore as planar/twisted/bent atlow and high temperatures are discussed.

  10. A measurement plan of gas concentration and temperature distribution reconstruction based on the tunable diode laser absorption tomography

    Science.gov (United States)

    Liu, Zhao-ran; Jin, Xing; Wang, Guang-yu; Song, Jun-ling

    2014-11-01

    Based on the tunable diode laser absorption tomography, gas concentration and temperature two-dimensional distribution reconstruction is realized using algebraic iterative reconstruction technique (ART). A measurement plan is proposed based on the beam splitting lens, and the corresponding beam arrangement is put forward. The beam splitting lenses are used in the plan to making one laser beam cross the measurement area repeatedly. Thus can raise the utilization ratio of laser beam and simplify the structure of measurement platform. A model for H2O vapor concentration and temperature distribution is assumed, and numerical simulation is utilized using two absorption transitions. The feasibility of the measurement plan is proved by the simulation experiment. The influences of initial beam angle, the number of beams and grids on the reconstructed results are analyzed numerically. A concept of phantom description method using in simulation experiments is proposed in order to getting closer to the real experiments. The phantom description method is used in the numerical simulation to evaluating concentration and temperature field reconstruction. Through this method, expected data is sampled from initial data, and reconstructed result is obtained by interpolation. The influence of random errors in projections on distribution reconstruction is also analyzed. The measurement plan can reconstruct the gas concentration and temperature distribution with a simplified measurement platform using beam splitting lenses. The feasibility of the phantom description method is also proved by the simulation experiment.

  11. Detection Limit of Glucose Concentration with Near-Infrared Absorption and Scattering Spectroscopy

    Institute of Scientific and Technical Information of China (English)

    LUO Yun-Han; HUANG Fu-Rong; LI Shi-Ping; CHEN Zhe

    2008-01-01

    @@ Theoretical analyses and Monte Carlo simulation are performed to investigate the detection limit of glucose concentration with near-infrared spectroscopy.The relation between detection limitation of glucose concentration and source-detector separation is derived.Monte Carlo simulation performed with a skin-layered model shows that the ratio of effective photons from the target layer could excess 50% by selecting proper source-detector separation,and that the detection limit of glucose concentration approaches to 0.28mM,which satisfies the requirement of food and drug administration for noninvasive glucose sensing.

  12. A method for segregating the optical absorption properties and the mass concentration of winter time urban aerosol

    Science.gov (United States)

    Ajtai, T.; Utry, N.; Pintér, M.; Major, B.; Bozóki, Z.; Szabó, G.

    2015-12-01

    A novel in-situ, real time method for the determination of inherent absorption properties of light absorbing carbonaceous particulate matter and its possible application for source apportionment are introduced here. The method is deduced from a two-week campaign under wintry urban conditions during which strong correlation was found between aerosol number size distribution and wavelength dependent optical absorption coefficient (AOC(λ)), measured by a Single Mobility Particle Sizer (SMPS) and a multi-wavelength photoacoustic absorption spectrometer, respectively, while wood burning and traffic (i.e. fossil fuel burning) activity were identified to be the dominant sources of carbonaceous particulate. Indeed, during the whole campaign, regardless of the actual emission strength of the aerosol sources, the measured number size distributions were always dominated by two unimodal modes with Count Mean Diameter (CMD) of 20 and 100 nm, which could be correlated to traffic and wood burning activities, respectively. AAEff, AAEwb (i.e. the Aerosol Angström Exponent of traffic and wood burning aerosol, respectively), σff(266 nm), σff(1064 nm), σwb(266 nm) and σff(1064 nm) (i.e. the segregated mass specific optical absorption coefficients at two of the measurement wavelengths) were found to be 1.17 ± 0.18, 2.6 ± 0.14, 7.3 ± 0.3 m2g-1, 1.7 ± 0.1 m2g-1 3.4 ± 0.3 m2g-1 and 0.31 ± 0.08 m2g-1, respectively. Furthermore the introduced methodology can also disentangle and quantify the temporal variation of both the segregated optical absorptions and the segregated mass concentrations of traffic and wood burning aerosol. Accordingly, the contribution of wood burning to optical absorption of PM was found to be negligible at 1064 nm but increased gradually towards the shorter wavelengths and became commensurable with the optical absorption of traffic at 266 nm during the whole measurement period. Furthermore, the contribution of wood burning mass to CM (mass of carbonaceous

  13. Rate-equation model for quantitative concentration measurements in flames with picosecond pump-probe absorption spectroscopy.

    Science.gov (United States)

    Fiechtner, G J; King, G B; Laurendeau, N M

    1995-02-20

    Measurement of radical concentrations is important in understanding the chemical kinetics involved in combustion. Application of optical techniques allows for the nonintrusive determination of specific radical concentrations. One of the most challenging problems for investigators is to obtain flame data that are independent of the collisional environment. We seek to obviate this difficulty by the use of picosecond pump-probe absorption spectroscopy. A picosecond pump-probe absorption model is developed by rate-equation analysis. Implications are discussed for a laser-pulse width that is much smaller than the excited-state lifetime of the absorbing atom or molecule. The possibility of quantitative, quenching-independent concentration measurements is discussed, and detection limits for atomic sodium and the hydroxyl radical are estimated. For a three-level absorber-emitter, the model leads to a novel pump-probe strategy, called dual-beam asynchronous optical sampling, that can be used to obtain both the electronic quenching-rate coefficient and the doublet mixing-rate coefficient during a single measurement. We discuss the successful demonstration of the technique in a companion paper [Appl. Opt. 34, XXX (1995)]. PMID:21037640

  14. Cadmium absorption and growth of various plant species as influenced by solution cadmium concentration

    Energy Technology Data Exchange (ETDEWEB)

    Page, A.L.; Bingham, F.T.; Nelson, C.

    1972-01-01

    Solution culture techniques were used to study the response of corn, turnips, beets, beans, tomatoes, cabbage, lettuce, green peppers, and barley to Cd levels in solution in the range of 0.1 to 10 ..mu..g/ml. Tolerance of the plants to Cd varied. Growth of beets, beans, and turnips was reduced by 50% at Cd solution concentrations of 0.2 ..mu..g/ml. Similar growth reductions for corn and lettuce occurred where the solution concentration level was about 1 ..mu..g/ml. Tomatoes and barley were somewhat more tolerant with levels of about 5 ..mu.. Cd/ml required to produce 50% growth reduction. Cabbage, the most tolerant plant species tested, showed 50% growth reduction at Cd solution concentrations of 9 ..mu..g/ml. Cadmium concentrations of plant leaves increased as the amount of Cd added to the substrate solution increased. Amounts accumulated when the solution concentration was 0.1 ..mu..g/ml and varied between 9 ..mu..g/g (bean leaves) and 90 ..mu..g/g (corn leaves). At solution concentrations of 1.0 ..mu..g Cd/ml the range was 35 ..mu..g/g (bean leaves) to 469 ..mu..g/g (turnip leaves). Similarly at 10 ..mu.. Cd/ml the range was 175 ..mu..g/g (barley) to 112 ..mu..g/g (tomato leaves). The results presented show that plants vary in their tolerance to Cd solution levels and their leaves are capable of accumulating excessive Cd amounts when the solution concentration is of the order of a few tenths of a ..mu..g/ml.

  15. The rate of intestinal glucose absorption is correlated with plasma glucose-dependent insulinotropic polypeptide concentrations in healthy men

    DEFF Research Database (Denmark)

    Wachters-Hagedoorn, Renate E; Priebe, Marion G; Heimweg, Janneke A J;

    2006-01-01

    Glucagon-like peptide-1 (GLP-1) and glucose-dependent insulinotropic polypeptide (GIP) both play a role in the control of glucose homeostasis, and GIP is implicated in the regulation of energy storage. The capacity of carbohydrates to induce secretion of these incretin hormones could be one of the...... factors determining the metabolic quality of different types of carbohydrates. We analyzed the correlation between the rate of intestinal absorption of (starch-derived) glucose and plasma concentrations of GLP-1 and GIP after ingestion of glucose and starchy foods with a different content of rapidly and...... slowly available glucose. In a crossover study, glucose, insulin, GLP-1, and GIP concentrations were monitored for 6 h after consumption of glucose, uncooked cornstarch (UCCS) or corn pasta in 7 healthy men. All test meals were naturally labeled with 13C. Using a primed, continuous D-[6,6-2H2]glucose...

  16. Establishment of the correlation law between electron density, infrared absorption and doping concentration in Ga3+-doped ZnO

    International Nuclear Information System (INIS)

    Highlights: ► Synthesis of nanometric A3+-doped ZnO by polyol-mediated route. ► Correlation between free electron density and the doping rate of A3+-doped ZnO. ► Optimization of infrared absorbing properties of A3+-doped ZnO. - Abstract: A polyol-mediated synthesis allows the obtaining of doped zinc oxides nanoparticles with tunable infrared absorption properties via the doping concentration. In a first step the prepared nanoparticles are characterized in terms of chemical composition (purity and homogeneity), crystallite size and agglomerate morphology. A correlation law between the infrared absorbing efficiency, the free electron density and the doping concentration is then clearly established; this law is based on the neighboring probability of the dopant ions in the crystal network

  17. Phytoplankton size class derived from phytoplankton absorption and chlorophyll-a concentrations in the northern South China Sea

    Institute of Scientific and Technical Information of China (English)

    WANG Guoqing; CAO Wenxi; WANG Guifen; ZHOU Wen

    2013-01-01

    A previously developed model was modified to derive three phytoplankton size classes (micro-,nano-,and pico-phytoplankton) from the overall chlorophyll-a concentration,assuming that each class has a specific absorption coefficient.The modified model performed well using in-situ data from the northern South China Sea,and the results were reliable and accurate.The relative errors of the size-fractioned chlorophyll-a concentration for each size class were:micro-:21%,nano-:41%,pico-:26%,and nano+pico:23%.The model was then applied on ocean color remote sensing data to examine the distribution and variation of phytoplankton size classes in northern South China Sea on a large scale.

  18. Layer-by-layer deposited organic/inorganic hybrid multilayer films containing noncentrosymmetrically orientated azobenzene chromophores.

    Science.gov (United States)

    Kang, En-Hua; Bu, Tianjia; Jin, Pengcheng; Sun, Junqi; Yang, Yanqiang; Shen, Jiacong

    2007-07-01

    Organic/inorganic hybrid multilayer films with noncentrosymmetrically orientated azobenzene chromophores were fabricated by the sequential deposition of ZrO2 layers by a surface sol-gel process and subsequent layer-by-layer (LbL) adsorption of the nonlinear optical (NLO)-active azobenzene-containing polyanion PAC-azoBNS and poly(diallyldimethylammonium chloride) (PDDA). Noncentrosymmetric orientation of the NLO-active azobenzene chromophores was achieved because of the strong repulsion between the negatively charged ZrO(2) and the sulfonate groups of the azobenzene chromophore in PAC-azoBNS. Regular deposition of ZrO(2)/PAC-azoBNS/PDDA multilayer films was verified by UV-vis absorption spectroscopy and quartz crystal microbalance measurements. Both UV-vis absorption spectroscopy and transmission second harmonic generation (SHG) measurements confirmed the noncentrosymmetric orientation of the azobenzene chromophores in the as-prepared ZrO2/PAC-azoBNS/PDDA multilayer films. The square root of the SHG signal (I(2omega)(1/2)) increases with the increase of the azobenzene graft ratio in PAC-azoBNS as the number of deposition cycles of the ZrO(2)/PAC-azoBNS/PDDA films remains the same, while the second-order susceptibility chi(zzz)(2) of the film decreases with the increase of the azobenzene graft ratio. Furthermore, the present method was successfully extended to realize the noncentrosymmetric orientation of azobenzene chromophores in multilayer films when small organic azobenzene compounds with carboxylic acid and/or hydroxyl groups at one end and sulfonate groups at the other end were used. The present method was characterized by its simplicity and flexibility in film preparation, and it is anticipated to be a facile way to fabricate second-order nonlinear optical film materials. PMID:17555337

  19. Triplet excited state properties in variable gap π-conjugated donor–acceptor–donor chromophores

    KAUST Repository

    Cekli, Seda

    2016-02-12

    A series of variable band-gap donor–acceptor–donor (DAD) chromophores capped with platinum(II) acetylide units has been synthesized and fully characterized by electrochemical and photophysical methods, with particular emphasis placed on probing triplet excited state properties. A counter-intuitive trend of increasing fluorescence quantum efficiency and lifetime with decreasing excited state energy (optical gap) is observed across the series of DAD chromophores. Careful study of the excited state dynamics, including triplet yields (as inferred from singlet oxygen sensitization), reveals that the underlying origin of the unusual trend in the fluorescence parameters is that the singlet–triplet intersystem crossing rate and yield decrease with decreasing optical gap. It is concluded that the rate of intersystem crossing decreases as the LUMO is increasingly localized on the acceptor unit in the DAD chromophore, and this result is interpreted as arising because the extent of spin–orbit coupling induced by the platinum heavy metal centers decreases as the LUMO is more localized on the acceptor. In addition to the trend in intersystem crossing, the results show that the triplet decay rates follow the Energy Gap Law correlation over a 1.8 eV range of triplet energy and 1000-fold range of triplet decay rates. Finally, femtosecond transient absorption studies for the DAD chromophores reveals a strong absorption in the near-infrared region which is attributed to the singlet excited state. This spectral band appears to be general for DAD chromophores, and may be a signature of the charge transfer (CT) singlet excited state.

  20. Mechanism of chromophore assisted laser inactivation employing fluorescent proteins.

    Science.gov (United States)

    McLean, Mark A; Rajfur, Zenon; Chen, Zaozao; Humphrey, David; Yang, Bing; Sligar, Stephen G; Jacobson, Ken

    2009-03-01

    Chromophore assisted laser inactivation (CALI) is a technique that uses irradiation of chromophores proximate to a target protein to inactivate function. Previously, enhanced green fluorescent protein (EGFP) mediated CALI has been used to inactivate EGFP-fusion proteins in a spatio-temporally defined manner within cells, but the mechanism of inactivation is unknown. To help elucidate the mechanism of protein inactivation mediated by fluorescent protein CALI ([FP]-CALI), the activities of purified glutathione-S-transferase-FP (GST-EXFP) fusions were measured after laser irradiation in vitro. Singlet oxygen and free radical quenchers as well as the removal of oxygen inhibited CALI, indicating the involvement of a reactive oxygen species (ROS). At higher concentrations of protein, turbidity after CALI increased significantly indicating cross-linking of proximate fusion proteins suggesting that damage of residues on the surface of the protein, distant from the active site, results in inactivation. Control experiments removed sample heating as a possible cause of these effects. Different FP mutants fused to GST vary in their CALI efficiency in the order enhanced green fluorescent protein (EGFP) > enhanced yellow fluorescent protein (EYFP) > enhanced cyan fluorescent protein (ECFP), while a GST construct that binds fluorescein-based arsenical hairpin binder (FlAsH) results in significantly higher CALI efficiency than any of the fluorescent proteins (XFPs) tested. It is likely that the hierarchy of XFP effectiveness reflects the balance between ROS that are trapped within the XFP structure and cause fluorophore and chromophore bleaching and those that escape to effect CALI of proximate proteins. PMID:19199572

  1. Two-phase flow modelling of a solar concentrator applied as ammonia vapor generator in an absorption refrigerator

    Energy Technology Data Exchange (ETDEWEB)

    Ortega, N. [Posgrado en Ingenieria (Energia), Universidad Nacional Autonoma de Mexico, Privada Xochicalco s/n, Temixco, Morelos 62580 (Mexico); Garcia-Valladares, O.; Best, R.; Gomez, V.H. [Centro de Investigacion en Energia, Universidad Nacional Autonoma de Mexico, Privada Xochicalco s/n, Temixco, Morelos 62580 (Mexico)

    2008-09-15

    A detailed one-dimensional numerical model describing the heat and fluid-dynamic behavior inside a compound parabolic concentrator (CPC) used as an ammonia vapor generator has been developed. The governing equations (continuity, momentum, and energy) inside the CPC absorber tube, together with the energy equation in the tube wall and the thermal analysis in the solar concentrator were solved. The computational method developed is useful for the solar vapor generator design applied to absorption cooling systems. The effect on the outlet temperature and vapor quality of a range of CPC design parameters was analyzed. These parameters were the acceptance half-angle and CPC length, the diameter and coating of the absorber tube, and the manufacture materials of the cover, the reflector, and the absorber tube. It was found that the most important design parameters in order to obtain a higher ammonia-water vapor production are, in order of priority: the reflector material, the absorber tube diameter, the selective surface, and the acceptance half-angle. The direct ammonia-water vapor generation resulting from a 35 m long CPC was coupled to an absorption refrigeration system model in order to determine the solar fraction, cooling capacity, coefficient of performance, and overall efficiency during a typical day of operation. The results show that approximately 3.8 kW of cooling at -10{sup o}C could be produced with solar and overall efficiencies up to 46.3% and 21.2%, respectively. (author)

  2. Histidine-tag-directed chromophores for tracer analyses in the analytical ultracentrifuge

    OpenAIRE

    Hellman, Lance M.; Zhao, Chunxia; Melikishvili, Manana; Tao, Xiaorong; Hopper, James E.; Whiteheart, Sidney W.; Fried, Michael G.

    2010-01-01

    Many recombinant proteins carry an oligohistidine (HisX)-tag that allows their purification by immobilized metal affinity chromatography (IMAC). This tag can be exploited for the site-specific attachment of chromophores and fluorophores, using the same metal ion–nitrilotriacetic acid (NTA) coordination chemistry that forms the basis of popular versions of IMAC. Labeling proteins in this way can allow their detection at wavelengths outside of the absorption envelopes of un-modified proteins an...

  3. Fluorescence characteristics of chromophoric dissolved organic matter in shallow water along the Zhejiang coasts, southeast China

    OpenAIRE

    Gao, Lei; Fan, Daidu; Li, Daoji; Cai, Jingong

    2010-01-01

    Abstract Twenty-eight surface water samples from rivers, muddy intertidal flats, sand shores, and bedrock coasts were collected along the Zhejiang coastline in southeastern China. In addition, three samples from the Changjiang (Yangtze River) were collected for comparison. CDOM (chromophoric dissolved organic matter) absorption and fluorescence excitation-emission matrix (EEM) spectroscopy, as well as nutrients and DOC were measured in these samples. According to salinity, nutrient...

  4. C-14 concentration measurement in aqueous samples using direct absorption method and liquid scintillation counting

    International Nuclear Information System (INIS)

    Cernavoda Nuclear Power Station is the only nuclear power plant in Romania and the only CANDU reactor operating in Europe. The Cernavoda Unit 1 is a pressurized heavy water reactor (PHWR) fuelled with natural uranium and moderated and cooled by heavy water. The routine operation of this type reactor and its auxiliary process systems results in the production of a variety of solid, liquid and gaseous radioactive wastes. Carbon-14 is produced mainly via a neutron capture reaction of oxygen-17 in the CANDU reactor. CANDU production and emission rates of C-14 are higher than those of other types of commercial reactors such as light water reactors and gas-cooled reactors. In order to fulfill the exigency of the monitoring program, we propose several studies to optimize C-14 determination in water samples. A complete C-14 measurement procedure adequate for natural level water samples has been developed. The characteristics and specificity of this new measurement technique are discussed and several comparisons with concurrent methods are investigated. Special emphases have been done for sample preparation technique and the direct absorption method has been used with few home-made improvements in order to increase the reproducibility and accuracy of this simple and less-time consumer method. The results confirmed the validity of the sample preparation and measurement procedures, providing an increased reproducibility compared to traditional techniques. A validation test using CaCO3 resulted from oyster shell and marble provided a mean value of 0.2137±0.0039 Bq/gC for an efficiency value of about 64% and a background value of 2.22cpm. The routine procedure was applied on different type of water. (author)

  5. Synthesis and near-infrared characteristics of novel perylene bisimide dyes bay-functionalized with naphthalimide chromophores

    Institute of Scientific and Technical Information of China (English)

    Bo Gao; Yang Li; He Tian

    2007-01-01

    Novel perylene bisimide dyes bay-functionalized with naphthalimide chromophores have been prepared conveniently by coupling of 1,8-naphthalimide and dibromoperylene bisimides. Their optical properties were investigated by UV-vis and fluorescence spectroscopy. The absorption spectra of these compounds showed wide spectral responses from 300 to 700 nm,which would be potentials for application as organic solar cells.

  6. Evolution of dissolved and particulate chromophoric materials during the VAHINE mesocosm experiment in the New Caledonian coral lagoon (south-west Pacific)

    Science.gov (United States)

    Tedetti, Marc; Marie, Lauriane; Röttgers, Rüdiger; Rodier, Martine; Van Wambeke, France; Helias, Sandra; Caffin, Mathieu; Cornet-Barthaux, Véronique; Dupouy, Cécile

    2016-06-01

    In the framework of the VAHINE project, we investigated the spectral characteristics and the variability of dissolved and particulate chromophoric materials throughout a 23-day mesocosm experiment conducted in the south-west Pacific at the mouth of the New Caledonian coral lagoon (22°29.073 S-166°26.905 E) from 13 January to 4 February 2013. Samples were collected in a mesocosm fertilized with phosphate at depths of 1, 6 and 12 m and in the surrounding waters. Light absorption coefficients of chromophoric dissolved organic matter (CDOM) [ag(λ)] and particulate matter [ap(λ)] were determined using a point-source integrating-cavity absorption meter (PSICAM), while fluorescent DOM (FDOM) components were determined from excitation-emission matrices (EEMs) combined with parallel factor analysis (PARAFAC). The evolutions of ag(λ) and ap(λ) in the mesocosm were similar to those of total chlorophyll a concentration, Synechococcus spp. and picoeukaryote abundances, bacterial production, particulate organic nitrogen and total organic carbon concentrations, with roughly a decrease from the beginning of the experiment to days 9-10, and an increase from days 9-10 to the end of the experiment. In the surrounding waters, the same trend was observed but the increase was much less pronounced, emphasizing the effect of the phosphate fertilization on the mesocosm's plankton community. Correlations suggested that both Synechococcus cyanobacteria and heterotrophic bacteria were strongly involved in the production of CDOM and absorption of particulate matter. The increase in phytoplankton biomass during the second part of the experiment led to a higher contribution of particulate material in the absorption budget at 442 nm. The three FDOM components identified (tryptophan-, tyrosine- and ultraviolet C (UVC) humic-like fluorophores) did not follow the evolution of CDOM and particulate matter, suggesting they were driven by different production/degradation processes. Finally, the

  7. Evolution of dissolved and particulate chromophoric materials during the VAHINE mesocosm experiment in the New Caledonian coral lagoon (South West Pacific)

    Science.gov (United States)

    Tedetti, M.; Marie, L.; Röttgers, R.; Rodier, M.; Van Wambeke, F.; Helias, S.; Caffin, M.; Cornet-Barthaux, V.; Dupouy, C.

    2015-10-01

    In the framework of the VAHINE project, we investigated the spectral characteristics and the variability of dissolved and particulate chromophoric materials throughout a 23 day mesocosm experiment conducted in the South West Pacific at the exit of the New Caledonian coral lagoon (22°29.073 S-166°26.905 E) from 13 January to 4 February 2013. Samples were collected in a mesocosm fertilized with phosphorus at 1, 6 and 12 m depth and in the surrounding waters. Light absorption coefficients of chromophoric dissolved organic matter (CDOM) (ag(λ)), particulate matter (ap(λ)) and CDOM + particulate matter (ag+p(λ)) were measured using a point-source integrating-cavity absorption meter (PSICAM), while fluorescent DOM (FDOM) components were determined from excitation-emission matrices (EEMs) combined with parallel factor analysis (PARAFAC). The evolutions of ag(λ), ap(λ) and ag+p(λ) in the mesocosm were similar to those of total chlorophyll a concentration, Synechococcus spp. and picoeukaryote abundances, bacterial production, particulate organic nitrogen and total organic carbon concentrations, with roughly a decrease from the beginning of the experiment to days 9-10, and an increase from days 9-10 to the end of the experiment. In the surrounding waters, the same trend was observed but the increase was much less pronounced, emphasizing the effect of the phosphorus fertilization on the mesocosm's plankton community. Correlations suggested that both Synechococcus cyanobacteria and heterotrophic bacteria were strongly involved in the production of CDOM and absorption of particulate matter. The increase in phytoplankton activities during the second part of the experiment led to a higher contribution of particulate material in the absorption budget at 442 nm. The three FDOM components identified (tryptophan-, tyrosine- and UVC humic-like fluorophores) did not follow the evolution of CDOM and particulate matter, proving that these were driven by different production

  8. Effects of ICG concentration on the optical properties of erythrocyte-derived nano-vectors

    Science.gov (United States)

    Tang, Jack; Bahmani, Baharak; Burns, Joshua; Nuñez, Vicente; Mac, Jenny; Bacon, Danielle; Vullev, Valentine; Sun, Victor; Jia, Wangcun; Nelson, J. S.; Anvari, Bahman

    2015-03-01

    Erythrocyte-based nanoparticle platforms can offer long circulation times not offered by traditional drug delivery methods. We have developed a novel erythrocyte-based nanoparticle doped with indocyanine green (ICG), the only FDA-approved near-infrared chromophore. Here, we report on the absorption and fluorescence emission characteristics of these nanoparticles fabricated using ICG concentrations in the range of 161-323 μM. These nanoparticles may serve as biocompatible optical materials for various clinical imaging and phototherapeutic applications.

  9. Analysis of algebraic reconstruction technique for accurate imaging of gas temperature and concentration based on tunable diode laser absorption spectroscopy

    Science.gov (United States)

    Hui-Hui, Xia; Rui-Feng, Kan; Jian-Guo, Liu; Zhen-Yu, Xu; Ya-Bai, He

    2016-06-01

    An improved algebraic reconstruction technique (ART) combined with tunable diode laser absorption spectroscopy(TDLAS) is presented in this paper for determining two-dimensional (2D) distribution of H2O concentration and temperature in a simulated combustion flame. This work aims to simulate the reconstruction of spectroscopic measurements by a multi-view parallel-beam scanning geometry and analyze the effects of projection rays on reconstruction accuracy. It finally proves that reconstruction quality dramatically increases with the number of projection rays increasing until more than 180 for 20 × 20 grid, and after that point, the number of projection rays has little influence on reconstruction accuracy. It is clear that the temperature reconstruction results are more accurate than the water vapor concentration obtained by the traditional concentration calculation method. In the present study an innovative way to reduce the error of concentration reconstruction and improve the reconstruction quality greatly is also proposed, and the capability of this new method is evaluated by using appropriate assessment parameters. By using this new approach, not only the concentration reconstruction accuracy is greatly improved, but also a suitable parallel-beam arrangement is put forward for high reconstruction accuracy and simplicity of experimental validation. Finally, a bimodal structure of the combustion region is assumed to demonstrate the robustness and universality of the proposed method. Numerical investigation indicates that the proposed TDLAS tomographic algorithm is capable of detecting accurate temperature and concentration profiles. This feasible formula for reconstruction research is expected to resolve several key issues in practical combustion devices. Project supported by the Young Scientists Fund of the National Natural Science Foundation of China (Grant No. 61205151), the National Key Scientific Instrument and Equipment Development Project of China (Grant

  10. Correction for a measurement artifact of the Multi-Angle Absorption Photometer (MAAP at high black carbon mass concentration levels

    Directory of Open Access Journals (Sweden)

    A.-P. Hyvärinen

    2013-01-01

    Full Text Available The Multi-Angle Absorption Photometer (MAAP is a widely-used instrument for aerosol black carbon (BC measurements. In this paper, we show correction methods for an artifact found to affect the instrument accuracy in environments characterized by high black carbon concentrations. The artifact occurs after a filter spot change – as BC mass is accumulated on a fresh filter spot, the attenuation of the light (raw signal is weaker than anticipated. This causes a sudden decrease, followed by a gradual increase in measured BC concentration. The artifact is present in the data when the BC concentration exceeds ~3 μg m−3 at the typical MAAP flow rate of 16.7 L min−1 or 1 m3 h−1. The artifact is caused by erroneous dark counts in the photodetector measuring the transmitted light, in combination with an instrument internal averaging procedure of the photodetector raw signals. It was found that, in addition to the erroneous temporal response of the data, concentrations higher than 9 μg m−3 (at the flow rate of 16.7 L min−1 are underestimated by the MAAP. The underestimation increases with increasing BC accumulation rate. At a flow rate of 16.7 L min−1 and concentration of about 24 μg m−3 (BC accumulation rate ~0.4 μg min−1, the underestimation is about 30%. There are two ways of overcoming the MAAP artifact. One method is by logging the raw signal of the 165° photomultiplier measuring the reflected light from the filter spot. As this signal is not affected by the artifact, it can be converted to approximately correct absorption and BC values. However, as the typical print formats of the MAAP do not give the reflected signal as an output, a semi-empirical correction method was developed based on laboratory experiments to correct for the results in the post-processing phase. The correction function was applied to three MAAP datasets from

  11. Correction for a measurement artifact of the Multi-Angle Absorption Photometer (MAAP at high black carbon mass concentration levels

    Directory of Open Access Journals (Sweden)

    A.-P. Hyvärinen

    2012-09-01

    Full Text Available The Multi-Angle Absorption Photometer (MAAP is a widely-used instrument for aerosol black carbon observations. In this paper, we show correction methods for an artifact found to affect the instrument accuracy in environments with high black carbon concentrations. The artifact occurs after a filter spot change – as BC mass is accumulated on a fresh filter spot, the attenuation of the light (raw signal is weaker than anticipated. This causes a sudden decrease, followed by a gradual increase in measured BC concentration. The artifact is present in the data when the BC concentration exceeds ∼3 μg m−3 at the typical MAAP flow rate of 16.7 l min−1 or 1 m3 h−1. The artifact is caused by erroneous dark counts in the photo detector measuring the transmitted light, in combination with an instrument internal averaging procedure of the photo detector raw signals. It was found that in addition to the erroneous temporal response of the data, concentrations higher than 9 μg m−3 (at the flow rate of 16.7 l min−1 are underestimated by the MAAP. The underestimation increases with increasing BC accumulation rate. At a flow rate of 16.7 l min−1 and concentration of about 24 μg m−3 (BC accumulation rate ∼0.4 μg min−1, the underestimation is about 30%. There are two ways of overcoming the MAAP artifact. One method is by logging the raw signal of the 165° photomultiplier measuring the reflected light from the filter spot. As this signal is not affected by the artifact, it can be converted to approximately correct absorption and BC values. However, as the typical print formats of the MAAP do not give the reflected signal as an output, a semi-empirical correction method was developed based on laboratory experiments to correct for the results in the post-processing phase. The correction function was applied to three MAAP datasets from Gual Pahari

  12. The Potential Applications of Real-Time Monitoring of Water Quality in a Large Shallow Lake (Lake Taihu, China Using a Chromophoric Dissolved Organic Matter Fluorescence Sensor

    Directory of Open Access Journals (Sweden)

    Cheng Niu

    2014-06-01

    Full Text Available This study presents results from field surveys performed over various seasons in a large, eutrophic, shallow lake (Lake Taihu, China using an in situ chromophoric dissolved organic matter (CDOM fluorescence sensor as a surrogate for other water quality parameters. These measurements identified highly significant empirical relationships between CDOM concentration measured using the in situ fluorescence sensor and CDOM absorption, fluorescence, dissolved organic carbon (DOC, chemical oxygen demand (COD and total phosphorus (TP concentrations. CDOM concentration expressed in quinine sulfate equivalent units, was highly correlated with the CDOM absorption coefficient (r2 = 0.80, p < 0.001, fluorescence intensities (Ex./Em. 370/460 nm (r2 = 0.91, p < 0.001, the fluorescence index (r2 = 0.88, p < 0.001 and the humification index (r2 = 0.78, p < 0.001, suggesting that CDOM concentration measured using the in situ fluorescence sensor could act as a substitute for the CDOM absorption coefficient and fluorescence measured in the laboratory. Similarly, CDOM concentration was highly correlated with DOC concentration (r2 = 0.68, p < 0.001, indicating that in situ CDOM fluorescence sensor measurements could be a proxy for DOC concentration. In addition, significant positive correlations were found between laboratory CDOM absorption coefficients and COD (r2 = 0.83, p < 0.001, TP (r2 = 0.82, p < 0.001 concentrations, suggesting a potential further application for the real-time monitoring of water quality using an in situ CDOM fluorescence sensor.

  13. Absorption and fluorescence spectra of C60 fullerene concentrated solutions in hexane and polystyrene at 77-300 K

    International Nuclear Information System (INIS)

    The locations of the 000-bands for S1 #60 solutions in hexane. It is shown that the profile of the S1 #00-band in the forbidden 11T1g #1Ag transition is explained by symmetry reduction in the C60+environment system due to the interaction of electrons with local phonons. The temperature coefficients of the red shift for the 256,3- and 328,3-nm bands of allowed 1T1u #1Ag transitions for C60 in hexane are equal to -1.45 and -0.46 cm-1@K-1, respectively. The peak and half-width values of the 337,2-nm band for C60 in polystyrene remain unchanged on cooling to 77 K. Absorption in the 700-800-nm region for concentrated hexane solutions of fullerene at 292 K results from the production of (C60)n-clusters. (authors)

  14. High Nonlinear Optic Activity Chromophore- Design and Synthesis

    Institute of Scientific and Technical Information of China (English)

    He Mingqian; Thomas M. Leslie

    2004-01-01

    Chromophores are the center piece of second order nonlinear optical (NLO) materials.The common chromophore consists of a Donor-Bridge-Acceptor structure. Donors and acceptors are connected by a bridge and together they make a fully conjugated system. Based on our previously synthesized novelacceptors [1], we have synthesized a large number of high electro-optic chromophores. In this paper, we report four general types of chromophore that were.synthesized during the last few years in our laboratory. Due to The general nature of our chromophore's structure it is best described as:In these structures, R2 and R3 are different groups or a spiro ring junction. Since they are connected to the chromophore with an SP3 hybridized carbon at the furan ring, they are both out of the plane of the conjugated chromophore system. This unique design greatly increases the chromophore's solubility and processability. We believe this design also prevents the highly dipolar,flat chromophores from achieving - stacking resulting on easier poling and a higher EO coefficient.Our poling results proved our hypothesis with a world record 70 pm/V EO coefficient has been obtained at 1550nm in this class of chromophores.

  15. Lead and cadmium in human teeth from Jordan by atomic absorption spectrometry: Some factors influencing their concentrations

    International Nuclear Information System (INIS)

    The aim of this study was to measure the concentrations of lead (Pb) and cadmium (Cd) in human teeth and to investigate the affecting factors. Teeth samples (n = 268) were collected from people living in different cities in Jordan including Amman, Zarqa, Al-Mafraq and Irbid and analyzed for Pb and Cd using atomic absorption spectrometry (AAS). A questionnaire was used to gather information on each person, such as age, sex, place where the patient lives, smoking, presence of amalgam fillings inside the mouth, and whether the patient uses toothpaste or not. The mean concentrations of Pb and Cd were 28.91 μg/g and 0.44 μg/g, respectively. The results indicate that there is a clear relation between Pb and Cd concentrations and the presence of amalgam fillings, smoking, and place of living. Pb was sex-dependent, whereas Cd was not. Our results show that Pb and Cd concentrations in samples obtained from Al-Mafraq and Irbid are higher than those obtained from Amman and Zarqa. Pb was highest in Mafraq, whereas Cd was highest in Irbid. The Pb and Cd concentrations in teeth from smokers (means: Pb = 31.89 μg/g, Cd = 0.49 μg/g) were significantly higher than those from nonsmokers (means: Pb = 24.07 μg/g, Cd = 0.37 μg/g). Pb and Cd concentrations in teeth of patients with amalgam fillings (means: Pb = 31.02 μg/g and Cd = 0.52 μg/g) were significantly higher than those from patients without amalgam fillings (means: Pb = 26.87 μg/g and Cd = 0.41 μg/g). Our results show that brushing the teeth daily with toothpaste does not significantly decrease the concentration of both Pb and Cd. The mean concentrations of Pb and Cd do not vary significantly between the ages 20-30, 31-40, and 41-50, but both increased rapidly at age 51-60

  16. A Synthesis of Light Absorption Properties of the Arctic Ocean: Application to Semi-analytical Estimates of Dissolved Organic Carbon Concentrations from Space

    Science.gov (United States)

    Matsuoka, A.; Babin, M.; Doxaran, D.; Hooker, S. B.; Mitchell, B. G.; Belanger, S.; Bricaud, A.

    2014-01-01

    The light absorption coefficients of particulate and dissolved materials are the main factors determining the light propagation of the visible part of the spectrum and are, thus, important for developing ocean color algorithms. While these absorption properties have recently been documented by a few studies for the Arctic Ocean [e.g., Matsuoka et al., 2007, 2011; Ben Mustapha et al., 2012], the datasets used in the literature were sparse and individually insufficient to draw a general view of the basin-wide spatial and temporal variations in absorption. To achieve such a task, we built a large absorption database at the pan-Arctic scale by pooling the majority of published datasets and merging new datasets. Our results showed that the total non-water absorption coefficients measured in the Eastern Arctic Ocean (EAO; Siberian side) are significantly higher 74 than in the Western Arctic Ocean (WAO; North American side). This higher absorption is explained 75 by higher concentration of colored dissolved organic matter (CDOM) in watersheds on the Siberian 76 side, which contains a large amount of dissolved organic carbon (DOC) compared to waters off 77 North America. In contrast, the relationship between the phytoplankton absorption (a()) and chlorophyll a (chl a) concentration in the EAO was not significantly different from that in the WAO. Because our semi-analytical CDOM absorption algorithm is based on chl a-specific a() values [Matsuoka et al., 2013], this result indirectly suggests that CDOM absorption can be appropriately erived not only for the WAO but also for the EAO using ocean color data. Derived CDOM absorption values were reasonable compared to in situ measurements. By combining this algorithm with empirical DOC versus CDOM relationships, a semi-analytical algorithm for estimating DOC concentrations for coastal waters at the Pan-Arctic scale is presented and applied to satellite ocean color data.

  17. A Successful Attempt to Obtain the Linear Dependence Between One-Photon and Two-Photon Spectral Properties and Hammett Parameters of Various Aromatic Substituents in New π-Extended Asymmetric Organic Chromophores.

    Science.gov (United States)

    Hu, Nvdan; Gong, Yulong; Wang, Xinchao; Lu, Yao; Peng, Guangyue; Yang, Long; Zhang, Shengtao; Luo, Ziping; Li, Hongru; Gao, Fang

    2015-11-01

    A series of new asymmetric chromophores containing aromatic substituents and possessing the excellent π-extension in space were prepared through multi-steps routes. One-photon and two-photon spectral properties of these new chromophores could be tuned by these substituents finely and simultaneously. The linear correlation of the wave numbers of the one-photon absorption and emission maxima to Hammett parameters of these substituents was presented. Near infrared two-photon absorption emission integrated areas of the target chromophores were correlated linearly to Hammett constants of these substituted groups. PMID:26344376

  18. Absorption kinetics of two highly concentrated preparations of growth hormone: 12 IU/ml compared to 56 IU/ml

    DEFF Research Database (Denmark)

    Laursen, Torben; Susgaard, Søren; Jensen, Flemming Steen;

    1994-01-01

    AbstractSend to: Pharmacol Toxicol. 1994 Jan;74(1):54-7. Absorption kinetics of two highly concentrated preparations of growth hormone: 12 IU/ml compared to 56 IU/ml. Laursen T1, Susgaard S, Jensen FS, Jørgensen JO, Christiansen JS. Author information Abstract The purpose of this study...... was to compare the relative bioavailability of two highly concentrated (12 IU/ml versus 56 IU/ml) formulations of biosynthetic human growth hormone administered subcutaneously. After pretreatment with growth hormone for at least four weeks, nine growth hormone deficient patients with a mean age of 26.2 years...... (range 17-43) were studied two times in a randomized design, the two studies being separated by at least one week. At the start of each study period (7 p.m.), growth hormone was injected subcutaneously in a dosage of 3 IU/m2. The 12 IU/ml preparation of growth hormone was administered on one occasion...

  19. Investigation of chromophore-chromophore interaction by electro-optic measurements, linear dichroism, x-ray scattering, and density-functional calculations

    DEFF Research Database (Denmark)

    Apitz, Dirk; Bertram, R.P.; Benter, N.;

    2005-01-01

    Free-beam interferometry and angle-resolved absorption spectra are used to investigate the linear electro-optic coefficients and the linear dichroism in photoaddressable bis-azo copolymer thin films. From the first- and second order parameters deduced, the chromophore orientation distribution is ...... density-functional calculations support the picture of differently aligned bis-azo dye molecules in a trans,trans configuration. Complementary wide-angle x-ray scattering is recorded to confirm the various kinds of ordering in samples poled at different temperatures....

  20. Femtosecond laser waveguide micromachining of PMMA films with azoaromatic chromophores.

    Science.gov (United States)

    Mendonca, C R; Cerami, L R; Shih, T; Tilghman, R W; Baldacchini, T; Mazur, E

    2008-01-01

    We report on the femtosecond-laser micromachining of poly(methyl methacrylate) (PMMA) films doped with nonlinear azoaromatic chromophores: Disperse Red 1, Disperse Red 13 and Disperse Orange 3. We study the conditions for controlling chromophore degradation during the micromachining of PMMA doped with each chromophore. Furthermore, we successfully used fs-micromachining to fabricate optical waveguides within a bulk sample of PMMA doped with these azochromophores. PMID:18521148

  1. Investigation of the chromophore binding cavity in the 11-cis acceptable microbial rhodopsin MR

    Science.gov (United States)

    Mori, Arisa; Yagasaki, Jin; Homma, Michio; Reissig, Louisa; Sudo, Yuki

    2013-06-01

    Rhodopsins are photoactive molecules functioning as photo-energy or photo-signal converters with the chromophore retinal. Recently we characterized a unique microbial rhodopsin (middle rhodopsin, MR) which can also bind 11-cis retinal besides all-trans and 13-cis retinal at a particular ratio. In this study, we investigated the structural characteristics around the retinal binding cavity in MR. The results suggest that the space of the retinal binding site of MR is less restricted to the retinal chromophore and the presence of the 11-cis conformer is regulated by the residues located around the retinal. Furthermore, although the triple mutant of MR has identical residues with the well-studied microbial rhodopsin bacteriorhodopsin (BR) within 5 Å from the retinal, the absorption maximum and retinal composition of MR did not reach those of BR, indicating that some long-range effect(s) (>5 Å) is also important for the maintenance of the chemical properties of MR.

  2. Disulfide Chromophore and Its Optical Activity

    Czech Academy of Sciences Publication Activity Database

    Maloň, Petr; Bednárová, Lucie; Straka, Michal; Krejčí, Lucie; Kumprecht, Lukáš; Kraus, Tomáš; Kubáňová, M.; Baumruk, V.

    2010-01-01

    Roč. 22, 1E (2010), E47-E55. ISSN 0899-0042 R&D Projects: GA ČR(CZ) GA203/07/1335; GA ČR GA203/06/1550; GA ČR GA203/09/2037; GA ČR GAP208/10/0376; GA AV ČR IAA400550810 Institutional research plan: CEZ:AV0Z40550506 Keywords : disulfide chromophore * Raman optical activity * vibrational optical activity * circular dichroism Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.892, year: 2010

  3. Effects of extracellular iron concentration on calcium absorption and relationship between Ca2+ and cell apoptosis in Caco-2 cells

    Institute of Scientific and Technical Information of China (English)

    Li Wang; Qing Li; Xiang-Lin Duan; Yan-Zhong Chang

    2005-01-01

    AIM: To determine the method of growing small intestinal epithelial cells in short-term primary culture and to investigate the effect of extracellular iron concentration ([Fe3+]) on calcium absorption and the relationship between the rising intracellular calcium concentration ([Ca2+]i) and cell apoptosis in human intestinal epithelial Caco-2 cells. METHODS: Primary culture was used for growing small intestinal epithelial cells. [Ca2+]i was detected by a confocal laser scanning microscope. The changes in [Ca2+]i were represented by fluorescence intensity (FI). The apoptosis was evaluated by flow cytometry.RESULTS: Isolation of epithelial cells and preservation of its three-dimensional integrity were achieved using the digestion technique of a mixture of collagenase Ⅺ and dispase Ⅰ. Purification of the epithelial cells was facilitated by using a simple differential sedimentation method. The results showed that proliferation of normal gut epithelium in vitro was initially dependent upon the maintenance of structural integrity of the tissue. If 0.25% trypsin was used for digestion, the cells were severely damaged and very difficult to stick to the Petri dish for growing. The Fe3+ chelating agent desferrioxamine (100, 200 and 300 μmol/L) increased the FI of Caco-2 cells from 27.50±13.18 (control,n = 150) to 35.71±13.99 (n = 150, P<0.01), 72.19±35.40 (n = 150, P<0.01) and 211.34±29.03 (n = 150, P<0.01) in a concentration-dependent manner. There was a significant decrease in the FI of Caco-2 cells treated by ferric ammonium citrate (FAC, a Fe3+ donor; 10, 50 and 100 μmol/L). The FIvalue of Caco-2 cells treated by FAC was 185.85±33.77 (n = 150, P<0.01), 122.73±58.47 (n = 150, P<0.01), and 53.29±19.82 (n = 150, P<0.01), respectively, suggesting that calcium absorption was influenced by [Fe3+]. Calcium ionophore A23187 (0.1, 1.0 and 10 μmol/L) increased the FI of Caco-2 cells from 40.45±13.95 (control, n = 150) to 45.19±21.95 (n = 150, P<0

  4. Sources and transformations of dissolved lignin phenols and chromophoric dissolved organic matter in Otsuchi Bay, Japan

    Directory of Open Access Journals (Sweden)

    Chia-Jung eLu

    2016-06-01

    Full Text Available Dissolved lignin phenols and optical properties of dissolved organic matter (DOM were measured to investigate the sources and transformations of terrigenous DOM (tDOM in Otsuchi Bay, Japan. Three rivers discharge into the bay, and relatively high values of syringyl:vanillyl phenols (0.73 ± 0.07 and cinnamyl:vanillyl phenols (0.33 ± 0.10 indicated large contributions of non-woody angiosperm tissues to lignin and tDOM. The physical mixing of river and seawater played an important role in controlling the concentrations and distributions of lignin phenols and chromophoric DOM (CDOM optical properties in the bay. Lignin phenol concentrations and the CDOM absorption coefficient at 350 nm, a(350, were strongly correlated in river and bay waters. Measurements of lignin phenols and CDOM in bay waters indicated a variety of photochemical and biological transformations of tDOM, including oxidation reactions, photobleaching and a decrease in molecular weight. Photodegradation and biodegradation of lignin and CDOM were investigated in decomposition experiments with river water and native microbial assemblages exposed to natural sunlight or kept in the dark. There was a rapid and substantial removal of lignin phenols and CDOM during the first few days in the light treatment, indicating transformations of tDOM and CDOM can occur soon after discharge of buoyant river water into the bay. The removal of lignin phenols was slightly greater in the dark (34% than in the light (30% during the remaining 59 days of the incubation. Comparison of the light and dark treatments indicated biodegradation was responsible for 67% of total lignin phenol removal during the 62-day incubation exposed to natural sunlight, indicating biodegradation is a dominant removal process in Otsuchi Bay.

  5. Concentration distribution of Nd{sup 3+} In Nd:Gd{sub 3}Ga{sub 5}O{sub 12} crystals studied by optical absorption method

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Dunlu; Zhang, Qingli; Wang, Zhaobing; Su, Jing; Gu, Changjiang; Wang, Aihua; Yin, Shaotang [Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, HeFei 230031 (China)

    2005-07-01

    Nd:Gd{sub 3}Ga{sub 5}O{sub 12} crystals with different concentrations of Nd{sup 3+} were grown by Czochralski method, their absorption spectra were measured at room temperature. By using the optical absorption method, the effective distribution coefficient k{sub eff} for Nd{sup 3+} in GGG was fitted to be 0.40{+-}0.01, which is higher than that of Nd{sup 3+} in YAG. The 808nm absorption cross-section was calculated to be 4.0{+-}0.2 x 10{sup -20} cm{sup -2}. The lengthways and radial concentration distribution of Nd{sup 3+} in the crystals were also analyzed and discussed. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  6. Linear and nonlinear optical absorption coefficients in GaAs/Ga{sub 1-x}Al{sub x}As concentric double quantum rings: Effects of hydrostatic pressure and aluminum concentration

    Energy Technology Data Exchange (ETDEWEB)

    Baghramyan, H.M. [Department of Solid State Physics, Yerevan State University, Al. Manookian 1, 0025 Yerevan (Armenia); Barseghyan, M.G., E-mail: mbarsegh@ysu.am [Department of Solid State Physics, Yerevan State University, Al. Manookian 1, 0025 Yerevan (Armenia); Kirakosyan, A.A. [Department of Solid State Physics, Yerevan State University, Al. Manookian 1, 0025 Yerevan (Armenia); Restrepo, R.L. [Escuela de Ingenieria de Antioquia, AA 7516 Medellin (Colombia); Duque, C.A. [Instituto de Fisica, Universidad de Antioquia, AA 1226 Medellin (Colombia)

    2013-02-15

    The linear and nonlinear intra-band optical absorption coefficients in GaAs/Ga{sub 1-x}Al{sub x}As two-dimensional concentric double quantum rings are investigated. Taking into account the combined effects of hydrostatic pressure and aluminum concentration the energies of the ground (n=1,l=0) and the first excited state (n=2,l=1) have been found using the effective mass approximation and the transfer matrix formalism. The energies of these states and the corresponding threshold energy of the intra-band optical transitions are examined as a function of hydrostatic pressure and aluminum concentration for different sizes of the structure. We also investigated the dependencies of the linear, nonlinear, and total optical absorption coefficients as functions of the incident photon energy for different values of hydrostatic pressure, aluminum concentration, sizes of the structure, and incident optical intensity. Its is found that the effects of the hydrostatic pressure and the aluminum concentration lead to a shifting of the resonant peaks of the intra-band optical spectrum. - Highlights: Black-Right-Pointing-Pointer Linear and nonlinear intra-band absorption in quantum rings. Black-Right-Pointing-Pointer Threshold energy strongly depends on the hydrostatic pressure. Black-Right-Pointing-Pointer Threshold energy strongly depends on the stoichiometry and sizes of structure. Black-Right-Pointing-Pointer Optical absorption is affected by the incident optical intensity.

  7. Jovian Chromophore Characteristics from Multispectral HST Images

    Science.gov (United States)

    Strycker, Paul D.; Chanover, Nancy J.; Simon-Miller, Amy A.; Banfield, Don; Gierasch, Peter J.

    2011-01-01

    The chromophores responsible for coloring the jovian atmosphere are embedded within Jupiter's vertical aerosol structure. Sunlight propagates through this vertical distribution of aerosol particles, whose colors are defined by omega-bar (sub 0)(lambda), and we remotely observe the culmination of the radiative transfer as I/F(lambda). In this study, we employed a radiative transfer code to retrieve omega-bar (sub 0)(lambda) for particles in Jupiter's tropospheric haze at seven wavelengths in the near-UV and visible regimes. The data consisted of images of the 2008 passage of Oval BA to the south of the Great Red Spot obtained by the Wide Field Planetary Camera 2 on-board the Hubble Space Telescope. We present derived particle colors for locations that were selected from 14 weather regions, which spanned a large range of observed colors. All omega-bar (sub 0)(lambda) curves were absorbing in the blue, and omega-bar (sub 0)(lambda) increased monotonically to approximately unity as wavelength increased. We found accurate fits to all omega-bar (sub 0)(lambda) curves using an empirically derived functional form: omega-bar (sub 0)(lambda) = 1 A exp(-B lambda). The best-fit parameters for the mean omega-bar (sub 0)(lambda) curve were A = 25.4 and B = 0.0149 for lambda in units of nm. We performed a principal component analysis (PCA) on our omega-bar (sub 0)(lambda) results and found that one or two independent chromophores were sufficient to produce the variations in omega-bar (sub 0)(lambda). A PCA of I/F(lambda) for the same jovian locations resulted in principal components (PCs) with roughly the same variances as the omega-bar (sub 0)(lambda) PCA, but they did not result in a one-to-one mapping of PC amplitudes between the omega-bar (sub 0)(lambda) PCA and I/F(lambda) PCA. We suggest that statistical analyses performed on I/ F(lambda) image cubes have limited applicability to the characterization of chromophores in the jovian atmosphere due to the sensitivity of 1/ F

  8. Measurement of uranium concentration by molecular absorption spectrophotometry by means optical fibers; Medicion continua de concentracion de uranio por espectrofotometria de absorcion molecular mediante fibras opticas

    Energy Technology Data Exchange (ETDEWEB)

    Gauna, Alberto C.; Pascale, Ariel A. [Comision Nacional de Energia Atomica, Buenos Aires (Argentina). Centro Atomico Ezeiza. Agencia Minipost

    1996-07-01

    An on-line method for measuring the concentration of uranium in uranyl nitrate-nitric acid aqueous solutions is described. The method is based on molecular absorption spectrophotometry with transmission of light by means of optical fibers. It is ideally suited for control and processes development applications. (author)

  9. Unmixing chromophores in human skin with a 3D multispectral optoacoustic mesoscopy system

    Science.gov (United States)

    Schwarz, Mathias; Aguirre, Juan; Soliman, Dominik; Buehler, Andreas; Ntziachristos, Vasilis

    2016-03-01

    The absorption of visible light by human skin is governed by a number of natural chromophores: Eumelanin, pheomelanin, oxyhemoglobin, and deoxyhemoglobin are the major absorbers in the visible range in cutaneous tissue. Label-free quantification of these tissue chromophores is an important step of optoacoustic (photoacoustic) imaging towards clinical application, since it provides relevant information in diseases. In tumor cells, for instance, there are metabolic changes (Warburg effect) compared to healthy cells, leading to changes in oxygenation in the environment of tumors. In malignant melanoma changes in the absorption spectrum have been observed compared to the spectrum of nonmalignant nevi. So far, optoacoustic imaging has been applied to human skin mostly in single-wavelength mode, providing anatomical information but no functional information. In this work, we excited the tissue by a tunable laser source in the spectral range from 413-680 nm with a repetition rate of 50 Hz. The laser was operated in wavelengthsweep mode emitting consecutive pulses at various wavelengths that allowed for automatic co-registration of the multispectral datasets. The multispectral raster-scan optoacoustic mesoscopy (MSOM) system provides a lateral resolution of melanin, oxyhemoglobin, and deoxyhemoglobin, three-dimensional absorption maps of all three absorbers were calculated from the multispectral dataset.

  10. A novel fluorescent turn-on probe for bisulfite based on NBD chromophore

    Indian Academy of Sciences (India)

    Puhui Xie; Guangqin Gao; Wenjie Zhang; Guoyu Yang; Qiu Jin

    2015-07-01

    A novel fluorescent turn-on probe (compound 1) for bisulfite based on 7-nitrobenz-2-oxa-1,3-diazole (NBD) chromophore has been developed. Its sensing behavior toward various anions was investigated by absorption and fluorescence techniques. This probe shows a selective, turn-on fluorescent response and ratiometric colorimetric response toward bisulfite in aqueous acetonitrile solutions. The possible recognition mechanism of probe 1 toward bisulfite was illustrated by MS spectra analysis and DFT calculations Probe 1 was used to determine bisulfite in real-life samples with good recoveries.

  11. Development of a 2-micron Pulsed Differential Absorption Lidar for Atmospheric CO2 Concentration Measurement by Direct Detection Technique

    Science.gov (United States)

    Yu, J.; Singh, U. N.; Petros, M.; Bai, Y.

    2011-12-01

    Researchers at NASA Langley Research Center are developing a 2-micron Pulsed Differential Absorption Lidar instrument for ground and airborne measurements via direct detection method. This instrument will provide an alternate approach to measure atmospheric CO2 concentrations with significant advantages. A high energy pulsed approach provides high-precision measurement capbility by having high signal-to-noise level and unambiguously eliminates the contamination from aerosols and clouds that can bias the IPDA measurement. A key component of the CO2 DIAL system, transceiver, is an existing, airborne ready, robust hardware which can provide 250mJ at 10Hz with double pulse format specifically designed for DIAL instrument. The exact wavelengths of the transceiver are controlled by well defined CW seed laser source to provide the required injection source for generating on-and-off line wavelength pulses sequentially. The compact, rugged, highly reliable transceiver is based on the unique Ho:Tm:YLF high-energy 2-micron pulsed laser technology. All the optical mounts are custom designed and have space heritage. They are designed to be adjustable and lockable and hardened to withstand vibrations that can occur in airborne operation. For the direct detection lidar application, a large primary mirror size is preferred. A 14 inch diameter telescope will be developed for this program. The CO2 DIAL/IPDA system requires many electronic functions to operate. These include diode, RF, seed laser, and PZT drivers; injection seeding detection and control; detector power supplies; and analog inputs to sample various sensors. Under NASA Laser Risk Reduction Program (LRRP), a control unit Compact Laser Electronics (CLE), is developed for the controlling the coherent wind lidar transceiver. Significant modifications and additions are needed to update it for CO2 lidar controls. The data acquisition system was built for ground CO2 measurement demonstration. The software will be updated for

  12. Investigation into chromophore excited-state coupling in allophycocyanin

    Science.gov (United States)

    Zheng, Xiguang; Zhao, Fuli; Wang, He Z.; Gao, Zhaolan; Yu, Zhenxin; Zhu, Jinchang; Xia, Andong; Jiang, Lijin

    1994-08-01

    Both theoretical and experimental studies are presented on chromophore excited-state coupling in linker-free allophycocyanin (APC), one of the antenna phycobiliproteins in algal photosynthesis. A three-site-coupling model has been introduced to describe the exciton interaction mechanism amoung the excited (beta) chromophore in APC, and the exciton energy splitting is estimated. Picosecond polarized fluorescence experiments both on monomeric and trimeric APC isolated from alga Spirulina platensis have been performed. The experimental results show that APC monomer and trimer exhibit remarkedly different spectropic characteristics, and satisfy the suggestion of strong excited- state coupling among chromophores in APC.

  13. Donor impurity-related linear and nonlinear optical absorption coefficients in GaAs/Ga{sub 1−x}Al{sub x}As concentric double quantum rings: Effects of geometry, hydrostatic pressure, and aluminum concentration

    Energy Technology Data Exchange (ETDEWEB)

    Baghramyan, H.M.; Barseghyan, M.G.; Kirakosyan, A.A. [Department of Solid State Physics, Yerevan State University, Al. Manookian 1, 0025 Yerevan (Armenia); Restrepo, R.L. [Física Teórica y Aplicada, Escuela de Ingeniería de Antioquia, AA 7516, Medellín (Colombia); Grupo de Materia Condensada-UdeA, Instituto de Física, Facultadde Ciencias Exactas y Naturales, Universidad de Antioquia UdeA, Calle 70 No. 52-21,Medellín (Colombia); Mora-Ramos, M.E. [Grupo de Materia Condensada-UdeA, Instituto de Física, Facultadde Ciencias Exactas y Naturales, Universidad de Antioquia UdeA, Calle 70 No. 52-21,Medellín (Colombia); Facultad de Ciencias, Universidad Autónoma del Estado de Morelos, Av. Universidad 1001, CP 62209, Cuernavaca, Morelos (Mexico); Duque, C.A., E-mail: cduque@fisica.udea.edu.co [Grupo de Materia Condensada-UdeA, Instituto de Física, Facultadde Ciencias Exactas y Naturales, Universidad de Antioquia UdeA, Calle 70 No. 52-21,Medellín (Colombia)

    2014-01-15

    The linear and nonlinear optical absorption associated with the transition between 1s and 2s states corresponding to the electron-donor-impurity complex in GaAs/Ga{sub 1−x}Al{sub x}As three-dimensional concentric double quantum rings are investigated. Taking into account the combined effects of hydrostatic pressure and the variation of the aluminum concentration, the energies of the ground and first excited s-like states of a donor impurity in such a system have been calculated using the effective mass approximation and a variational method. The energies of these states and the corresponding threshold energy of the optical transitions are examined as functions of hydrostatic pressure, aluminum concentration, radial impurity position, as well as the geometrical dimensions of the structure. The dependencies of the linear, nonlinear and total optical absorption coefficients as functions of the incident photon energy are investigated for different values of those mentioned parameters. It is found that the influences mentioned above lead to either redshifts or blueshifts of the resonant peaks of the optical absorption spectrum. It is particularly discussed the unusual property exhibited by the third-order nonlinear of becoming positive for photon energies below the resonant transition one. It is shown that this phenomenon is associated with the particular features of the system under study, which determine the values of the electric dipole moment matrix elements. -- Highlights: • Intra-band optical absorption associated to impurity states in double quantum rings. • Combined effects of hydrostatic pressure and aluminum concentration are studied. • The influences mentioned above lead to shifts of resonant peaks. • It is discussed an unusual property exhibited by the third-order nonlinear absorption.

  14. Excitation energy transfer in chromophore aggregates within a dissipative medium

    Energy Technology Data Exchange (ETDEWEB)

    Belov, Alexander S., E-mail: belov_as@mail.com [Chemistry Department, Moscow State University, Leninskie Gory 1/3, Moscow (Russian Federation); Eremin, Vadim V. [Chemistry Department, Moscow State University, Leninskie Gory 1/3, Moscow (Russian Federation)

    2012-10-01

    The Redfield theory-based model of excitation energy transfer in chromophore ensembles within dissipative environment is proposed. Application of the multipole expansion to an operator of interaction between the chromophore molecules and the environment together with some assumptions about the latter led to the closed-form expressions for the elements of the dissipation tensor. These expressions relate the rates of transition between eigenstates of a chromophore ensemble with the spectral and electronic properties of an environment and the chromophore molecules. For several model cases the exact solution of the Redfield equations was obtained. -- Highlights: ► A model for electronic relaxation dynamics in supramolecular ensembles is proposed. ► Closed-form expressions for relaxation rates are derived. ► Redfield equations are solved in closed form for several model systems. ► The effect of structural and electronic parameters on relaxation rates is discussed.

  15. Highly fluorescent benzofuran derivatives of the GFP chromophore

    DEFF Research Database (Denmark)

    Christensen, Mikkel Andreas; Jennum, Karsten Stein; Abrahamsen, Peter Bæch;

    2012-01-01

    Intramolecular cyclization reactions of Green Fluorescent Protein chromophores (GFPc) containing an arylethynyl ortho-substituent at the phenol ring provide new aryl-substituted benzofuran derivatives of the GFPc. Some of these heteroaromatic compounds exhibit significantly enhanced fluorescence...

  16. Chromophore structure of the physiologically active form (Pfr) of phytochrome

    OpenAIRE

    RÜDIGER, W.; Thümmler, F.; Cmiel, E.; Schneider, S

    1983-01-01

    Chromopeptides were prepared by proteolytic digestion of phytochrome (far-red absorbing form, Pfr) and of phycocyanin. The phycocyanobilin peptide, the chromophore of which is Z,Z,Z-configurated, was modified to the Z,Z,E isomeric chromophore. It has been demonstrated earlier that the Pfr chromopeptide and the Z,Z,E-configurated phycocyanin chromopeptide behave similarly with regard to spectral and chromatographic properties and reactivity. We present evidence here, obtained by high-resolutio...

  17. Fiber optic-based fluorescence detection system for in vivo studies of exogenous chromophore pharmacokinetics

    Science.gov (United States)

    Doiron, Daniel R.; Dunn, J. B.; Mitchell, W. L.; Dalton, Brian K.; Garbo, Greta M.; Warner, Jon A.

    1995-05-01

    The detection and quantification of the concentration of exogenous chromophores in-vivo by their fluorescence is complicated by many physical and geometrical parameters. Measurement of such signals is advantageous in determining the pharmacokinetics of photosensitizers such as those used in photodynamic therapy (PDT) or to assist in the diagnosis of tissue histological state. To overcome these difficulties a ratio based fiber optic contact fluorometer has been developed. This fluorescence detection system (FDS) uses the ratio of the fluorescence emission peak of the exogenous chromophore to that of endogenous chromophores, i.e. autofluorescence, to correct for a variety of parameters affecting the magnitude of the measured signals. By doing so it also minimizes the range of baseline measurements prior to exogenous drug injection, for various tissue types. Design of the FDS and results of its testing in animals and patients using the second generation photosensitizer Tin ethyletiopurpurin (SnET2) are presented. These results support the feasibility and usefulness of the Ratio FDS system.

  18. Very high finesse optical-feedback cavity-enhanced absorption spectrometer for low concentration water vapor isotope analyses.

    Science.gov (United States)

    Landsberg, J; Romanini, D; Kerstel, E

    2014-04-01

    So far, cavity-enhanced absorption spectroscopy (CEAS) has been based on optical cavities with a high finesse F that, however, has been limited by mirror reflectivity and by cavity transmission considerations to a few times 10,000. Here, we demonstrate a compact near-infrared optical-feedback CEAS instrument for water vapor isotope ratio measurements, with F>140,000. We show that this very high finesse can be effectively exploited to improve the detection sensitivity to the full extent predicted by the increased effective path length to reach a noise equivalent absorption sensitivity of 5.7×10(-11)  cm(-1) Hz(-1/2) for a full spectrum registration (including possible effects of interference fringes and fit model inadequacies). PMID:24686607

  19. Determination of the relative concentrations of rare earth ions by x-ray absorption spectroscopy: Application to terbium mixed oxides

    OpenAIRE

    Laan, van der, Paul Maarten; Fuggle, J.C.; van Dijk; Burggraaf, A.J.; Esteva, J.-M.; Karnatak, R.

    1986-01-01

    A method, based on X-ray absorption spectroscopy (XAS) in the range 0.8–1.5 keV, to determine the relative amounts of rare earth ions in different valencies is explained and tested for the case of terbium mixed oxides. The results are in agreement with those obtained by existing analytical methods. The XAS method is advantageous in that it can be applied where other, conventional, methods break down.

  20. Light responsive thin films of micelles of PS-b-PVP complexed with diazophenol chromophore

    International Nuclear Information System (INIS)

    We have incorporated push–pull azobenzene units into diblock-copolymer micelles by supramolecular assembly. Specifically, we encapsulated a phenol-functionalized chromophore, DO13, within PS-b-P4VP micelles in toluene by means of H-bond interactions developed between DO13 molecules and pyridine groups of P4VP block. The solutions were spin-coated onto glass substrates resulting in multi- or mono-layered thin films of micelles with P4VP(DO13) core and PS corona. We show that the use of DO13 as a building block of micellar aggregates allowed us to manipulate the developed nanostructures. Spherical to cylindrical micellar transition was found when we increased the degree of chromophore complexation. Also, it was found that the polymer concentration in the solution plays an important role in determining the micellar nanostructures. The chain extension and change in composition of the P4VP core in the presence of the chromophore may be responsible for the structural changes observed in the micelles. The optical properties of the thin films have been investigated focusing on the effect of the micellar morphology over the photoinduced birefringence. The optical anisotropy (Δn) increased with respect to the analogous homogeneous system P4VP(DO13), indicating that the protective micelle environment can enhance the optical properties of the embedded chromophores significantly. Furthermore, we show very interesting new results in which we have related changes in optical properties to the film morphology (spheres to cylinders). This can be exploited for producing optical devices having improved optoelectronic properties and stability. (paper)

  1. Synthesis and photoisomerization reactions of norbornadienes possessing chalcone chromophore and reactions of the formed quadricyclane derivatives

    Energy Technology Data Exchange (ETDEWEB)

    Hasegawa, Eietsu; Mukai, Toshio; Toda, Takashi

    1988-08-10

    For efficient utilization of solar light energy, 2-aroyl-3-arylnorbornadienes derivatives (1)(with long wave absorption band) which possess a chalcone chromophore were synthesized, and the photoisomerization reactions were investigated. (1) possess the absorption band in visible light region corresponding to the kind of substitutional group introduced. Quadricyclane derivatives (2) were formed with the quantum yields of 0.06-0.60 in the photoisomerizations though they differ correspond to the substitutional group. (2) were shifted easily to (1) with heating, furthermore, isomerizations of (2) to (1) were carried out in good yields by contact with silver perchlorate, trifluoroacetic acid and even with silica gel. Photoisomerization reactions of (2) gave tricyclane derivatives (7) added ethanol in high yield, in leaving at room temperature after mixing with ethanol. (1 fig, 7 tabs, 24 refs)

  2. Application of NMR-based metabonomics suggests a relationship between betaine absorption and elevated creatine plasma concentrations in catheterised sows

    DEFF Research Database (Denmark)

    Yde, Christian Clement; Westerhuis, Johan A.; Bertram, Hanne Christine S.;

    2012-01-01

    these metabolites from the small intestine. The LF diet resulted in a higher betaine concentration in the blood than the two high-fibre diets (P¼0·008). This leads to higher plasma concentrations of methionine (P¼0·0028) and creatine (P¼0·020) of endogenous origin. In conclusion, the use of NMR...... spectroscopy for measuring nutrient uptake in the present study elucidated the relationship between betaine uptake and elevated creatine plasma concentrations....

  3. Frequency Comb Spectroscopy of CO(2), CH(4), H(2)O, and Isotopes Over a 2 km Outdoor Path: Concentration Retrievals Using Different Absorption Models

    Science.gov (United States)

    Rieker, G. B.; Giorgetta, F. R.; Coddington, I.; Swann, W. C.; Zolot, A. M.; Sinclair, L. C.; Baumann, E.; Cromer, C.; Newbury, N.

    2014-06-01

    A dual frequency comb spectrometer is used to make high signal-to-noise measurements of atmospheric absorption from 5990 to 6260 cm-1 with 0.0033 cm-1 point spacing and ˜4·10-8 cm-1 resolution over a 2 km outdoor air path. The spectra, which encompass over 700 absorption features of CO2, CH4, and H2O, are fit with several absorption models to assess the quality of the models and to retrieve the various species concentrations and air temperature. The models tested include the HITRAN 2008 and 2012 spectral databases with Voigt line-shape profiles as well as a recent model for CO2 that includes the effects of line mixing and speed dependence. Residuals are typically less than 2% of the peak absorbance, except for the HITRAN 2012 CH4 model, which exhibits larger residuals. Species concentration retrievals using the models are compared with a calibrated point sensor mounted on a tower near the open air path.

  4. Absorption kinetics and steady-state plasma concentrations of theophylline following therapeutic doses of two sustained-release preparations

    DEFF Research Database (Denmark)

    Andersen, O; Nielsen, M K; Eriksen, P B; Fenger, M; Knudsen, P J

    1983-01-01

    Ten healthy volunteers received two sustained-release preparations as a single and multiple dose regimen in an open crossover study. Plasma theophylline concentrations were measured by an enzyme immunoassay. The limited fluctuation of the theophylline levels at steady state, with twice daily...... theophylline concentration....

  5. Three-week psyllium-husk supplementation: effect on plasma cholesterol concentrations, fecal steroid excretion, and carbohydrate absorption in men.

    Science.gov (United States)

    Abraham, Z D; Mehta, T

    1988-01-01

    This study was conducted to determine the effect of psyllium husk on plasma total and lipoprotein cholesterol in healthy human subjects and to elucidate possible hypocholesterolemic mechanisms. Seven males were given a nutritionally controlled diet based on their usual intake for x = 3 wk followed by 3 wk in which 21 g/d per person psyllium husk was added to the basal diet. After 10 d and after 3 wk of psyllium supplementation, total, low-density, and high-density cholesterol were reduced (p less than 0.002, p less than 0.01, and p less than 0.03, respectively). Fecal steroid excretion, determined from 5-d collections, was not affected by psyllium supplementation. Although psyllium tended to delay lipid absorption, plasma triglycerides, retinyl esters, glucose, insulin, and glucagon quantitated during meal tolerance tests given on the last day of each diet period were not different (p greater than 0.05). Thus the cholesterol-lowering mechanism of psyllium may not involve increased bile acid excretion or decreases in nutrient absorption. PMID:2827455

  6. Associated depression in pseudophakic patients with intraocular lens with and without chromophore

    Science.gov (United States)

    Mendoza-Mendieta, María Elena; Lorenzo-Mejía, Ana Aurora

    2016-01-01

    Background With aging, the crystalline lens turns yellowish, which increases the absorption of wavelengths in the blue electromagnetic spectrum, reducing their photoreception in the retina. Since these wavelengths are the main stimulus in the regulation of the circadian rhythm, progressive reduction in their transmission is associated with chronic sleep disturbances and depression in elderly patients. Cataract extraction improves circadian photoreception at any age. However, lenses that block blue waves have 27% to 38% less melatonin suppression than lenses that block only ultraviolet (UV) rays. Purpose To assess the depression symptoms in subjects who have had bilateral phacoemul-sification and intraocular lens (IOL) implants, one group with yellow chromophore IOLs and the other group with transparent IOLs were compared. Setting Association to Prevent Blindness in Mexico (APEC), Hospital “Dr Luis Sánchez Bulnes”. Design This was an observational, cross-sectional, and single-center study. Materials and methods Twenty-six subjects between 60 and 80 years of age, with a history of bilateral phacoemulsification and placement of the same type of IOL in both eyes from 4 to 12 months prior to the study, who attended the follow-up visits and agreed to participate in this study, and provided signed informed consent were included in the study. They were asked to answer the short version of the 15-item Geriatric Depression Scale. Results The average age of the study participants was 72.5±5.94 years. The group without chromophore included 46.1% (n=12) of the patients and the group with chromophore included 53.9% (n=14) of the patients (P=0.088). Conclusion In the group of patients with IOLs that block the passage of blue light, the depression rate was 21.4%, a rate similar to that observed in the elderly population, whereas no patients in the group with transparent IOLs had depression. PMID:27099465

  7. Subterranean Carbon Dioxide Concentration Analysis Utilizing a Scalable Optical Fiber-Based Absorption Cell Array for Carbon Capture and Storage Site Integrity Monitoring

    Science.gov (United States)

    Wicks, G. R.; Soukup, B.; Repasky, K. S.; Carlsten, J.

    2011-12-01

    Geologic carbon sequestration is a means to mitigate the increasing atmospheric concentration of carbon dioxide (CO2) by capturing the CO2 at a source such as a power generation facility and storing the captured CO2 in geologic formations. Many technological advances will need to occur for successful carbon sequestration, including near surface monitoring tools and techniques to ensure site integrity and public safety. Researchers at Montana State University (MSU) are developing a scalable fiber sensor array in a call/return configuration for monitoring near sub-surface CO2 concentrations for the purpose of carbon sequestration site integrity monitoring. The system measures CO2 concentrations through the application of tunable diode laser absorption spectroscopy (TDLAS). The instrument utilizes four fiber probes (absorption cells) connected to a detector, a fiber-optic beam splitter, and a 1 x 4 fiber-optic micro-electromechanical (MEMS) switch that can direct the light to one of the four probes, and employs a single tunable distributed feedback (DFB) diode laser with a center wavelength of 2.004 μm to access CO2 absorption features. The fiber sensor array can easily be reconfigured by simply moving the fiber probes. Low cost is achieved by using inexpensive passive components in the probes while limiting the number of the more expensive components including the DFB laser, the detector, and the 1 X 4 MEMS switch. The fiber sensor system was tested over a sixty day period centered on a thirty day controlled CO2 release at the Zero Emission Research Technology (ZERT) facility that was developed for sub-surface and near surface carbon sequestration monitoring research. In this presentation, the design of the fiber sensor array system will be presented, along with the system performance during the sixty day monitoring experiment.

  8. Trends in mercury concentrations in the hair of women of Nome, Alaska - Evidence of seafood consumption or abiotic absorption?

    International Nuclear Information System (INIS)

    Eighty samples of hair from women of child-bearing age from Nome, Alaska, and seven control samples from women living in Sequim, Washington, were analyzed for mercury concentration by segmental analysis in an effort to determine whether seasonal fluctuations in mercury concentration in the hair samples can be correlated to seasonal seafood consumption. Full-length hair strands were analyzed in 1.1-cm segments representing 1 month's growth using a strong acid digestion and cold vapor atomic fluorescence analysis. It was assumed that the concentration of mercury in each segment is an indicator of the mercury body burden during the month in which the segment emerged from the scalp. Eighteen of the samples show seasonal variability, with five of the controls and one Nome resident showing winter highs while all Nome residents show summer highs. Twenty-six of the samples show an increase in mercury concentration toward the distal end of the strand regardless of month of growth. The trend of increasing mercury concentrations toward the distal end of the hair strand regardless of month of emergence, and the documented presence of elevated levels of elemental mercury in the Nome area suggest that these elevated levels may actually be due to external contamination of the hair strands by adsorption and not due to ingestion of contaminated foodstuffs such as seafood

  9. Molecular design of new chromophores for high performance poled polymers

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Based on the principles of molecular engineering, a series of new chromophores with high second-or der nonlinear optical(NLO)activities have been designed for achieving a trade-off of the nonlinearity-transparency-ther mal stability. The NLO properties of these chromophores have been investigated theoretically by employing the AMI/Fi nite Field approach. It is found that the calculated μβ0 values of some designed chromophores can reach the magnitude of 10-45 esu, and the highest decomposition temperature Td can be as high as 377℃, the highest glass transition tem perature Ts of their donor-embedded addition-type polyimides can be as high as 324℃.

  10. Synthesis, structure, ultrafast kinetics, and light-induced dynamics of CuHETPHEN chromophores.

    Science.gov (United States)

    Kohler, Lars; Hayes, Dugan; Hong, Jiyun; Carter, Tyler J; Shelby, Megan L; Fransted, Kelly A; Chen, Lin X; Mulfort, Karen L

    2016-06-14

    Five heteroleptic Cu(i)bis(phenanthroline) chromophores with distinct variation in the steric bulk at the 2,9-phenanthroline position were synthesized using the HETPHEN method, and their ground and excited state properties are described. Analysis of the crystal structures reveals a significant distortion from tetrahedral geometry around the Cu(i) centre which is attributed to favourable aromatic interactions between the two phenanthroline ligands. Ultrafast and nanosecond transient optical spectroscopies reveal that the excited state lifetime can be tuned across two orders of magnitude up to 74 nanoseconds in acetonitrile by changing the 2,9-substituent from hydrogen to sec-butyl. X-ray transient absorption spectroscopy at the Cu K-edge confirmed Cu(i) oxidation to Cu(ii) and revealed a decrease of the Cu-N bond lengths in the excited state. The ground and excited state characterization presented here will guide the integration of CuHETPHEN chromophores into complex electron donor-acceptor architectures. PMID:26924711

  11. Allosteric effects of chromophore interaction with dimeric near-infrared fluorescent proteins engineered from bacterial phytochromes.

    Science.gov (United States)

    Stepanenko, Olesya V; Baloban, Mikhail; Bublikov, Grigory S; Shcherbakova, Daria M; Stepanenko, Olga V; Turoverov, Konstantin K; Kuznetsova, Irina M; Verkhusha, Vladislav V

    2016-01-01

    Fluorescent proteins (FPs) engineered from bacterial phytochromes attract attention as probes for in vivo imaging due to their near-infrared (NIR) spectra and use of available in mammalian cells biliverdin (BV) as chromophore. We studied spectral properties of the iRFP670, iRFP682 and iRFP713 proteins and their mutants having Cys residues able to bind BV either in both PAS (Cys15) and GAF (Cys256) domains, in one of these domains, or without these Cys residues. We show that the absorption and fluorescence spectra and the chromophore binding depend on the location of the Cys residues. Compared with NIR FPs in which BV covalently binds to Cys15 or those that incorporate BV noncovalently, the proteins with BV covalently bound to Cys256 have blue-shifted spectra and higher quantum yield. In dimeric NIR FPs without Cys15, the covalent binding of BV to Сys256 in one monomer allosterically inhibits the covalent binding of BV to the other monomer, whereas the presence of Cys15 allosterically promotes BV binding to Cys256 in both monomers. The NIR FPs with both Cys residues have the narrowest blue-shifted spectra and the highest quantum yield. Our analysis resulted in the iRFP713/Val256Cys protein with the highest brightness in mammalian cells among available NIR FPs. PMID:26725513

  12. Determination of lead in water resources by flame atomic absorption spectrometry after pre-concentration with ammonium pyrrolidinedithiocarbamate immobilized on surfactant-coated alumina

    Directory of Open Access Journals (Sweden)

    SAYED MORTEZA TALEBI

    2007-06-01

    Full Text Available Arapid, simple, and sensitive procedure based on modified solid phase extraction was developed for the pre-concentration and determination of trace amount of lead in water resources. Lead was reacted with ammonium pyrrolidinedithiocarbamate (APDC to make a complex. The complex was then collected in a column packed with surfactant-coated alumina. The parameters affecting the collection efficiency and desorption rate of the lead complexes from the column were investigated and optimized. The collection efficiency of the lead complex on the adsorbent was excellent under the optimized conditions. The results obtained from the recovery test showed the capability and reliability of the method for the analysis of trace amounts of lead. The proposed pre-concentration procedure made it possible to apply conventional flame atomic absorption spectrometry (FAAS for the sensitive determination of trace amounts of lead in water resources.

  13. Absorption and tissue distribution of radioactivity in mussels (Mytilus Galloprovincialis) exposed to low concentrations of 14C-polychlorinated biphenyl

    International Nuclear Information System (INIS)

    Mussels (Mytilus galloprovincialis) were exposed for 144 h to an isomeric 14C polychlorinated biphenyl (PCB) mixture at an initial concentration of 4.6 μg l-1. Animals were sampled after 6, 12, 24, 72 and 144 h of exposure for sex differences in PCB tissue distribution. PCB was readily absorbed within 12 h and then slowly eliminated from the body with a biological half-time of 209 h. No sexual differences were observed except with mussels sampled at 12 h, where 14C activity was significantly higher (P14C activity measured in gills appeared to be related to the PCB water concentration. 14 refs.; 3 figs.; 1 table

  14. Tomato root growth and phosphorus absorption kinetics by tomato plants as affected by phosphorus concentration in nutrient solution

    International Nuclear Information System (INIS)

    To evaluate the effects P concentrations in nutrient solution on root growth and on root physiological characteristics involved in P uptake by tomato Lycopersicon esculentum Mill plants, six seedlings were grown in nutrient solution at initial concentrations of 48.5, 97, 194 and 388 μMP until one day before harvest. They were then transferred to solutions with P at 20 μM and 30 μM, and the depletion curves and Michaelis-Menten parameters were determined. The conclusions were that as P supply increased and as the plant P contents are sufficient for maximum growth, the rate of P uptake tends to be lower. The results also indicate that total P uptake by tomato seedlings depends on the amount of root surface area exposed to P. (M.A.C.)

  15. Wavelength dependent light absorption as a cost effective, real-time surrogate for ambient concentrations of polycyclic aromatic hydrocarbons

    Science.gov (United States)

    Brown, Richard J. C.; Butterfield, David M.; Goddard, Sharon L.; Hussain, Delwar; Quincey, Paul G.; Fuller, Gary W.

    2016-02-01

    Many monitoring stations used to assess ambient air concentrations of pollutants regulated by European air quality directives suffer from being expensive to establish and operate, and from their location being based on the results of macro-scale modelling exercises rather than measurement assessments in candidate locations. To address these issues for the monitoring of polycyclic aromatic hydrocarbons (PAHs), this study has used data from a combination of the ultraviolet and infrared channels of aethalometers (referred to as UV BC), operated as part of the UK Black Carbon Network, as a surrogate measurement. This has established a relationship between concentrations of the PAH regulated in Europe, benzo[a]pyrene (B[a]P), and the UV BC signal at locations where these measurements have been made together from 2008 to 2014. This relationship was observed to be non-linear. Relationships for individual site types were used to predict measured concentrations with, on average, 1.5% accuracy across all annual averages, and with only 1 in 36 of the predicted annual averages deviating from the measured annual average by more than the B[a]P data quality objective for uncertainty of 50% (at -65%, with the range excluding this value between + 38% and -37%). These relationships were then used to predict B[a]P concentrations at stations where UV BC measurement are made, but PAH measurements are not. This process produced results which reflected expectations based on knowledge of the pollution climate at these stations gained from the measurements of other air quality networks, or from nearby stations. The influence of domestic solid fuel heating was clear using this approach which highlighted Strabane in Northern Ireland as a station likely to be in excess of the air quality directive target value for B[a]P.

  16. THE PURIFICATION OF GLUCOSE SYRUP FROM TAPIOCA BY USING ABSORPTION METHOD AND THE CONCENTRATION PROCESS BY VACUUM EVAPORATOR

    OpenAIRE

    Zainal; Laga, Amran; Bastian, Februadi

    2013-01-01

    The glucose syrupe production from tapioca needs to remove dirt and the colour. The water content should also be reduced. The aobjectives of this research were to identify the efffectiveness of glucose syrup purification by using the combination of activated charcoal and zeolit, and to determine the optimal evaporation time on the concentration process of glucose syrup to produce high glucose syrup. The materials were tapioca, activated charcoal, and zeolit. The research was started with conv...

  17. Photocatalytic Water Splitting with the Acridine Chromophore: A Computational Study.

    Science.gov (United States)

    Liu, Xiaojun; Karsili, Tolga N V; Sobolewski, Andrzej L; Domcke, Wolfgang

    2015-08-20

    The hydrogen-bonded acridine-water complex is considered as a model system for the exploration of photochemical reactions which can lead to the splitting of water into H(•) and OH(•) radicals. The vertical excitation energies of the lowest singlet and triplet excited states of the complex were calculated with the CASSCF/CASPT2 and ADC(2) ab initio electronic-structure methods. In addition to the well-known excited states of the acridine chromophore, excited states of charge-transfer character were identified, in which an electron is transferred from the p orbital of the H2O molecule to the π* orbital of acridine. The low-energy barriers which separate these reactive charge-transfer states from the spectroscopic states of the acridine-water complex have been characterized by the calculation of two-dimensional relaxed potential-energy surfaces as functions of the H atom-transfer coordinate and the donor (O)-acceptor (N) distance. When populated, these charge-transfer states drive the transfer of a proton from the water molecule to acridine, which results in the acridinyl-hydroxyl biradical. The same computational methods were employed to explore the photochemistry of the (N-hydrogenated) acridinyl radical. The latter possesses low-lying (about 3.0 eV) ππ* excited states with appreciable oscillator strengths in addition to a low-lying dark ππ* excited state. The bound potential-energy functions of the ππ* excited states are predissociated by the potential-energy function of an excited state of πσ* character which is repulsive with respect to the NH stretching coordinate. The dissociation threshold of the πσ* state is about 2.7 eV and thus below the excitation energies of the bright ππ* states. The conical intersections of the πσ* state with the ππ* excited states and with the electronic ground state provide a mechanism for the direct and fast photodetachment of the H atom from the acridinyl radical. These computational results indicate that the H2

  18. Direct Measurement of the Isomerization Barrier of the Isolated Retinal Chromophore

    DEFF Research Database (Denmark)

    Dilger, Jonathan; Musbat, Lihi; Sheves, Mordechai;

    2015-01-01

    Isomerizations of the retinal chromophore were investigated using the IMS-IMS technique. Four different structural features of the chromophore were observed, isolated, excited collisionally, and the resulting isomer and fragment distributions were measured. By establishing the threshold activatio...

  19. Manipulating Excited-State Dynamics of Individual Light-Harvesting Chromophores through Restricted Motions in a Hydrated Nanoscale Protein Cavity.

    Science.gov (United States)

    Noriega, Rodrigo; Finley, Daniel T; Haberstroh, John; Geissler, Phillip L; Francis, Matthew B; Ginsberg, Naomi S

    2015-06-11

    Manipulating the photophysical properties of light-absorbing units is a crucial element in the design of biomimetic light-harvesting systems. Using a highly tunable synthetic platform combined with transient absorption and time-resolved fluorescence measurements and molecular dynamics simulations, we interrogate isolated chromophores covalently linked to different positions in the interior of the hydrated nanoscale cavity of a supramolecular protein assembly. We find that, following photoexcitation, the time scales over which these chromophores are solvated, undergo conformational rearrangements, and return to the ground state are highly sensitive to their position within this cavity and are significantly slower than in a bulk aqueous solution. Molecular dynamics simulations reveal the hindered translations and rotations of water molecules within the protein cavity with spatial specificity. The results presented herein show that fully hydrated nanoscale protein cavities are a promising way to mimic the tight protein pockets found in natural light-harvesting complexes. We also show that the interplay between protein, solvent, and chromophores can be used to substantially tune the relaxation processes within artificial light-harvesting assemblies in order to significantly improve the yield of interchromophore energy transfer and extend the range of excitation transport. Our observations have implications for other important, similarly sized bioinspired materials, such as nanoreactors and biocompatible targeted delivery agents. PMID:26035585

  20. The effect of monensin concentration on dry matter intake, ruminal fermentation, short-chain fatty acid absorption, total tract digestibility, and total gastrointestinal barrier function in beef heifers.

    Science.gov (United States)

    Wood, K M; Pinto, A C J; Millen, D D; Kanafany Guzman, R; Penner, G B

    2016-06-01

    In a 4 × 4 Latin square design (24-d periods), 4 ruminally cannulated Hereford × Angus/Simmental heifers were used to evaluate the effect of increasing levels of monensin concentration on DMI, ruminal fermentation, short-chain fatty acid (SCFA) absorption across the reticulorumen, and total tract barrier function. Heifers were fed a barley-based finishing diet (76% rolled barley grain, 12% barley silage, 8% mineral and vitamin supplement, and 4% canola meal) containing 0, 22, 33 or 48 mg/kg monensin. Urinary recovery of Cr-EDTA was used as an indicator of total tract barrier function (d 18 to 20). Days 20 to 23 were used to evaluate ruminal fermentation and total tract digestibility measurements, and SCFA absorption was measured using the temporarily isolated and washed reticulorumen technique on d 24. Data were analyzed using PROC MIXED of SAS with linear and quadratic contrasts to evaluate the effect of increasing monensin dose. Increasing monensin linearly decreased DMI (10.0, 9.9, 9.3, and 9.1 kg/d for diets containing 0, 22, 33 or 48 mg/kg monensin, respectively; = 0.01) but did not affect the variation in DMI among days. Urinary Cr-EDTA recovery was not ( ≥ 0. 61) affected by increasing dose of monensin, nor was ruminal pH (mean, minimum, maximum, duration less than 5.5, and area under curve; ≥ 0.21). The acetate-to-propionate ratio linearly decreased (1.9, 1.8, 1.4, and 1.3 for diets containing 0, 22, 33 or 48 mg/kg monensin, respectively; = 0.03) with increasing monensin. There was no response ( ≥ 0. 17) for the rate of SCFA absorption with monensin concentration. Total tract ethanol soluble carbohydrate digestibility linearly increased (77.2, 84.7, 88.0, and 94.0% for diets containing 0, 22, 33 or 48 mg/kg monensin, respectively; = 0.003) whereas starch digestibility quadratically responded (93.8, 93.9, 88.0, and 94.0% for diets containing 0, 22, 33 or 48 mg/kg monensin, respectively; < 0.001), where 33 mg/kg inclusion of monensin had a minimal

  1. Donor-Acceptor Chromophores based on Acetylenic Scaffolds and Indenofluorenes

    DEFF Research Database (Denmark)

    Christensen, Mikkel Andreas

    The work described in this thesis has been focused on synthesizing donor-acceptor chromophores with conjugated π-bridges. It has also led to the development of an alternative synthetic tool for acetylenic scaffolding. The first chapter focuses on the nitrophenol D-π-A system – A phenol in...

  2. Guidance for Mutual Disposition of Chromophores for Singlet Fission

    Czech Academy of Sciences Publication Activity Database

    Havlas, Zdeněk; Michl, Josef

    2016-01-01

    Roč. 56, č. 1 (2016), s. 96-106. ISSN 0021-2148 R&D Projects: GA ČR GA15-19143S Institutional support: RVO:61388963 Keywords : chromophores * energy transfer * photophysics * singlet fission * theory Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.221, year: 2014

  3. Chromosphores in cellulosics, XI: isoloation and identification of residual chromophores from bacterial cellulose

    Science.gov (United States)

    In the present work, bacterial cellulose (BC) was analyzed for its chromophore content with the chromophore release and identification (CRI) method. In aged BC, seven chromophores were unambiguously identified, despite their very low (ppb) presence. The compounds contain 2-hydroxy-[1,4]benzoquinone,...

  4. Synthesis and nonlinear optical properties of copolymers of fluoro-containing bisphenol A and chromophores

    Institute of Scientific and Technical Information of China (English)

    Jie Ping Shi; Hui Yang; Li Wei; Hong Wen Hu; Guo Yuan Lu

    2011-01-01

    A series of new fluoro-containing copolymers have been synthesized by a Mitsunobu reaction with 4,4'-(hexafluoro-isopropylidene)bisphenol A (6FBPA) and the corresponding N, N-dihydroxyethylaminoaryl azo or ring-locked triene compounds, which have high thermal stability and good solubility in organic solvents. The nonlinear optical (NLO) measurements made by Marker fringe method at 1064 nm indicate that the copolymers embedded with the ring-locked triene and azo chromophores exhibit higher macroscopic nonlinear optical coefficient (70.2 pm/V and 26.5-34.6 pm/V, respectively). Thermal analysis and UV-visible absorption spectra show that the copolymers have good thermal stability (Td = 264-319 ℃) and optical transparency (λmax<500nm).

  5. Alphabet-Inspired Design of (Hetero)Aromatic Push-Pull Chromophores.

    Science.gov (United States)

    Klikar, Milan; Solanke, Parmeshwar; Tydlitát, Jiří; Bureš, Filip

    2016-08-01

    Push-pull molecules represent a unique and fascinating class of organic π-conjugated materials. Herein, we provide a summary of their recent extraordinary design inspired by letters of the alphabet, especially focusing on H-, L-, T-, V-, X-, and Y-shaped molecules. Representative structures from each class were presented and their fundamental properties and prospective applications were discussed. In particular, emphasis is given to molecules recently prepared in our laboratory with T-, X-, and Y-shaped arrangements based on indan-1,3-dione, benzene, pyridine, pyrazine, imidazole, and triphenylamine. These push-pull molecules turned out to be very efficient charge-transfer chromophores with tunable properties suitable for second-order nonlinear optics, two-photon absorption, reversible pH-induced and photochromic switching, photocatalysis, and intercalation. PMID:27272649

  6. Water-Soluble NIR-Absorbing Rylene Chromophores for Selective Staining of Cellular Organelles.

    Science.gov (United States)

    Kaloyanova, Stefka; Zagranyarski, Yulian; Ritz, Sandra; Hanulová, Mária; Koynov, Kaloian; Vonderheit, Andreas; Müllen, Klaus; Peneva, Kalina

    2016-03-01

    Biocompatible organic dyes emitting in the near-infrared are highly desirable in fluorescence imaging techniques. Herein we report a synthetic approach for building novel small peri-guanidine-fused naphthalene monoimide and perylene monoimide chromophores. The presented structures possess near-infrared absorption and emission, high photostability, and good water solubility. After a fast cellular uptake, they selectively stain mitochondria with a low background in live and fixed cells. They can be additionally modified in a one-step reaction with functional groups for covalent labeling of proteins. The low cytotoxicity allows a long time exposure of live cells to the dyes without the necessity of washing. Successful application in localization super-resolution microscopy was demonstrated in phosphate-buffered saline without any reducing or oxidizing additives. PMID:26891229

  7. Cooperativity and Site-Selectivity of Intramolecular Hydrogen Bonds on the Fluorescence Quenching of Modified GFP Chromophores.

    Science.gov (United States)

    Chang, Deng-Hsiang; Ou, Chun-Lin; Hsu, Hung-Yu; Huang, Guan-Jhih; Kao, Chen-Yi; Liu, Yi-Hung; Peng, Shie-Ming; Diau, Eric Wei-Guang; Yang, Jye-Shane

    2015-12-18

    This paper provides the first example of experimentally characterized hydrogen-bond cooperativity on fluorescence quenching with a modified green fluorescence protein (GFP) chromophore that contains a 6-membered C═N···H-O and a 7-membered C═O···H-O intramolecular H-bonds. Variable-temperature (1)H NMR and electronic absorption and emission spectroscopies were used to elucidate the preference of intra- vs intermolecular H-bonding at different concentrations (1 mM and 10 μM), and X-ray crystal structures provide clues of possible intermolecular H-bonding modes. In the ground state, the 6-membered H-bond is significant but the 7-membered one is rather weak. However, fluorescence quenching is dominated by the 7-membered H-bond, indicating a strengthening of the H-bond in the excited state. The H-bonding effect is more pronounced in more polar solvents, and no intermediates were observed from femtosecond fluorescence decays. The fluorescence quenching is attributed to the occurrence of diabatic excited-state proton transfer. Cooperativity of the two intramolecular H-bonds on spectral shifts and fluorescence quenching is evidenced by comparing with both the single H-bonded and the non-H-bonded counterparts. The H-bond cooperativity does not belong to the conventional patterns of σ- and π-cooperativity but a new type of polarization interactions, which demonstrates the significant interplay of H-bonds for multiple H-bonding systems in the electronically excited states. PMID:26583964

  8. Concentrations and light absorption characteristics of carbonaceous aerosol in PM2.5 and PM10 of Lhasa city, the Tibetan Plateau

    Science.gov (United States)

    Li, Chaoliu; Chen, Pengfei; Kang, Shichang; Yan, Fangping; Hu, Zhaofu; Qu, Bin; Sillanpää, Mika

    2016-02-01

    Light absorption properties of carbonaceous aerosol strongly influence the Earth's radiative balance, yet the related knowledge is limited for the Tibetan Plateau (TP), the highest and largest plateau in the world. In this study, organic carbon (OC), elemental carbon (EC) and water soluble organic carbon (WSOC) of PM2.5 and PM10 of Lhasa collected from May 2013 to March 2014 were studied. It showed that daily-average concentrations of OC, EC and WSOC of PM2.5 and PM10 were lower than those of other megacities. Lhasa PM2.5 was characterized by low OC/EC ratio (1.46 ± 0.55), which was similar to that of Lhasa roadside PM2.5 (1.25 ± 0.45), reflecting mainly direct influence of primary emissions and less secondary formation. Hence, although Lhasa atmosphere is relatively clean, it is intensively influenced by local vehicle emissions. Mass absorption cross-section of EC (MACEC) for both PM2.5 and PM10 at 632 nm were 7.19 ± 1.19 m2 g-1 and 7.98 ± 2.32 m2 g-1, respectively, both of which had similar variation patterns to OC/EC and secondary OC (SOC)/OC, indicating that the increase of MACEC might be caused by coating with organic aerosol. Additionally, the loading of EC for both PM2.5 and PM10 showed logarithmic relationships with those of optical attenuation (ATN) of EC, implying that the shadowing effect enhanced logarithmic with increased EC concentration. MAC of WSOC at 365 nm for PM2.5 (0.74 ± 0.22 m2 g-1) and PM10 (0.78 ± 0.21 m2 g-1) were also close to reported values of other cities mainly influenced by fossil combustion. Additionally, attenuation at 365 nm of WSOC of both PM2.5 and PM10 showed the same relationship with their WSOC concentrations, implying no difference for light absorption properties of WSOC for these two grain sizes.

  9. Effect of preduodenal lipase inhibition in suckling rats on dietary octanoic acid (C8:0) gastric absorption and plasma octanoylated ghrelin concentration.

    Science.gov (United States)

    Lemarié, F; Cavalier, J-F; Garcia, C; Boissel, F; Point, V; Catheline, D; Legrand, P; Carrière, F; Rioux, V

    2016-09-01

    Part of medium chain fatty acids (MCFAs) coming from dietary triglycerides (TGs) can be directly absorbed through the gastric mucosa after the action of preduodenal lipase (lingual lipase in the rat). MCFA gastric absorption, particularly that of octanoic acid (C8:0), may have a physiological importance in the octanoylation of ghrelin, the orexigenic gastric peptide acting as an endogenous ligand of the hypothalamic growth hormone secretagogue receptor 1a (GHSR-1a). However, the amount of C8:0 absorbed in the stomach and its metabolic fate still haven't been clearly characterized. The purpose of the present study was to further characterize and quantify the importance of preduodenal lipase activity on the release and gastric absorption of dietary C8:0 and on the subsequent ghrelin octanoylation in the stomach mucosa. Fifteen days old rats received fat emulsions containing triolein or [1,1,1-(13)C]-Tri-C8:0 and a specific inhibitor of preduodenal lipase, 5-(2-(benzyloxy)ethoxy)-3-(3-phenoxyphenyl)-1,3,4-oxadiazol-2(3H)-one or BemPPOX. The fate of the (13)C-C8:0 was followed in rat tissues after 30 and 120min of digestion and octanoylated ghrelin was measured in the plasma. This work (1) demonstrates that part of C8:0 coming from Tri-C8:0 is directly absorbed at the gastric level, (2) allows the estimation of C8:0 gastric absorption level (1.3% of the (13)C-C8:0 in sn-3 position after 30min of digestion), as well as (3) the contribution of rat lingual lipase to total lipolysis and to duodenal absorption of dietary FAs (at least 30%), (4) shows no short-term effect of dietary Tri-C8:0 consumption and subsequent increase of C8:0 gastric tissue content on plasma octanoylated ghrelin concentration. PMID:27317984

  10. Sorption of trace metals on fish scales and application for lead and cadmium pre-concentration with flame atomic absorption determination

    International Nuclear Information System (INIS)

    Ground fish scales were characterized as a solid phase extraction medium for pre-concentraction of parts per billion levels of transition elemets prior thier flame atomic absorption spectroscopic (FAAS) determination. At the indicated optimum pH, sorption follows the order Cd2+ (pH 7.0)≥ ph2+ (ph 5.5) > Fe3+ (pH 4.8)> Cu2+ > Zn2+ (pH 6.0)> Ni2+ (pH 7.5)> Mn2+ (ph 8.5)> Cr3+ (pH 4.8). At pH 5.5, following 60-minutes of equilibration of the adsorbent with the aquenous meteal ion solution sorption of Ph and Cd were 97% to 93% depending on the metel concentration. sorption of other metal ions at pH 5.5 ranged between 80% for Cu2+ and 26% for Mn2+ but equilibration time was much longer than 60 minutes. Application of the data on langmuir and Freundlich equations revealed that the Freundlich isotherm better suited the adsorption data. fish scales were used for about 47 fold pre-concentraction of Cd and Pb from wastewater samples, which was followed by leaching the adsorbed matals with 0.01M ethylenediamine tetra acetic acid solution and FAAS determination. The proposed method is capable of determining Pb and Cd in wastewaters with a detection limits of 1.2 μg l-'1 and 0.6μg l'-'1, respectively. Compared with direct determination of Pb and Cd by graphite furnace atomic absorption spectroscopy (GFAAS), the proposed pre-concentration method resulted in comparable accuracy and precision of less than 3.5% relative standard deviation.

  11. Extension of Light-Harvesting Ability of Photosynthetic Light-Harvesting Complex 2 (LH2) through Ultrafast Energy Transfer from Covalently Attached Artificial Chromophores.

    Science.gov (United States)

    Yoneda, Yusuke; Noji, Tomoyasu; Katayama, Tetsuro; Mizutani, Naoto; Komori, Daisuke; Nango, Mamoru; Miyasaka, Hiroshi; Itoh, Shigeru; Nagasawa, Yutaka; Dewa, Takehisa

    2015-10-14

    Introducing appropriate artificial components into natural biological systems could enrich the original functionality. To expand the available wavelength range of photosynthetic bacterial light-harvesting complex 2 (LH2 from Rhodopseudomonas acidophila 10050), artificial fluorescent dye (Alexa Fluor 647: A647) was covalently attached to N- and C-terminal Lys residues in LH2 α-polypeptides with a molar ratio of A647/LH2 ≃ 9/1. Fluorescence and transient absorption spectroscopies revealed that intracomplex energy transfer from A647 to intrinsic chromophores of LH2 (B850) occurs in a multiexponential manner, with time constants varying from 440 fs to 23 ps through direct and B800-mediated indirect pathways. Kinetic analyses suggested that B800 chromophores mediate faster energy transfer, and the mechanism was interpretable in terms of Förster theory. This study demonstrates that a simple attachment of external chromophores with a flexible linkage can enhance the light harvesting activity of LH2 without affecting inherent functions of energy transfer, and can achieve energy transfer in the subpicosecond range. Addition of external chromophores, thus, represents a useful methodology for construction of advanced hybrid light-harvesting systems that afford solar energy in the broad spectrum. PMID:26403467

  12. Development of a new methodology for the retrieval of in-situ stratospheric trace gases concentration from airborne limb-absorption measurements

    Science.gov (United States)

    Petritoli, Andrea; Giovanelli, Giorgio; Ravegnani, Fabrizio; Bortoli, Daniele; Kostadinov, Ivan K.; Castelli, Elisa; Bonafe, U.; Oulanovsky, A.; Yushkov, Vladimir

    2002-01-01

    The UV-Vis DOAS spectrometer GASCOD/A4p (Gas Analyzer Spectrometer Correlating Optical Differences, Airborne version) was installed on board the stratospheric Geophysica aircraft during the APE-THESEO and APE-GAIA campaign in February-March and September-October 1999 respectively. The instrument is provided by five input windows, three of which measure scattered solar radiation from the zenith and from two horizontal windows, 90 degree(s) away from the zenith to perform limb-absorption measurements. Spectra from 290 to 700 nm were processed through DOAS technique to obtain trace gases column amounts. Data from horizontal windows, which are performed for the first time from an airborne spectrometer, are used to retrieve an average concentration of the gases along a characteristic length of the line of sight. An atmospheric Air Mass Factor model (AMEFCO) is used to calculate the probability density function and the characteristic length used to reduce the slant column amounts to in-situ concentration values. The validation of the method is performed through a comparison of the values obtained, with a in-situ chemiluminescent ozone analyzer (FOZAN) which performed synchronous measurements on board Geophysica aircraft. Data from the APE-GAIA campaign was presented and discussed.

  13. Supramolecular Packing Controls H₂ Photocatalysis in Chromophore Amphiphile Hydrogels.

    Science.gov (United States)

    Weingarten, Adam S; Kazantsev, Roman V; Palmer, Liam C; Fairfield, Daniel J; Koltonow, Andrew R; Stupp, Samuel I

    2015-12-01

    Light harvesting supramolecular assemblies are potentially useful structures as components of solar-to-fuel conversion materials. The development of these functional constructs requires an understanding of optimal packing modes for chromophores. We investigated here assembly in water and the photocatalytic function of perylene monoimide chromophore amphiphiles with different alkyl linker lengths separating their hydrophobic core and the hydrophilic carboxylate headgroup. We found that these chromophore amphiphiles (CAs) self-assemble into charged nanostructures of increasing aspect ratio as the linker length is increased. The addition of salt to screen the charged nanostructures induced the formation of hydrogels and led to internal crystallization within some of the nanostructures. For linker lengths up to seven methylenes, the CAs were found to pack into 2D crystalline unit cells within ribbon-shaped nanostructures, whereas the nine methylene CAs assembled into long nanofibers without crystalline molecular packing. At the same time, the different molecular packing arrangements after charge screening led to different absorbance spectra, despite the identical electronic properties of all PMI amphiphiles. While the crystalline CAs formed electronically coupled H-aggregates, only CAs with intermediate linker lengths showed evidence of high intermolecular orbital overlap. Photocatalytic hydrogen production using a nickel-based catalyst was observed in all hydrogels, with the highest turnovers observed for CA gels having intermediate linker lengths. We conclude that the improved photocatalytic performance of the hydrogels formed by supramolecular assemblies of the intermediate linker CA molecules likely arises from improved exciton splitting efficiencies due to their higher orbital overlap. PMID:26593389

  14. Supramolecular clippers for controlling photophysical processes through preorganized chromophores.

    Science.gov (United States)

    Kumar, Mohit; Ushie, Onumashi Afi; George, Subi J

    2014-04-22

    A novel supramolecular clipping design for influencing the photophysical properties of functional molecular assemblies, by the preorganization (clipping) of chromophores, is described. Several chromophores end functionalized with molecular recognition units were designed. These molecular recognition units serve as handles to appropriately position these systems upon noncovalent interactions with multivalent guest molecules (supramolecular clippers). Towards this goal, we have synthesized 1,5-dialkoxynaphthalene (DAN) and naphthalenediimide (NDI) functionalized with dipicolylethylenediamine (DPA) motifs. These molecules could preorganize upon noncovalent clipping with adenosine di- or triphosphates, which resulted in preassociated excimers and mixed (cofacial) charge-transfer (CT) assemblies. Chiral guest binding could also induce supramolecular chirality, not only into the individual chromophoric assembly but also into the heteromeric CT organization, as seen from the strong circular dichroism (CD) signal of the CT transition. The unique ability of this design to influence the intermolecular interactions by changing the binding strength of the clippers furthermore makes it very attractive for controlling the bimolecular photophysical processes. PMID:24623564

  15. A two-phase theoretical study of Al2O3-water nano-fluid flow inside a concentric pipe with heat generation/absorption

    International Nuclear Information System (INIS)

    Convective heat transfer and pressure drop characteristics of Al2O3-water nano-fluid inside a concentric pipe with constant heat flux boundary conditions at the both walls is investigated theoretically. The employed model for nano-fluid includes the two-phase modified Buongiorno model that fully accounts for the effects of nanoparticle volume fraction distribution. Due to the nanoparticles migration in the fluid, the no-slip condition of the fluid-solid interface at the pipe walls is abandoned in favor of a slip condition which appropriately represents the non-equilibrium region near the interface. Governing equations were transformed into a system of ordinary ones via the similarity variables and solved numerically. The effects of heat generation/absorption σ, slip parameter λ, and heat flux ratio e on nanoparticle volume fraction, velocity, temperature, heat transfer coefficient at both walls, and the dimensionless pressure gradient have been investigated in detail. The results obtained indicated that the nanoparticles move from the wall with higher heating energy towards the wall with lower heating energy (along the temperature gradient) due to the thermo-phoretic force. This non-uniform distribution of nanoparticles at the cross section of the pipe, pushes the peak of the axial velocity from the wall with lower heating energy towards the wall with higher heating energy. In addition, slip velocity at the pipe walls enhances heat transfer coefficient and increase the dimensionless pressure gradient ratio. Moreover, the changes of the heat transfer coefficient enhancement in the case of heat generation is much more that in the case of heat absorption, for low values of ratio of Brownian diffusivity to thermo-phoretic diffusivities NBT. (authors)

  16. Preparation and third-order nonlinear optical property of poly(urethane-imide containing dispersed red chromophore

    Directory of Open Access Journals (Sweden)

    2008-11-01

    Full Text Available A novel poly(urethane-imide (PUI containing dispersed red chromophore was synthesized. The PUI was characterized by FT-IR, UV-Vis, DSC and TGA. The results of DSC and TGA indicated that the PUI exhibited high thermal stability up to its glass-transition temperature (Tg of 196°C and 5% heat weight loss temperature of 229°C. According to UV-Vis spectrum and working curve, the maximum molar absorption coefficient and absorption wavelength were measured. They were used to calculate the third-order nonlinear optical coefficient χ(3. At the same time, the chromophore density of PUI, nonlinear refractive index coefficient and molecular hyperpolarizability of PUI were obtained. The fluorescence spectra of PUI and model compound DR-19 were determined at excitation wavelength 300 nm. The electron donor and acceptor in polymer formed the exciplex through the transfer of the electric charges. The results show that the poly(urethane-imide is a promising candidate for application in optical devices.

  17. Multipixel spectral imaging of green fluorescent protein (GFP) in COS-7 cells: folding kinetics and chromophore formation

    Science.gov (United States)

    Greenbaum, Lior; Rothmann, Chana; Hanania, Judith; Malik, Zvi

    2000-12-01

    Spectrally resolved imaging of Green fluorescent protein (GFP) expressed in living COS-7 kidney cells distinguished the subcellular localization and demarcated the processes of protein folding and chromophore formation. COS-7 kidney cells were transfected by a plasmid pEGFP-N1 plasmid followed by incubation for 15 hours for gen expression. At different intervals the cells were examined by fluorescence microscopy and analyzed by a spectral imaging system. After 7 hours, GFP was detected in the cytoplasm, concentrated in a localized form. Spectra of the initial GFP evinced several components that belong both tot he typical fluorescent signal as well as to unspecific fingerprints. At 10 and 15 hours, GFP was seen spread in the cytoplasm as well as in the nucleus, and the specific spectra of the GFP were dominant at the later time. The typical GFP spectral fingerprint is the result of protein folding and chromophore formation following internal oxidation reactions. This folding and chromophore formation process, up to final conformation, was detected by spectral imaging as localized in the nucleus rather than in the cytosol. Thus, the method of fluorescence microscopy combined with multiplex spectral imaging demonstrates distinct biochemical pathways leading to GFP conformation.

  18. Impact of thermal and organic acid treatment of feed on apparent ileal mineral absorption, tibial and liver mineral concentration, and tibia quality in broilers.

    Science.gov (United States)

    Hafeez, A; Mader, A; Boroojeni, F Goodarzi; Ruhnke, I; Röhe, I; Männer, K; Zentek, J

    2014-07-01

    Minerals play an important role for growth and bone stability in broilers. Thermal treatment and inclusion of organic acids in feed may affect the mineral absorption and tibial quality in broilers. The study was conducted to investigate the effect of thermal processing of feed including pelleting (P), long-term conditioning at 85°C (L), and expanding at 130°C (E) without and with 1.5% of an acid mixture containing 64% formic and 25% propionic acid on the apparent ileal absorption (AIA) of calcium, phosphorus, magnesium, potassium, sodium, iron, copper, manganese, and zinc, their concentrations in liver and tibia, as well as various tibial quality parameters in broilers. In total, 480 one-day-old Cobb broiler chicks were assigned using a completely randomized design with a 3 × 2 factorial arrangement. The ileal digesta, liver, and tibia were collected at d 35. The AIA of calcium and sodium was improved in group E compared with L (P ≤ 0.02 and P ≤ 0.01). Group P and E showed higher AIA for potassium than L (P ≤ 0.01). Bone ash content was increased in group E compared with L (P ≤ 0.04). The BW to bone weight ratio was lower and tibial zinc content was higher in group P compared with E (P ≤ 0.05). Tibial iron content was higher in group L than E (P ≤ 0.03). Acid addition did not affect AIA, mineral content in tibia, or tibial quality parameters. Thermal and acid treatment did not affect mineral concentrations in the liver, except an inconsistent interaction effect for DM content and sodium (P ≤ 0.03 and P ≤ 0.04, respectively). In conclusion, long-term thermal treatment reduced AIA of some minerals compared with short-term thermal treatments, but had no impact on tibia composition. Acid inclusion had no effect on AIA of minerals and tibia quality. Thermal treatment and the use of organic acids can therefore be considered as safe with regard to their impact on bone development in broilers. PMID:24864282

  19. Estimation of the contribution of chromophoric dissolved organic matter to total light absorption by remote sensing in Lake Taihu%太湖有色溶解有机物对水体总吸收贡献的遥感估算

    Institute of Scientific and Technical Information of China (English)

    姜广甲; 马荣华; 段洪涛

    2012-01-01

    Chromophnric dissolved organic matter (CDOM) mainly absorbs light in water which may influence the nature water color in lakes. Its absorption and photochemical degradation products play an important role in the primary productivity of water and carbon cycle. In Lake Taihu, a total of 333 sites were sampled in October 2004, October 2008 , April 2010 and January and March 2011 to analyze the contribution of CDOM to tolal light absorption und estimate [aCDOM/a1] (412 ) from remote sensing. It was found that the average of [ Ocdom/a1] (412) exhibited highly temporal variations during the five cruises. The maximum (0. 369) was determined in 2011 , comparing with all samples in Lake Taihu (0. 295 ±0. 139). The minimum average of [aCDOM\\a1] (412) in the dalaset 201004 was 0. 236 ± 0. 108 , varing from 0.046 to 0.455. No significant difference was observed in the data-set 200410 and 200810. The mean of [aCDOM/a1 ] ( 412) in Zhushan Bay was higher than that in both whole Lake Taihu and Meil lang Bay, For Meiliang Bay, it had almost the same value with the whole lake. A multi-band algorithm was adopted to estimate the [aCDOM/a1] (412) by remote sensing and acceptable results were detected (n =333, RMSE = 34. 60% ). Suspended sediments and pigments had an important impact on determination of [aCDOM/a1] (412) from remote sensing. It was underestimated because of pigments and overestimated as the suspended sediments in water and the latter was worse. Tile results also showed that the CDOM and detritus optically dominate thp water color in Lake Taihu.%有色溶解有机物(CDOM)是决定自然水体水色的主要溶解物质,其吸光能力和光化降解产物对水体初级生产力和碳循环过程具有重要影响.以太湖为研究区,2004年10月、2008年10月、2010年4月和2011年1月和3月共5期实测数据,采集了333个有效样点,分析不同时期CDOM对水体总吸收的贡献,并利用遥感技术估算[aCDOM/a1](412).结

  20. A New Class of Organic Luminophores With a stilbene Chromophore: 3-Phenylmethylene-1(3-H) Isobenzofuranones

    Science.gov (United States)

    Nikolov, Peter; Fratev, Filip; Minchev, Stoyan

    1983-02-01

    A new class of luminophores with a stilbene chromophore, 3-phenylmethylene-1(3H)-iso-benzofuranones (BPH's), has been investigated. The fluorescence occurs in the region 26000-16000 cm-1, the maximal quantum yield being about 0.6. As a result of substitution or higher polarity of the solvent the ππ* state of the BPH's separates from the fluorescently inactive nπ* state. The S0-S2 absorption transition of the BPH's results from an excitation which is practically localized in the stilbene fragment. The good linear correlation of the fluorescence and absorption maxima and O-O transitions in ethanol with the σp-Hammett constants has been used for an interpretation of the changes in the potential hyperfaces of S0 and S1 states.

  1. Nonlinear optical properties for a class of hexa-peri-hexabenzocoronene chromophores: a computational investigation.

    Science.gov (United States)

    Liu, Xiao-Ting; Guo, Jing-Fu; Ren, Ai-Min; Huang, Shuang; Feng, Ji-Kang

    2012-10-28

    The systematic investigation of the linear and nonlinear optical properties on such a class of hexa-peri-hexabenzocoronene (HBC) chromophores is of significance for rationally designing two-photon absorption (TPA) materials. The results indicate that increasing the strength of electron-donating or accepting terminal groups leads to bathochromic-shift of the absorption band and enhancement of the TPA cross section (δ(max)). For the molecules with fluorinated methylene and cyano substituents, replacement of a double bond by a triple bond in the conjugated linker produces the increase of δ(max), owing to the lower bond-length alternation and better rigidity of phenylene-ethynylene. In contrast, for the molecules with nitro groups, the similar replacement results in a slight decrease of δ(max) because N-HBC-E-NO2 has excellent planarity architecture and effective electronic coupling. The TPA spectra are red-shifted and the δ(max) values are enhanced as the number of branches increases. Thus, a solvatochromism effect has a positive influence on the TPA response of the nitryl compounds due to larger polarization of the nitro moiety. We have shed light on the linear relationship between the first hyperpolarizability and δ(max). These HBC derivatives hold potential as high-performance nonlinear optical materials. PMID:22940778

  2. Action spectra and chromophores for lethal photosensitization of Candida albicans by DNA monoadducts formed by 8-methoxypsoralen and monofunctional furocoumarins

    International Nuclear Information System (INIS)

    The red-shift furocoumarin action spectra, compared with their absorption spectra, has been investigated. An action spectrum for 8-methoxypsoralen (8-Mop) monoadduct formation in the yeast Candida albicans has been determined. The yeast cells were initially exposed to sublethal doses of monochromatic UV A at different wavelengths. Monoadduct formation was monitored by growth inhibition induced, after washing out any unbound 8-Mop, by re-irradiation with a constant second (non-lethal) dose of 330 nm radiation. A comparison between this action spectrum and the absorption spectrum of the dark complex of 8-Mop and DNA was made. In addition, the action spectra of monoadduct formation of five monofunctional compounds including a coumarin derivative have been determined. These action spectra were compared with their respective DNA dark complex absorption spectra. In general, the peaks of the furocoumarin DNA dark complexes show a red-shift when compared with the free furocoumarin molecule and the action spectra show peaks which correspond with the peaks of the dark complexes. Such data indicate that the DNA dark complex is the chromophore for growth inhibition in yeast rather than the free furocoumarin. The similarity of the 8-Mop monoadduct formation spectrum and 8-Mop action spectra suggests that spectral dependence for the photobiological effects (including the red-shift) is dependent on monoadduct formation rather than, as previously suggested by several authors, crosslink formation. The action spectrum for the coumarin derivative 4-methyl N-ethylpyrrolo (3,2-g) coumarin (PCNEt) correlated well with the free molecule absorption spectrum rather than DNA dark complex indicating that the free molecule is the chromophore. This was supported by studies which showed that PCNEt photosensitization is oxygen dependent. (author). 38 refs., 3 tabs., 7 figs

  3. Isotope concentrations from 24-h urine and 3-h serum samples can be used to measure intestinal magnesium absorption in postmenopausal women.

    Science.gov (United States)

    Hansen, Karen E; Nabak, Andrea C; Johnson, Rachael Erin; Marvdashti, Sheeva; Keuler, Nicholas S; Shafer, Martin M; Abrams, Steven A

    2014-04-01

    Studies suggest a link between magnesium status and osteoporosis. One barrier to more conclusive research on the potential relation is measuring intestinal magnesium absorption (MgA), which requires the use of stable isotopes and a ≥6-d stool or 3-d urine collection. We evaluated alternative methods of measuring MgA. We administered 2 stable magnesium isotopes to 15 postmenopausal women (cohort 1) aged 62 ± 8 y with a dietary magnesium intake of 345 ± 72 mg/d. Participants fasted from 1200 h to 0700 h and then consumed breakfast with ∼23 mg of oral ²⁶Mg and ∼11 mg of i.v. ²⁵Mg. We measured magnesium isotope concentrations in 72-h urine, spot urine (36, 48, 60, and 72 h), and spot serum (1, 3, and 5 h) samples collected after isotope dosing. We calculated MgA using the dose-corrected fraction of isotope concentrations from the 72-h urine collection. We validated new methods in 10 postmenopausal women (cohort 2) aged 59 ± 5 y with a dietary magnesium intake of 325 ± 122 mg/d. In cohort 1, MgA based on the 72-h urine collection was 0.28 ± 0.08. The 72-h MgA correlated most highly with 0-24 h urine MgA value alone (ρ = 0.95, P MgA values. In cohort 2, Bland-Altman bias was lowest (-0.003, P = 0.82) using means of the 0-24 h urine and 3-h serum MgA values. We conclude that means of 0-24 h urine and 3-h serum MgA provide a reasonable estimate of 72-h MgA. However, if researchers seek to identify small changes in MgA, we recommend a 3-d urine or extended stool collection. PMID:24500940

  4. Simple hollow fiber renewal liquid membrane extraction method for pre-concentration of Cd(II) in environmental samples and detection by Flame Atomic Absorption Spectrometry

    International Nuclear Information System (INIS)

    A hollow fiber renewal liquid membrane (HFRLM) extraction method to determine cadmium (II) in water samples using Flame Atomic Absorption Spectrometry (FAAS) was developed. Ammonium O,O-diethyl dithiophosphate (DDTP) was used to complex cadmium (II) in an acid medium to obtain a neutral hydrophobic complex (ML2). The organic solvent introduced to the sample extracts this complex from the aqueous solution and carries it over the poly(dimethylsiloxane) (PDMS) membrane, that had their walls previously filled with the same organic solvent. The organic solvent is solubilized inside the PDMS membrane, leading to a homogeneous phase. The complex strips the lumen of the membrane where, at higher pH, the complex Cd-DDTP is broken down and cadmium (II) is released into the stripping phase. EDTA was used to complex the cadmium (II), helping to trap the analyte in the stripping phase. A multivariate procedure was used to optimize the studied variables. The optimized variables were: sample (donor phase) pH 3.25, DDTP concentration 0.05% (m/v), stripping (acceptor phase) pH 8.75, EDTA concentration 1.5 x 10-2 mol L-1, extraction temperature 40 deg. C, extraction time 40 min, a solvent mixture N-butyl acetate and hexane (60/40%, v/v) with a volume of 100 μL, and addition of ammonium sulfate to saturate the sample. The sample volume used was 20 mL and the stripping volume was 165 μL. The analyte enrichment factor was 120, limit of detection (LOD) 1.3 μg L-1, relative standard deviation (RSD) 5.5% and the working linear range 2-30 μg L-1.

  5. Determination of arsenic in ores, concentrates and related materials by graphite-furnace atomic-absorption spectrometry after separation by xanthate extraction.

    Science.gov (United States)

    M Donaldson, E

    1988-01-01

    A method for determining approximately 0.2 mug/g or more of arsenic in ores, concentrates and related materials is described. After sample decomposition arsenic(V) is reduced to arsenic(III) with titanium(III) and separated from iron, lead, zinc, copper, uranium, tin, antimony, bismuth and other elements by cyclohexane extraction of its xanthate complex from approximately 8-10M hydrochloric acid. After washing with 10M hydrochloric acid-2% thiourea solution to remove residual iron and co-extracted copper, followed by water to remove chloride, arsenic is stripped from the extract with 16M nitric acid and ultimately determined in a 2% nitric acid medium by graphite-furnace atomic-absorption spectrometry, at 193.7 nm, in the presence of thiourea (which eliminates interference from sulphate) and palladium as matrix modifiers. Small amounts of gold, platinum and palladium, which are partly co-extracted as xanthates under the proposed conditions, do not interfere. PMID:18964463

  6. Thermal modeling of a secondary concentrator integrated with an open direct-absorption molten-salt volumetric receiver in a beam-down tower system

    Science.gov (United States)

    Lahlou, Radia; Armstrong, Peter; Grange, Benjamin; Almheiri, Saif; Calvet, Nicolas; Slocum, Alexander; Shamim, Tariq

    2016-05-01

    An upward-facing three-dimensional secondary concentrator, herein termed Final Optical Element (FOE), is designed to be used in a beam-down tower in combination with an open volumetric direct-absorption molten-salt receiver tank acting simultaneously as a thermal energy storage system. It allows reducing thermal losses from the open receiver by decreasing its aperture area while keeping minimal spillage losses. The FOE is exposed to high solar fluxes, a part of which is absorbed by its reflector material, leading to material degradation by overheating. Consequently, the FOE may require active cooling. A thermal model of the FOE under passive cooling mechanism is proposed as a first step to evaluate its sensitivity to some design parameters. Then, it will be used to evaluate the requirements for the active cooling system. The model provides insights on the FOE thermal behavior and highlights the effectiveness of a design modification on passive cooling enhancement. First prototype tests under reduced flux and with no active cooling will be used for model adjustment.

  7. Microring resonators fabricated by electron beam bleaching of chromophore doped polymers

    International Nuclear Information System (INIS)

    Decomposition of chromophore molecules under direct electron beam irradiation reduces the refractive index of chromophore containing polymers. The induced refractive index contrast between the exposed and unexposed regions is high enough for waveguide bends of small radius and thus microring resonator devices. This electron beam bleaching of chromophore-containing polymers provides a fabrication approach for nonlinear polymer optical waveguide devices. Fabrication of high quality microring resonators with critical feature size on the order of 100 nm was demonstrated with this technique in an electro-optic polymer that contains YL124 chromophores

  8. Photoresponsive Block Copolymers Containing Azobenzenes and Other Chromophores

    Directory of Open Access Journals (Sweden)

    Takaomi Kobayashi

    2010-01-01

    Full Text Available Photoresponsive block copolymers (PRBCs containing azobenzenes and other chromophores can be easily prepared by controlled polymerization. Their photoresponsive behaviors are generally based on photoisomerization, photocrosslinking, photoalignment and photoinduced cooperative motions. When the photoactive block forms mesogenic phases upon microphase separation of PRBCs, supramolecular cooperative motion in liquid-crystalline PRBCs enables them to self-organize into hierarchical structures with photoresponsive features. This offers novel opportunities to photocontrol microphase-separated nanostructures of well-defined PRBCs and extends their diverse applications in holograms, nanotemplates, photodeformed devices and microporous films.

  9. Non-invasive measurement of chemotherapy drug concentrations in tissue: preliminary demonstrations of in vivo measurements

    International Nuclear Information System (INIS)

    Measurements of the tissue concentrations of two chemotherapy agents have been made in vivo on an animal tumour model. The method used is based on elastic-scattering spectroscopy (ESS) and utilizes a fibre-optic probe spectroscopic system. A broadband light source is used to acquire data over a broad range of wavelengths and, therefore, to facilitate the separation of absorptions from various chromophores. The results of the work include measurements of the time course of the drug concentrations as well as a comparison of the optical measurements with high-performance liquid chromatography (HPLC) analysis of the drug concentrations at the time of sacrifice. It is found that the optical measurements correlate linearly with HPLC measurements, but give lower absolute values. (author)

  10. Estimating absorption coefficients of colored dissolved organic matter (CDOM using a semi-analytical algorithm for Southern Beaufort Sea (Canadian Arctic waters: application to deriving concentrations of dissolved organic carbon from space

    Directory of Open Access Journals (Sweden)

    A. Matsuoka

    2012-10-01

    Full Text Available A series of papers have suggested that freshwater discharge, including a large amount of dissolved organic matter (DOM, has increased since the middle of the 20th century. In this study, a semi-analytical algorithm for estimating light absorption coefficients of the colored fraction of DOM (CDOM was developed for Southern Beaufort Sea waters using remote sensing reflectance at six wavelengths in the visible spectral domain corresponding to MODIS ocean color sensor. This algorithm allows to separate colored detrital matter (CDM into CDOM and non-algal particles (NAP by determining NAP absorption using an empirical relationship between NAP absorption and particle backscattering coefficients. Evaluation using independent datasets, that were not used for developing the algorithm, showed that CDOM absorption can be estimated accurately to within an uncertainty of 35% and 50% for oceanic and turbid waters, respectively. In situ measurements showed that dissolved organic carbon (DOC concentrations were tightly correlated with CDOM absorption (r2 = 0.97. By combining the CDOM absorption algorithm together with the DOC versus CDOM relationship, it is now possible to estimate DOC concentrations in the near-surface layer of the Southern Beaufort Sea using satellite ocean color data. DOC concentrations in the surface waters were estimated using MODIS ocean color data, and the estimates showed reasonable values compared to in situ measurements. We propose a routine and near real-time method for deriving DOC concentrations from space, which may open the way to an estimate of DOC budgets for Arctic coastal waters.

  11. Estimating absorption coefficients of colored dissolved organic matter (CDOM using a semi-analytical algorithm for southern Beaufort Sea waters: application to deriving concentrations of dissolved organic carbon from space

    Directory of Open Access Journals (Sweden)

    A. Matsuoka

    2013-02-01

    Full Text Available A series of papers have suggested that freshwater discharge, including a large amount of dissolved organic matter (DOM, has increased since the middle of the 20th century. In this study, a semi-analytical algorithm for estimating light absorption coefficients of the colored fraction of DOM (CDOM was developed for southern Beaufort Sea waters using remote sensing reflectance at six wavelengths in the visible spectral domain corresponding to MODIS ocean color sensor. This algorithm allows the separation of colored detrital matter (CDM into CDOM and non-algal particles (NAP through the determination of NAP absorption using an empirical relationship between NAP absorption and particle backscattering coefficients. Evaluation using independent datasets, which were not used for developing the algorithm, showed that CDOM absorption can be estimated accurately to within an uncertainty of 35% and 50% for oceanic and coastal waters, respectively. A previous paper (Matsuoka et al., 2012 showed that dissolved organic carbon (DOC concentrations were tightly correlated with CDOM absorption in our study area (r2 = 0.97. By combining the CDOM absorption algorithm together with the DOC versus CDOM relationship, it is now possible to estimate DOC concentrations in the near-surface layer of the southern Beaufort Sea using satellite ocean color data. DOC concentrations in the surface waters were estimated using MODIS ocean color data, and the estimates showed reasonable values compared to in situ measurements. We propose a routine and near real-time method for deriving DOC concentrations from space, which may open the way to an estimate of DOC budgets for Arctic coastal waters.

  12. Probing the Photodynamics of Rhodopsins with Reduced Retinal Chromophores.

    Science.gov (United States)

    Manathunga, Madushanka; Yang, Xuchun; Luk, Hoi Ling; Gozem, Samer; Frutos, Luis Manuel; Valentini, Alessio; Ferrè, Nicolas; Olivucci, Massimo

    2016-02-01

    While the light-induced population dynamics of different photoresponsive proteins has been investigated spectroscopically, systematic computational studies have not yet been possible due to the phenomenally high cost of suitable high level quantum chemical methods and the need of propagating hundreds, if not thousands, of nonadiabatic trajectories. Here we explore the possibility of studying the photodynamics of rhodopsins by constructing and investigating quantum mechanics/molecular mechanics (QM/MM) models featuring reduced retinal chromophores. In order to do so we use the sensory rhodopsin found in the cyanobacterium Anabaena PCC7120 (ASR) as a benchmark system. We find that the basic mechanistic features associated with the excited state dynamics of ASR QM/MM models are reproduced using models incorporating a minimal (i.e., three double-bond) chromophore. Furthermore, we show that ensembles of nonadiabatic ASR trajectories computed using the same abridged models replicate, at both the CASPT2 and CASSCF levels of theory, the trends in spectroscopy and lifetimes estimated using unabridged models and observed experimentally at room temperature. We conclude that a further expansion of these studies may lead to low-cost QM/MM rhodopsin models that may be used as effective tools in high-throughput in silico mutant screening. PMID:26640959

  13. Electron-transfer sensitization of H2 oxidation and CO2 reduction catalysts using a single chromophore.

    Science.gov (United States)

    La Porte, Nathan T; Moravec, Davis B; Hopkins, Michael D

    2014-07-01

    Energy-storing artificial-photosynthetic systems for CO2 reduction must derive the reducing equivalents from a renewable source rather than from sacrificial donors. To this end, a homogeneous, integrated chromophore/two-catalyst system is described that is thermodynamically capable of photochemically driving the energy-storing reverse water-gas shift reaction (CO2 + H2 → CO + H2O), where the reducing equivalents are provided by renewable H2. The system consists of the chromophore zinc tetraphenylporphyrin (ZnTPP), H2 oxidation catalysts of the form [Cp(R)Cr(CO)3](-), and CO2 reduction catalysts of the type Re(bpy-4,4'-R2)(CO)3Cl. Using time-resolved spectroscopic methods, a comprehensive mechanistic and kinetic picture of the photoinitiated reactions of mixtures of these compounds has been developed. It has been found that absorption of a single photon by broadly absorbing ZnTPP sensitizes intercatalyst electron transfer to produce the substrate-active forms of each. The initial photochemical step is the heretofore unobserved reductive quenching of the low-energy T1 state of ZnTPP. Under the experimental conditions, the catalytically competent state decays with a second-order half-life of ∼15 μs, which is of the right magnitude for substrate trapping of sensitized catalyst intermediates. PMID:24961370

  14. Syntheses and properties of two-dimensional charged nonlinear optical chromophores incorporating redox-switchable cis-tetraammineruthenium(II) centers.

    Science.gov (United States)

    Coe, Benjamin J; Harris, James A; Jones, Lathe A; Brunschwig, Bruce S; Song, Kai; Clays, Koen; Garín, Javier; Orduna, Jesús; Coles, Simon J; Hursthouse, Michael B

    2005-04-01

    In this article, we describe a series of new complex salts in which electron-donating cis-{Ru(II)(NH3)(4)}(2+) centers are connected to two electron-accepting N-methyl/aryl-pyridinium groups. These V-shaped complexes contain either monodentate 4,4'-bipyridyl-derived ligands or related chelates based on 2,2':4,4":4',4'''-quaterpyridyl and have been characterized by using various techniques including electronic absorption spectroscopy and cyclic voltammetry. Molecular quadratic nonlinear optical (NLO) responses beta have been determined by using hyper-Rayleigh scattering at 800 nm and also via Stark (electroabsorption) spectroscopic studies on the intense, visible d --> pi metal-to-ligand charge-transfer bands. These experiments reveal that these dipolar pseudo-C(2v)chromophores exhibit two substantial components of the beta tensor, beta(zzz)and beta(zyy), with the difference between them being most marked for the nonchelated systems. Time-dependent density-functional theory and finite field calculations serve to further illuminate the electronic structures and associated linear and NLO properties of the new chromophoric salts. PMID:15796549

  15. Synthesis and photochemistry of pH-sensitive GFP chromophore analogues

    Science.gov (United States)

    Nobel GFP chromophore analogues containing 2-thienyl-, 5-methyl-2-furyl-, 2-pyrryl, and 6-methyl-2-pyridyl-groups were synthesized, and their fluorescence spectra were recorded across pH range of 1 to 7. The GFP chromophores prevent photoisomerizaiton in acidic media and increase their fluorescent a...

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

    Science.gov (United States)

    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.

  17. Near-IR luminescent lanthanide complexes with 1,8-diaminoanthraquinone-based chromophoric ligands.

    Science.gov (United States)

    Stacey, Oliver J; Ward, Benjamin D; Amoroso, Angelo J; Pope, Simon J A

    2016-04-12

    Three new chromophoric anthraquinone-based multidentate ligands have been synthesised in a step-wise manner from 1,8-dichloroanthraquinone. The ligands each comprise two dipicolyl amine units and react with trivalent lanthanide ions to form monometallic complexes of the form [Ln(L)](OTf)3 as indicated by MS studies and elemental analyses. Supporting DFT studies show that the monometallic species are highly favoured (>1000 kJ mol(-1)) over the formation of a 2 : 2 dimetallic congener. Both ligands and complexes absorb light efficiently (ε ∼ 10(4) M(-1) cm(-1)) in the visible part of the spectrum, with λabsca. 535-550 nm through an intramolecular charge transfer (ICT) transition localised on the substituted anthraquinone unit. In all cases the complexes show a fluorescence band at ca. 675 nm due to the ICT emitting state. The corresponding Nd(iii), Yb(iii) and Er(iii) complexes also reveal sensitised near-IR emission characteristic of each ion following excitation of the ICT visible absorption band at 535 nm. PMID:26974664

  18. Molecular hyperpolarizabilities of push–pull chromophores: A comparison between theoretical and experimental results

    Energy Technology Data Exchange (ETDEWEB)

    Capobianco, A. [Dipartimento di Fisica E.R. Caianiello, Università di Salerno, via ponte don Melillo, I-84084 Fisciano (Italy); Centore, R. [Dipartimento di Chimica P. Corradini, Università di Napoli, via Cintia, I-80126 Napoli (Italy); Noce, C. [Dipartimento di Fisica E.R. Caianiello, Università di Salerno, via ponte don Melillo, I-84084 Fisciano (Italy); Peluso, A., E-mail: apeluso@unisa.it [Dipartimento di Chimica e Biologia, Università di Salerno, via ponte don Melillo, I-84084 Fisciano (Italy)

    2013-01-16

    Highlights: ► Electro-optical determined and MP2/DFT computed NLO properties have been compared. ► Significant dependence of dipole moments of elongated NLO chromophores on conformations has been found. ► A thorough comparison between MP2 and DFT/TD-DFT computational approaches has been carried out. ► The two-state model overestimates hyperpolarizability. - Abstract: Electric dipole moments and static first order hyperpolarizabilities of two push–pull molecules with an extended π electron systems have been evaluated at different computational levels and compared with the results of electro-optical absorption measurements, based on the two state model. Calculations show that: (i) the dipole moments of such elongated systems depend significantly on conformation, a thorough conformational search is necessary for a meaningful comparison between theoretical and experimental results; (ii) DFT methods, in particular CAM-B3LYP and M05-2X, yield dipole moments which compare well with those obtained by post Hartree–Fock methods (MP2) and by EOA measurements; (iii) theoretical first order hyperpolarizabilities are largely underestimated, both by MP2 and DFT methods, possibly because of the failure of two state model used in electro-optical measurements.

  19. Ultrafast dual photoresponse of isolated biological chromophores: link to the photoinduced mode-specific non-adiabatic dynamics in proteins

    DEFF Research Database (Denmark)

    Bochenkova, Anastasia; Andersen, Lars Henrik

    2013-01-01

    The anionic wild-type Green Fluorescent Protein (GFP) chromophore defines the entire class of naturally occurring chromophores, which are based on the oxydized tyrosine side chain. The GFP chromophore exhibits an enriched photoinduced non-adiabatic dynamics in the multiple excited-state decay......-adiabatic dynamics in the proteins....

  20. Changes in ruminal volatile fatty acid production and absorption rate during the dry period and early lactation as affected by rate of increase of concentrate allowance.

    Science.gov (United States)

    Dieho, K; Dijkstra, J; Schonewille, J T; Bannink, A

    2016-07-01

    The aim of the present experiment was to study changes in volatile fatty acid (VFA) production using an isotope dilution technique, and changes in VFA fractional absorption rate (kaVFA) using a buffer incubation technique (BIT) during the dry period and early lactation, as affected by the postpartum (pp) rate of increase of concentrate allowance. The current results are complementary to previously reported changes on rumen papillae morphology from the same experiment. From 50 d antepartum to 80 d pp, VFA production rate was measured 5 times and kaVFA was measured 10 times in 12 rumen-cannulated Holstein Friesian cows. Cows had free access to a mixed ration, consisting of grass and corn silage, soybean meal, and (dry period only) chopped straw. Treatment consisted of either a rapid (RAP; 1.0 kg of DM/d; n=6) or gradual (GRAD; 0.25 kg of DM/d; n=6) increase of concentrate allowance (up to 10.9 kg of DM/d), starting at 4 d pp, aimed at creating a contrast in rumen-fermentable organic matter intake. For the BIT, rumen contents were evacuated, the rumen washed, and a standardized buffer fluid introduced [120 mM VFA, 60% acetic (Ac), 25% propionic (Pr), and 15% butyric (Bu) acid; pH 5.9 and Co-EDTA as fluid passage marker]. For the isotope dilution technique, a pulse-dose of (13)C-labeled Ac, Pr, and Bu and Co-EDTA as fluid passage marker was infused. The rate of total VFA production was similar between treatments and was 2 times higher during the lactation (114 mol/d) than the dry period (53 mol/d). Although papillae surface area at 16, 30, and 44 d pp was greater in RAP than GRAD, Bu and Ac production at these days did not differ between RAP and GRAD, whereas at 16 d pp RAP produced more Pr than GRAD. These results provide little support for the particular proliferative effects of Bu on papillae surface area. Similar to developments in papillae surface area in the dry period and early lactation, the kaVFA (per hour), measured using the BIT, decreased from 0.45 (Ac), 0

  1. Water mass age and aging driving chromophoric dissolved organic matter in the dark global ocean

    Science.gov (United States)

    Catalá, T. S.; Reche, I.; Álvarez, M.; Khatiwala, S.; Guallart, E. F.; Benítez-Barrios, V. M.; Fuentes-Lema, A.; Romera-Castillo, C.; Nieto-Cid, M.; Pelejero, C.; Fraile-Nuez, E.; Ortega-Retuerta, E.; Marrasé, C.; Álvarez-Salgado, X. A.

    2015-07-01

    The omnipresence of chromophoric dissolved organic matter (CDOM) in the open ocean enables its use as a tracer for biochemical processes throughout the global overturning circulation. We made an inventory of CDOM optical properties, ideal water age (τ), and apparent oxygen utilization (AOU) along the Atlantic, Indian, and Pacific Ocean waters sampled during the Malaspina 2010 expedition. A water mass analysis was applied to obtain intrinsic, hereinafter archetypal, values of τ, AOU, oxygen utilization rate (OUR), and CDOM absorption coefficients, spectral slopes and quantum yield for each one of the 22 water types intercepted during this circumnavigation. Archetypal values of AOU and OUR have been used to trace the differential influence of water mass aging and aging rates, respectively, on CDOM variables. Whereas the absorption coefficient at 325 nm (a325) and the fluorescence quantum yield at 340 nm (Φ340) increased, the spectral slope over the wavelength range 275-295 nm (S275-295) and the ratio of spectral slopes over the ranges 275-295 nm and 350-400 nm (SR) decreased significantly with water mass aging (AOU). Combination of the slope of the linear regression between archetypal AOU and a325 with the estimated global OUR allowed us to obtain a CDOM turnover time of 634 ± 120 years, which exceeds the flushing time of the dark ocean (>200 m) by 46%. This positive relationship supports the assumption of in situ production and accumulation of CDOM as a by-product of microbial metabolism as water masses turn older. Furthermore, our data evidence that global-scale CDOM quantity (a325) is more dependent on aging (AOU), whereas CDOM quality (S275-295, SR, Φ340) is more dependent on aging rate (OUR).

  2. Spatiotemporal variations in the abundance and composition of bulk and chromophoric dissolved organic matter in seasonally hypoxia-influenced Green Bay, Lake Michigan, USA.

    Science.gov (United States)

    DeVilbiss, Stephen E; Zhou, Zhengzhen; Klump, J Val; Guo, Laodong

    2016-09-15

    Green Bay, Lake Michigan, USA, is the largest freshwater estuary in the Laurentian Great Lakes and receives disproportional terrestrial inputs as a result of a high watershed to bay surface area ratio. While seasonal hypoxia and the formation of "dead zones" in Green Bay have received increasing attention, there are no systematic studies on the dynamics of dissolved organic matter (DOM) and its linkage to the development of hypoxia. During summer 2014, bulk dissolved organic carbon (DOC) analysis, UV-vis spectroscopy, and fluorescence excitation-emission matrices (EEMs) coupled with PARAFAC analysis were used to quantify the abundance, composition and source of DOM and their spatiotemporal variations in Green Bay, Lake Michigan. Concentrations of DOC ranged from 202 to 571μM-C (average=361±73μM-C) in June and from 279 to 610μM-C (average=349±64μM-C) in August. In both months, absorption coefficient at 254nm (a254) was strongly correlated to bulk DOC and was most abundant in the Fox River, attesting a dominant terrestrial input. Non-chromophoric DOC comprised, on average, ~32% of bulk DOC in June with higher terrestrial DOM and ~47% in August with higher aquagenic DOM, indicating that autochthonous and more degraded DOM is of lower optical activity. PARAFAC modeling on EEM data resulted in four major fluorescent DOM components, including two terrestrial humic-like, one aquagenic humic-like, and one protein-like component. Variations in the abundance of DOM components further supported changes in DOM sources. Mixing behavior of DOM components also indicated that while bulk DOM behaved quasi-conservatively, significant compositional changes occurred during transport from the Fox River to the open bay. PMID:27243792

  3. Synthesis, crystal structures, and two-photon absorption of a series of cyanoacetic acid triphenylamine derivatives.

    Science.gov (United States)

    Hao, Fuying; Li, Dandan; Zhang, Qiong; Li, Shengli; Zhang, Shengyi; Zhou, Hongping; Wu, Jieying; Tian, Yupeng

    2015-11-01

    A specific series of chromophores (CN1, CN2, CN3, and CN4) have been synthesized, in which contained a triphenylamine moiety as the electron donor (D), a cyanoacetic acid moiety as the electron acceptor (A), vinylene or phenylethyne as the π-bridge, and ethyoxyl groups as auxiliary electron donor (D') to construct the D-π-A or D'-D-π-A molecular configuration. Photophysical properties of them were systematically investigated. These results show that the chromophores display a solvatochromism (blue shift) and large Stokes shifts for their absorption bands with increasing polarity of the solvent. Furthermore, the chromophore CN4 shows the strongest intensity of two-photon excited fluorescence and largest two-photon absorption cross section (2783 GM) in the near infrared region. Finally, the connections between the structures and properties are systematically investigated relying on the information from linear and nonlinear optical properties, crytsal structures and quantum chemical calculation. PMID:26119354

  4. CO concentration and temperature sensor for combustion gases using quantum-cascade laser absorption near 4.7 μm

    KAUST Repository

    Ren, Wei

    2012-05-25

    A sensor for sensitive in situ measurements of carbon monoxide and temperature in combustion gases has been developed using absorption transitions in the (v′ = 1 ← v″ = 0) and (v′ = 2 ← v″ = 1) fundamental bands of CO. Recent availability of mid-infrared quantum-cascade (QC) lasers provides convenient access to the CO fundamental band near 4.7 μm, having approximately 104 and 102 times stronger absorption line-strengths compared to the overtone bands near 1.55 μm and 2.3 μm used previously to sense CO in combustion gases. Spectroscopic parameters of the selected transitions were determined via laboratory measurements in a shock tube over the 1100-2000 K range and also at room temperature. A single-laser absorption sensor was developed for accurate CO measurements in shock-heated gases by scanning the line pair v″ = 0, R(12) and v″ = 1, R(21) at 2.5 kHz. To capture the rapidly varying CO time-histories in chemical reactions, two different QC lasers were then used to probe the line-center absorbance of transitions v″ = 0, P(20) and v″ = 1, R(21) with a bandwidth of 1 MHz using fixed-wavelength direct absorption. The sensor was applied in successful shock tube measurements of temperature and CO time-histories during the pyrolysis and oxidation of methyl formate, illustrating the capability of this sensor for chemical kinetic studies. © 2012 Springer-Verlag.

  5. Transient absorption spectroscopy in biology using the Super-ACO storage ring FEL and the synchrotron radiation combination

    CERN Document Server

    Renault, E; De Ninno, G; Garzella, D; Hirsch, M; Nahon, L; Nutarelli, D

    2001-01-01

    The Super-ACO storage ring FEL, covering the UV range down to 300 nm with a high average power (300 mW at 350 nm) together with a high stability and long lifetime, is a unique tool for the performance of users applications. We present here the first pump-probe two color experiments on biological species using a storage ring FEL coupled to the synchrotron radiation. The intense UV pulse of the Super-ACO FEL is used to prepare a high initial concentration of chromophores in their first singlet electronic excited state. The nearby bending magnet synchrotron radiation provides, on the other hand a pulsed, white light continuum (UV-IR), naturally synchronized with the FEL pulses and used to probe the photochemical subsequent events and the associated transient species. We have demonstrated the feasibility with a dye molecule (POPOP) observing a two-color effect, signature of excited state absorption and a temporal signature with Acridine. Applications on various chromophores of biological interest are carried out,...

  6. Age dependent sensitivity of two-photon isomerization of rhodopsin chromophores in the human retina (Conference Presentation)

    Science.gov (United States)

    Wojtkowski, Maciej; Komar, Katarzyna; Palczewska, Grazyna; Zielinska, Agnieszka; Stremplewski, Patrycjusz; Palczewski, Krzysztof

    2016-03-01

    Light sensation relies on photoisomerization of chromophores in rod and cone photoreceptor cells. Spectral sensitivity of these photoreceptor cells in the retina is determined by the absorption spectra of their pigments which covers a range from 400 nm to above 700 nm. Regardless the mechanism leading to visual pigment isomerization, light sensation is triggered every time visual pigment molecules change their conformation. Thus, two-photon absorption (TPA) should produce the same result (visual sensation) as single photon absorption of light. This observation was positively verified and published by our group. During human psychophysics experiments, we found that humans can perceive light in the infrared (IR) range as colors that match half of the wavelength of the applied laser beam. Other experiments and theoretical research, such as mouse electrophysiology, biochemical studies of TPA in rhodopsin or molecular modeling studies, confirmed that visual sensation can be triggered by TPA. There are few publications describing human near infrared (NIR) perception and no formal proposals to use this phenomenon to improve ophthalmic diagnosis and monitor treatment. Here we report that the use of novel instrumentation revealed that the sensitivity threshold for NIR vision depends on age.

  7. Laser-based absorption spectroscopy as a technique for rapid in-line analysis of respired gas concentrations of O2 and CO2

    OpenAIRE

    Cummings, Beth; Hamilton, Michelle L.; Ciaffoni, Luca; Pragnell, Timothy R.; Peverall, Rob; Ritchie, Grant A. D.; Hancock, Gus; Robbins, Peter A.

    2011-01-01

    The use of sidestream analyzers for respired gas analysis is almost universal. However, they are not ideal for measurements of respiratory gas exchange because the analyses are both temporally dissociated from measurements of respiratory flow and also not generally conducted under the same physical conditions. This study explores the possibility of constructing an all optical, fast response, in-line breath analyzer for oxygen and carbon dioxide. Using direct absorption spectroscopy with a dio...

  8. X-ray absorption near-edge structure of GaN with high Mn concentration grown on SiC

    Energy Technology Data Exchange (ETDEWEB)

    Sancho-Juan, O; Cantarero, A; Garro, N; Cros, A [Materials Science Institute, University of Valencia, PO Box 22085, E46071 Valencia (Spain); Martinez-Criado, G; Salome, M; Susini, J [European Synchrotron Radiation Facility, 6 rue Jules Horowitz, 38043 Grenoble (France); Olguin, D [Dept. de Fisica, CINVESTAV-IPN, 07300 Mexico D F (Mexico); Dhar, S [Experimentalphysik, Universitaet Duisburg-Essen, Lotharstrasse 1, 47057 Duisburg (Germany)

    2009-07-22

    By means of x-ray absorption near-edge structure (XANES) several Ga{sub 1-x}Mn{sub x}N (0.03absorption region. The shoulders and main absorption peak of the XANES spectra are attributed to transitions from the Mn(1s) band to the conduction bands, which are partially dipole allowed because of the Mn(4p) contribution to these bands.

  9. Optical Absorptivity versus Molecular Composition of Model Organic Aerosol Matter

    OpenAIRE

    Rincón, Angela G.; Guzmán, Marcelo I.; Hoffmann, Michael R.; Colussi, A. J.

    2009-01-01

    Aerosol particles affect the Earth’s energy balance by absorbing and scattering radiation according to their chemical composition, size, and shape. It is generally believed that their optical properties could be deduced from the molecular composition of the complex organic matter contained in these particles, a goal pursued by many groups via high-resolution mass spectrometry, although: (1) absorptivity is associated with structural chromophores rather than with molecular formulas, (2) compos...

  10. Generation dependent singlet–singlet annihilation within multichromophoric dendrimers studied by polychromatic transient absorption

    NARCIS (Netherlands)

    Jordens, Sven; Belder, Gino De; Lor, Marc; Schweitzer, Gerd; Auweraer, Mark Van der; Weil, Tanja; Herrmann, Andreas; Wiesler, Uwe-M.; Müllen, Klaus; Schryver, Frans C. De

    2003-01-01

    Intramolecular kinetic processes in a series of shape-persistent meta- and para-substituted polyphenylene dendrimers bearing different peryleneimide chromophores at the rim have been investigated using time-resolved polychromatic transient absorption measurements. The influence of the generation num

  11. Conjugated donor-acceptor chromophores in solution non-linearity at work

    CERN Document Server

    Terenziani, F; Terenziani, Francesca; Painelli, Anna

    2001-01-01

    We propose a model that, accounting for the intrinsic non-linearity of the electronic system, is able to rationalize steady-state electronic and vibrational spectra of polar chromophores in solution, as well as time-resolved experiments.

  12. Chromophoric Dissolved Organic Material, Aqua MODIS, NPP, 0.125 degrees, East US

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — MODIS data is used to develop an index of the amount of chromophoric dissolved organic material (CDOM) in the surface waters. CDOM absorbs heavily in the blue...

  13. Quantum dynamics of electronic excitations in biomolecular chromophores: role of the protein environment and solvent

    CERN Document Server

    Gilmore, J; Gilmore, Joel; Kenzie, Ross H. Mc

    2006-01-01

    We consider continuum dielectric models as minimal models to understand the effect of the surrounding protein and solvent on the quantum dynamics of electronic excitations in a biological chromophore. For these models we describe expressions for the frequency dependent spectral density which describes the coupling of the electronic levels in the chromophore to its environment. We find the contributions to the spectral density from each component of the chromophore environment: the bulk solvent, protein, and water bound to the protein. The relative importance of each component is determined by the time scale on which one is considering the quantum dynamics of the chromophore. Our results provide a natural explanation and model for the different time scales observed in the spectral density extracted from the solvation dynamics probed by ultra-fast laser spectroscopy techniques such as the dynamic Stokes shift and three pulse photon echo spectroscopy. Our results can be used to define under what conditions the d...

  14. CHROMOPHORIC DISSOLVED ORGANIC MATTER (CDOM) DERIVED FROM DECOMPOSITION OF VARIOUS VASCULAR PLANT AND ALGAL SOURCES

    Science.gov (United States)

    Chromophoric dissolved organic (CDOM) in aquatic environments is derived from the microbial decomposition of terrestrial and microbial organic matter. Here we present results of studies of the spectral properties and photoreactivity of the CDOM derived from several organic matter...

  15. Chromophoric Dissolved Organic Material, Aqua MODIS, NPP, 0.125 degrees, West US

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — MODIS data is used to develop an index of the amount of chromophoric dissolved organic material (CDOM) in the surface waters. CDOM absorbs heavily in the blue...

  16. Imidazole as a central pi-linkage in Y-shaped push-pull chromophores

    Czech Academy of Sciences Publication Activity Database

    Kulhánek, J.; Bureš, F.; Mikysek, T.; Ludvík, Jiří; Pytela, O.

    2011-01-01

    Roč. 90, č. 1 (2011), s. 48-55. ISSN 0143-7208 Institutional research plan: CEZ:AV0Z40400503 Keywords : chromophore * imidazole * electrochemistry Subject RIV: CG - Electrochemistry Impact factor: 3.126, year: 2011

  17. Mapping the Origins of Chromophoric Dissolved Organic Matter in the North Atlantic Subtropical Gyre

    Science.gov (United States)

    McDonald, N.; Logendran, V.; Evans, D. G.; Peters, A.; Nelson, N. B.

    2010-12-01

    The chromophoric or "light-absorbing" fraction of dissolved organic matter plays a significant role in the regulation of the underwater light field. In the North Atlantic subtropical gyre, it's origins vary, and include contributions from both terrestrial and marine sources. Furthermore, within the fraction of marine-origin CDOM, there are distinctions between that of local origin and that coming from other regions via transport through water masses or through atmospheric deposition. As the optical and chemical properties of CDOM depend largely on its source, an analysis of its origins could lead to a better understanding of processes in the North Atlantic subtropical gyre. For this analysis, we have used absorption data from CDOM measurements collected repeatedly for a number of years at the BATS site in the Sargasso Sea. Samples have been collected at the same series of depths ranging from surface waters to 4200 meters. The samples were analyzed using a dual beam spectrophotometer to obtain absorption spectra. The slope parameter, S, provides more in depth information about the source of CDOM than does the absorption spectra alone, and thus we have used it as well as the slope ratio, Sr, for differentiating between different types of CDOM. Slope ratios were obtained by selecting portions of the spectral slope at wavelength ranges, which have been found to be indicative of CDOM originating from a particular source. For example, it can be used to distinguish marine CDOM formed locally in the Sargasso Sea from that which has been formed further north in the Atlantic and then subducted and transported to the Sargasso. There are various other methods for ascertaining the sources of CDOM, and the most comprehensive model for CDOM in the North Atlantic is likely obtained using a combination of all of them. Excitation-emission matrix spectra (EEMS) have been performed on samples from the same site in the Sargasso Sea to corroborate findings from the S and Sr analyses

  18. Isotope Concentrations from 24-h Urine and 3-h Serum Samples Can Be Used to Measure Intestinal Magnesium Absorption in Postmenopausal Women123

    OpenAIRE

    Hansen, Karen E.; Nabak, Andrea C.; Johnson, Rachael Erin; Marvdashti, Sheeva; Keuler, Nicholas S; Shafer, Martin M.; Abrams, Steven A.

    2014-01-01

    Studies suggest a link between magnesium status and osteoporosis. One barrier to more conclusive research on the potential relation is measuring intestinal magnesium absorption (MgA), which requires the use of stable isotopes and a ≥6-d stool or 3-d urine collection. We evaluated alternative methods of measuring MgA. We administered 2 stable magnesium isotopes to 15 postmenopausal women (cohort 1) aged 62 ± 8 y with a dietary magnesium intake of 345 ± 72 mg/d. Participants fasted from 1200 h ...

  19. Enhancement of hydrophobic chromophore fluorescence by adsorption to nanospheres

    Science.gov (United States)

    Blair, Elizabeth; Carr, Aaron; Krishnan, Rajagopal; Nordlund, Thomas M.

    2003-11-01

    Optical properties of hydrophobic molecules are usually studied in solvents of low dielectric constant. However, biologically or medically important molecules often exist in a mixed hydrophobic/ aqueous environment, e.g., in emulsions or membranes. In order to study optical processes occurring in oily sunscreen agents, octyl salicylate and octyl methoxycinnamate, in a model aqueous/hydrophobic environment, we dispersed the agents in suspensions of polystyrene nanospheres, ranging in diameter from 30 to 1500 nm. The spheres had sulfate functional groups and a low negative charge on the surface. Adsorption of salicylate resulted in a fluorescence intensity enhancement of 6 +/- 0.5 compared to a solution in methanol. The enhancement was independent of sphere diameter. Cinnamate had a much lower enhancement, about 1.5. The enhancement correlates with fluorescence yield vs. dielectric constant in organic solvents: the adsorbed chromophore acts as if it were surrounded by a material of dielectric constant less than 2, in spite of the presence of neighboring water molecules.

  20. Synergistic "ping-pong" energy transfer for efficient light activation in a chromophore-catalyst dyad.

    Science.gov (United States)

    Quaranta, Annamaria; Charalambidis, Georgios; Herrero, Christian; Margiola, Sofia; Leibl, Winfried; Coutsolelos, Athanassios; Aukauloo, Ally

    2015-10-01

    The synthesis of a porphyrin-Ru(II) polypyridine complex where the porphyrin acts as a photoactive unit and the Ru(II) polypyridine as a catalytic precursor is described. Comparatively, the free base porphyrin was found to outperform the ruthenium based chromophore in the yield of light induced electron transfer. Mechanistic insights indicate the occurrence of a ping-pong energy transfer from the (1)LC excited state of the porphyrin chromophore to the (3)MCLT state of the catalyst and back to the (3)LC excited state of the porphyrin unit. The latter, triplet-triplet energy transfer back to the chromophore, efficiently competes with fast radiationless deactivation of the excited state at the catalyst site. The energy thus recovered by the chromophore allows improved yield of formation of the oxidized form of the chromophore and concomitantly of the oxidation of the catalytic unit by intramolecular charge transfer. The presented results are among the rare examples where a porphyrin chromophore is successfully used to drive an oxidative activation process where reductive processes prevail in the literature. PMID:26327298

  1. Molecular bases for the selection of the chromophore of animal rhodopsins.

    Science.gov (United States)

    Luk, Hoi Ling; Melaccio, Federico; Rinaldi, Silvia; Gozem, Samer; Olivucci, Massimo

    2015-12-15

    The functions of microbial and animal rhodopsins are triggered by the isomerization of their all-trans and 11-cis retinal chromophores, respectively. To lay the molecular basis driving the evolutionary transition from the all-trans to the 11-cis chromophore, multiconfigurational quantum chemistry is used to compare the isomerization mechanisms of the sensory rhodopsin from the cyanobacterium Anabaena PCC 7120 (ASR) and of the bovine rhodopsin (Rh). It is found that, despite their evolutionary distance, these eubacterial and vertebrate rhodopsins start to isomerize via distinct implementations of the same bicycle-pedal mechanism originally proposed by Warshel [Warshel A (1976) Nature 260:678-683]. However, by following the electronic structure changes of ASR (featuring the all-trans chromophore) during the isomerization, we find that ASR enters a region of degeneracy between the first and second excited states not found in Rh (featuring the 11-cis chromophore). We show that such degeneracy is modulated by the preorganized structure of the chromophore and by the position of the reactive double bond. It is argued that the optimization of the electronic properties of the chromophore, which affects the photoisomerization efficiency and the thermal isomerization barrier, provided a key factor for the emergence of the striking amino acid sequence divergence observed between the microbial and animal rhodopsins. PMID:26607446

  2. Effects of ICG concentration and particle diameter on photophysical properties of ICG-doped nanoparticles

    Science.gov (United States)

    Crovisier, Jason; Bahmani, Baharak; Saleh, Reema; Vullev, Valentine; Anvari, Bahman

    2014-03-01

    The variety of nanoparticles developed by numerous investigators has presented a diverse platform for various optical imaging applications in biomedicine. We have previously reported that the FDA-approved chromophore Indocyanine Green (ICG) can be successfully encapsulated by cross-linked poly-allylamine hydrochloride (PAH)-Disodium Monophosphate (Na2HPO4) to form a nanoparticle for near-infrared imaging applications. The diameter of the constructs is dependent on the charge ratio between the polymer and salt used to encapsulate the chromophore. Modifications of the synthesis methods can alter the photophysical properties of the capsules, either through the adjustment of the charge ratio between PAH and Na2HPO4 or concentration of ICG successfully impregnated into the capsule. Through understanding the effects of tuning the nanoparticle properties, the photophysical characteristics of the constructs can be optimized. Here we present the results of adjusting the diameter of the nanoparticle and amount of ICG on the hydrodynamic diameters, absorption and fluorescence characteristics, and the relative fluorescence quantum yield. Optimizing the photophysical properties of the constructs can lead to increased imaging sensitivity and contrast for potential translational applications, including tumor imaging, which may utilize these nanoconstructs.

  3. trans/cis-Isomerization of fluorene-bridged azo chromophore with significant two-photon absorbability at near-infrared wavelength.

    Science.gov (United States)

    Chu, Chih-Chien; Chang, Ya-Chi; Tsai, Bo-Kai; Lin, Tzu-Chau; Lin, Ja-Hon; Hsiao, Vincent K S

    2014-12-01

    Azo-containing materials have been proven to possess second-order nonlinear optical (NLO) properties, but their third-order NLO properties, which involves two-photon absorption (2PA), has rarely been reported. In this study, we demonstrate a significant 2PA behavior of the novel azo chromophore incorporated with bilateral diphenylaminofluorenes (DPAFs) as a π framework. The electron-donating DPAF moieties cause a redshifted π-π* absorption band centered at 470 nm, thus allowing efficient blue-light-induced trans-to-cis photoisomerization with a rate constant of 2.04 × 10(-1) min(-1) at the photostationary state (PSS). The open-aperture Z-scan technique that adopted a femtosecond (fs) pulse laser as excitation source shows an appreciably higher 2PA cross-section for the fluorene-derived azo chromophore than that for common azobenzene dyes at near-infrared wavelength (λex =800 nm). Furthermore, the fs 2PA response is quite uniform regardless of the molecular geometry. On the basis of the computational modeling, the intramolecular charge-transfer (ICT) process from peripheral diphenylamines to the central azo group through a fluorene π bridge is crucial to this remarkable 2PA behavior. PMID:25294108

  4. Absorption Spectroscopy in the 4.4-4.6 μ m Infrared Wavelength Range for the 10 Khz High-Speed Measurement of CO and CO2 Concentrations in Combusting Environments.

    Science.gov (United States)

    Fotia, Matthew L.; Sell, Brian C.; Hoke, John; Schauer, Fred

    2014-06-01

    An instrument has been developed to make 10 kHz in situ combustion gas measurements of carbon monoxide (CO) and carbon dioxide (CO_2) concentrations. Operating in both the 4.40 and 4.58 μ m wavelength ranges allows for the fundamental molecular absorption bands of both molecules to be utilized. Such concentration measurements allow for the determination of total combustion efficiency of a particular process, which has engineering implications when considering the energy available from a combustion process to be utilized for propulsion purposes. A brief discussion of the initial calibration of the sensor with a calibrated diffusion flame, Hencken burner, and pressure-concentration cell is made with the main focus of the current work being the application of the instrument to examine the structure of propagating detonation waves.

  5. Excitation-dependent visible fluorescence in decameric nanoparticles with monoacylglycerol cluster chromophores.

    Science.gov (United States)

    Lee, Kwang-Ming; Cheng, Wan-Yin; Chen, Cheng-Yu; Shyue, Jing-Jong; Nieh, Chih-Chun; Chou, Chen-Fu; Lee, Jia-Rong; Lee, Ya-Yun; Cheng, Chih-Yang; Chang, Sarah Y; Yang, Thomas C; Cheng, Mei-Ching; Lin, Bi-Yun

    2013-01-01

    Organic fluorescent nanoparticles, excitation-dependent photoluminescence, hydrogen-bonded clusters and lysobisphosphatidic acid are four interesting individual topics in materials and biological sciences. They have attracted much attention not only because of their unique properties and important applications, but also because the nature of their intriguing phenomena remained unclear. Here we report a new type of organic fluorescent nanoparticles with intense blue and excitation-dependent visible fluorescence in the range of 410-620 nm. The nanoparticles are composed of ten bis(monoacylglycerol)bisphenol-A molecules and the self-assembly occurs only in elevated concentrations of 2-monoacylglycerol via radical-catalysed 3,2-acyl migration from 3-monoacylglycerol in neat conditions. The excitation-dependent fluorescence behaviour is caused by chromophores composed of hydrogen-bonded monoacylglycerol clusters, which are linked by an extensive hydrogen-bonding network between the ester carbonyl groups and the protons of the alcohols with collective proton motion and HO···C=O (n→π) interactions. PMID:23443572

  6. Quantum theory and experimental studies of absorption spectra and photoisomerization of azobenzene polymers

    DEFF Research Database (Denmark)

    Pedersen, Thomas Garm; Ramanujam, P.S.; Johansen, P.M.;

    1998-01-01

    The microscopic properties of azobenzene chromophores are important for a correct description of optical storage systems based on photoinduced anisotropy in azobenzene polymers. A quantum model of these properties is presented and verified by comparison to experimental absorption spectra for trans...... and cis isomers of cyano methoxy azobenzene. In addition, the trans --> cis quantum efficiency is measured, and hence the combined experimental and theoretical work allows one to determine the essential molecular properties, including magnitude and anisotropy of the absorption cross section and...

  7. Feasibility of interstitial near-infrared radiance spectroscopy platform for ex vivo canine prostate studies: optical properties extraction, hemoglobin and water concentration, and gold nanoparticles detection

    Science.gov (United States)

    Grabtchak, Serge; Montgomery, Logan G.; Whelan, William M.

    2014-05-01

    The canine prostate is a close match for the human prostate and is used in research of prostate cancers. Determining accurately optical absorption and scattering properties of the gland in a wide spectral range (preferably in a minimally invasive way), linking optical properties to concentrations of major endogenous chromophores, and detecting the presence of localized optical inhomogeneities like inclusions of gold nanoparticles for therapeutic and diagnostic purposes, are among the major challenges for researchers. The goal of the article is to demonstrate a feasibility of the multifunctional radiance spectroscopy platform in providing the required information. For ex vivo canine prostate, extraction of the effective attenuation and diffusion coefficients using relative cw radiance measurements was demonstrated in the 650- to 900-nm range. The derived absorption coefficient was decomposed to contributions from 9.0 μM HbO2, 29.6 μM Hb, and 0.47 fractional volume of H2O. Detection of a localized inclusion containing ˜1.5.1010 gold nanorods (0.8 μg Au) at 10 mm distance from the urethra was achieved with the detector in the urethra and the light source in a virtual rectum position. The platform offers the framework for a systematic study of various chromophores in the prostate that can be used as comprehensive diagnostic markers.

  8. Absorption studies

    International Nuclear Information System (INIS)

    Absorption studies were once quite popular but hardly anyone does them these days. It is easier to estimate the blood level of the nutrient directly by radioimmunoassay (RIA). However, the information obtained by estimating the blood levels of the nutrients is not the same that can be obtained from the absorption studies. Absorption studies are primarily done to find out whether some of the essential nutrients are absorbed from the gut or not and if they are absorbed, to determine how much is being absorbed. In the advanced countries, these tests were mostly done to detect pernicious anaemia where vitamin B12 is not absorbed because of the lack of the intrinsic factor in the stomach. In the tropical countries, ''malabsorption syndrome'' is quire common. In this condition, several nutrients like fat, folic acid and vitamin B12 are not absorbed. It is possible to study absorption of these nutrients by radioisotopic absorption studies

  9. Determination of the doping concentration and sites of Ce3+ and Cr3+ ions in congruent SBN crystals by optical absorption measurements

    International Nuclear Information System (INIS)

    Strontium Barium Niobate (SBN) is a promising photorefractive crystal. Doping with Ce and/or Cr enhances the photorefractive properties of this material by forming local energy states in the band gap of the crystal, which can provide additional charge carriers under illumination. It is important to know the energy structure of these states, their dependence on the doping concentration and its optimization for photorefractive applications of this material. The concentrations of Cr and Ce are not the same in melt and in the crystalline phase and depend on each other. Spectroscopic studies allow us with the help of existing chemical analysis results to determine the doping concentration in the prepared sample. Also conclusions can be drawn about the sites of these impurity ions in the crystal lattice

  10. The Measurement and Changes of Chromophoric Dissolved Organic Matter in Water%水体中有色可溶性有机物的测量及其变化

    Institute of Scientific and Technical Information of China (English)

    付宇; 韦玉春; 周宇

    2012-01-01

    Chromophoric dissolved organic matter (CDOM) is one of the major constituents in water color remote sensing. It is significantly important in the research Held such as aquatic ecosystem, optical remote sensing, organic pollution and global carbon circulation, and becoming a hot research topic. This paper systematically summed up the measurement and calculation methods of CDOM, measurement problems, spatial and temporal changes of CDOM and its correlative factors, so as to provide a reference for related work. Presently, routine measurement and calculation methods of CDOM include spectral absorption coefficient and fluorescence spectrum method, CDOM concentration is expressed by absorption coefficient at 355 nm,375 nm or 440 nm in the former, and expressed by fluorescence intensity at excitation wavelength between 200 nm and 435 nm, and emission wavelength between 2S0 nm and 600 nm in the latter. CDOM absorption coefficient in water varying with time, region, depth or water body type, and its value is correlated with factors such as salinity, chlorophylla concentration, DOM (dissolved organic matter) , suspended sediment concentration and others.%有色可溶性有机物(CDOM)是水色遥感的重要组分之一,在水生生态系统、光学遥感、有机污染、全球碳循环等方面具有重要的研究意义,这已成为国内外学者研究的热点.本文系统总结了国内外CDOM测量计算的方法、测量中存在的问题、CDOM的时空变化特点及其相关因素,以期为相关的工作提供参考.目前CDOM的常规测量计算方法包括光谱吸收系数和荧光光谱法两种,前者使用355 nm、375 nm、440 nm等波长处的吸收系数来表示CDOM的浓度,后者采用200 nm~435 nm激发波长和250 nm~ 600 nm发射波长的荧光强度来表示CDOM的浓度.CDOM吸收系数在不同时间段、不同区域、不同深度或不同类型水体中均存在差异,且其值大小与盐度、叶绿素a浓度、DOC、悬浮泥沙浓

  11. Unveiling the mechanism of photoinduced isomerization of the photoactive yellow protein (PYP) chromophore

    Energy Technology Data Exchange (ETDEWEB)

    Gromov, Evgeniy V., E-mail: evgeniy.gromov@pci.uni-heidelberg.de [Theoretische Chemie, Physikalisch-Chemisches Institut, Universität Heidelberg, Heidelberg (Germany)

    2014-12-14

    A detailed theoretical analysis, based on extensive ab initio second-order approximate coupled cluster calculations, has been performed for the S{sub 1} potential energy surface (PES) of four photoactive yellow protein (PYP) chromophore derivatives that are hydrogen bonded with two water molecules and differ merely in the carbonyl substituent. The main focus is put on contrasting the isomerization properties of these four species in the S{sub 1} excited state, related to torsion around the chromophore's single and double carbon-carbon bonds. The analysis provides evidence of the different isomerization behavior of these four chromophore complexes, which relates to the difference in their carbonyl substituents. While a stable double-bond torsion pathway exists on the S{sub 1} PES of the chromophores bearing the –O–CH{sub 3} and –NH{sub 2} substituents, this is not the case for the –S–CH{sub 3} and –CH{sub 3} substituted species. The presence of the –S–CH{sub 3} group leads to a strong instability of the chromophore with respect to the single-bond twist, whereas in the case of the –CH{sub 3} substituent a crossing of the S{sub 1} and S{sub 2} PESs occurs, which perturbs the pathway. Based on this analysis, the key factors that support the double-bond torsion have been identified. These are (i) the hydrogen bonds at the phenolic oxygen of the chromophore, (ii) the weak electron-acceptor character of the carbonyl group, and (iii) the ethylene-like pattern of the torsion in the beginning of the process. Our results suggest that the interplay between these factors determines the chromophore's isomerization in the solvent environment and in the native PYP environment.

  12. Non-tinted Transparent Luminescent Solar Concentrators Employing Both UV and NIR Selective Absorbers

    Science.gov (United States)

    Zhao, Yimu; Lunt, Richard

    2014-03-01

    Luminescent solar concentrators are a potentially low-cost solar harvesting solution that additionally offer opportunities for integration around buildings and windows. However, the visible absorption and emission of previously demonstrated chromophores hamper their widespread applications including solar windows. Here, we demonstrate non-tinted transparent luminescent solar concentrators (TLSC) that employ both ultraviolet (UV) and near-infrared (NIR) selective absorbing luminophores that create an entirely new paradigm for power-producing transparent surfaces and enhances the potential over UV-only TLSCs. We have previously designed UV-harvesting systems composed of metal halide phosphorescent luminophore blends that enable absorption cutoff positioned at the edge of visible spectrum (430nm) and massive-downconverted emission in the near-infrared (800nm) with quantum yields for luminescence of 75%. Here, we have developed a complimentary TLSC employing fluorescent organic salts with both efficient NIR absorption and deeper NIR emission. We will discuss the photophysical properties of these luminophores, the impact of ligand-host control, and optimization of the TLSC architectures.

  13. Chemometric evaluation of Cd, Co, Cr, Cu, Ni (inductively coupled plasma optical emission spectrometry) and Pb (graphite furnace atomic absorption spectrometry) concentrations in lipstick samples intended to be used by adults and children.

    Science.gov (United States)

    Batista, Érica Ferreira; Augusto, Amanda dos Santos; Pereira-Filho, Edenir Rodrigues

    2016-04-01

    A method was developed for determining the concentrations of Cd, Co, Cr, Cu, Ni and Pb in lipstick samples intended to be used by adults and children using inductively coupled plasma optical emission spectrometry (ICP OES) and graphite furnace atomic absorption spectrometry (GF AAS) after treatment with dilute HNO3 and hot block. The combination of fractional factorial design and Desirability function was used to evaluate the ICP OES operational parameters and the regression models using Central Composite and Doehlert designs were calculated to stablish the best working condition for all analytes. Seventeen lipstick samples manufactured in different countries with different colors and brands were analyzed. Some samples contained high concentrations of toxic elements, such as Cr and Pb, which are carcinogenic and cause allergic and eczematous dermatitis. The maximum concentration detected was higher than the permissible safe limits for human use, and the samples containing these high metal concentrations were intended for use by children. Principal component analysis (PCA) was used as a chemometrics tool for exploratory analysis to observe the similarities between samples relative to the metal concentrations (a correlation between Cd and Pb was observed). PMID:26838401

  14. Cis-trans photoisomerization of the chromophore in the green fluorescent protein variant E2GFP: A molecular dynamics study

    International Nuclear Information System (INIS)

    By force-field molecular dynamics simulations we investigate the dynamics of cis-trans photoisomerization of the chromophore in the GFP mutant E2GFP (F64L/S65T/T203Y), and the rearrangements that allow the protein structure to accommodate the trans form of the chromophore. We find that in this new configuration the chromophore is less well coordinated with the surrounding protein matrix. From this configuration the simulated trans-cis photoisomerization of the chromophore and the associated non-radiative decay are faster than in the cis-trans case

  15. Highly sensitive measurement in two-photon absorption cross section and investigation of the mechanism of two-photon-induced polymerization

    International Nuclear Information System (INIS)

    A novel two-photon initiator, 4,4'-bis[4-(di-n-butylamino)styryl]-benzene with the side-group methyl (Me) (abbreviated as Chromophore 1), was synthesized in comparison with the chromophore with the side group methoxy (MeO) (abbreviated as Chromophore 2). Femtosecond laser-induced fluorescence intensity was used to evaluate two-photon absorption (TPA) cross section, δ, by means of a charge-coupled device, USB-2000 (abbreviated as CCD). Results showed that changing the side group from Me to MeO led to a significant red-shift of the two-photon absorption (2λmax). However, the microstructures obtained by two-photon-induced polymerization (TPIP) demonstrated that the sensitivities of Chromophore 1 increased despite a two-fold decrease in the two-photon cross section δmax, relative to Chromophore 2. Correlated with the appearance that the long-lived charge transfer emission of the chromophore in the monomer bulk, we suggest that the intramolecular charge transfer (intra-CT) takes place within the excited dye. Then intermolecular charge transfer was successive as a result of the formation of an exciplex between the dye and the monomer. The Me group was favorable for the intra-CT, relative to MeO, which contributed to the enhancement of the sensitivity of TPIP

  16. 低浓度 CO2捕集的吸收率测算%Absorption rate measurement and calculation of low-concentration CO2 capture technical

    Institute of Scientific and Technical Information of China (English)

    马超援

    2016-01-01

    The paper introduces low-concentration CO2 absorbinf methods,describes the measurement and calculation methods of low-concentra-tion CO2 capture technical and explores the elements of determininf absorbinf afent,which has certain meaninf for control indoor CO2 concentration.%介绍了常用的低浓度 CO2气体吸收方法,就低浓度 CO2捕集吸收率的测算方法进行了阐述,并探讨了确定吸收剂的要素,对室内 CO2浓度的控制有一定的意义。

  17. Simulation of femtosecond "double-slit" experiments for a chromophore in a dissipative environment.

    Science.gov (United States)

    Gelin, M F; Tanimura, Y; Domcke, W

    2013-12-01

    We performed simulations of the prototypical femtosecond "double-slit" experiment with strong pulsed laser fields for a chromophore in solution. The chromophore is modeled as a system with two electronic levels and a single Franck-Condon active underdamped vibrational mode. All other (intra- and inter-molecular) vibrational modes are accounted for as a thermal bath. The system-bath coupling is treated in a computationally accurate manner using the hierarchy equations of motion approach. The double-slit signal is evaluated numerically exactly without invoking perturbation theory in the matter-field interaction. We show that the strong-pulse double-slit signal consists of a superposition of N-wave-mixing (N = 2, 4, 6...) responses and can be split into population and coherence contributions. The former reveals the dynamics of vibrational wave packets in the ground state and the excited electronic state of the chromophore, while the latter contains information on the dephasing of electronic coherences of the chromophore density matrix. We studied the influence of heat baths with different coupling strengths and memories on the double-slit signal. Our results show that the double-slit experiment performed with strong (nonperturbative) pulses yields substantially more information on the photoinduced dynamics of the chromophore than the weak-pulse experiment, in particular, if the bath-induced dephasings are fast. PMID:24320375

  18. Simulation of femtosecond “double-slit” experiments for a chromophore in a dissipative environment

    International Nuclear Information System (INIS)

    We performed simulations of the prototypical femtosecond “double-slit” experiment with strong pulsed laser fields for a chromophore in solution. The chromophore is modeled as a system with two electronic levels and a single Franck-Condon active underdamped vibrational mode. All other (intra- and inter-molecular) vibrational modes are accounted for as a thermal bath. The system-bath coupling is treated in a computationally accurate manner using the hierarchy equations of motion approach. The double-slit signal is evaluated numerically exactly without invoking perturbation theory in the matter-field interaction. We show that the strong-pulse double-slit signal consists of a superposition of N-wave-mixing (N = 2, 4, 6…) responses and can be split into population and coherence contributions. The former reveals the dynamics of vibrational wave packets in the ground state and the excited electronic state of the chromophore, while the latter contains information on the dephasing of electronic coherences of the chromophore density matrix. We studied the influence of heat baths with different coupling strengths and memories on the double-slit signal. Our results show that the double-slit experiment performed with strong (nonperturbative) pulses yields substantially more information on the photoinduced dynamics of the chromophore than the weak-pulse experiment, in particular, if the bath-induced dephasings are fast

  19. Simulation of femtosecond ``double-slit'' experiments for a chromophore in a dissipative environment

    Science.gov (United States)

    Gelin, M. F.; Tanimura, Y.; Domcke, W.

    2013-12-01

    We performed simulations of the prototypical femtosecond "double-slit" experiment with strong pulsed laser fields for a chromophore in solution. The chromophore is modeled as a system with two electronic levels and a single Franck-Condon active underdamped vibrational mode. All other (intra- and inter-molecular) vibrational modes are accounted for as a thermal bath. The system-bath coupling is treated in a computationally accurate manner using the hierarchy equations of motion approach. The double-slit signal is evaluated numerically exactly without invoking perturbation theory in the matter-field interaction. We show that the strong-pulse double-slit signal consists of a superposition of N-wave-mixing (N = 2, 4, 6…) responses and can be split into population and coherence contributions. The former reveals the dynamics of vibrational wave packets in the ground state and the excited electronic state of the chromophore, while the latter contains information on the dephasing of electronic coherences of the chromophore density matrix. We studied the influence of heat baths with different coupling strengths and memories on the double-slit signal. Our results show that the double-slit experiment performed with strong (nonperturbative) pulses yields substantially more information on the photoinduced dynamics of the chromophore than the weak-pulse experiment, in particular, if the bath-induced dephasings are fast.

  20. Synthesis of Dendrimer Containing Carbazole Unit as a Core Chromophore

    International Nuclear Information System (INIS)

    Dendrimers, which are prepared by repetition of a given set of reactions using either divergent or convergent strategies, are highly branched and regular macromolecules with well-defined structures and have served as functional objects in nanotechnology and nano-materials science. Following conventional organic small molecules and polymers, dendrimers are now regarded as the third class of materials for use in organic light-emitting diodes (OLEDs) and have attracted much attention due to their distinguished properties. Dendrimers contain three distinct structural parts that are the core, end-groups, and branched units connecting core and periphery. For light-emitting dendrimers, the core is usually selected as the luminescent chromophore, and the dendrons and their periphery are charge transporting units and can also tune the solubility. In contrast to linear polymers, dendrimers are sphere-like with dimensions of the order of nanometers depending on the generation number. By careful structural design, dendrimers combine the potential advantages of both small molecules and polymers. Therefore, the innovative strategy different from conventional convergent and divergent routes has been required to simplify dendrimer synthesis. Recent solid chemistry is the click chemistry which is the copper-catalyzed 1,3-dipolar cycloaddition reaction between alkyne and azide developed by Sharpless and Tornφe. This reaction has many advantages: very high yields, mild and simple reaction conditions, oxygen and water tolerance, and easy isolation of product. This reaction is clearly a breakthrough in the synthesis of dendrimers and dendritic and polymer materials. We have developed the fusion and stitching methods for the synthesis of various dendrimers using click chemistry between an alkyne and an azide. Overall, this method was found to be a straightforward strategy for the synthesis of triazole-based dendrimers. Taking advantage of this fact, herein we report a feasible route

  1. Synthesis of Dendrimer Containing Carbazole Unit as a Core Chromophore

    Energy Technology Data Exchange (ETDEWEB)

    Han, Seung Choul; Lee, Jae Wook [Dong-A Univ., Busan (Korea, Republic of); Jin, Sungho [Pusan National Univ., Busan (Korea, Republic of)

    2012-10-15

    Dendrimers, which are prepared by repetition of a given set of reactions using either divergent or convergent strategies, are highly branched and regular macromolecules with well-defined structures and have served as functional objects in nanotechnology and nano-materials science. Following conventional organic small molecules and polymers, dendrimers are now regarded as the third class of materials for use in organic light-emitting diodes (OLEDs) and have attracted much attention due to their distinguished properties. Dendrimers contain three distinct structural parts that are the core, end-groups, and branched units connecting core and periphery. For light-emitting dendrimers, the core is usually selected as the luminescent chromophore, and the dendrons and their periphery are charge transporting units and can also tune the solubility. In contrast to linear polymers, dendrimers are sphere-like with dimensions of the order of nanometers depending on the generation number. By careful structural design, dendrimers combine the potential advantages of both small molecules and polymers. Therefore, the innovative strategy different from conventional convergent and divergent routes has been required to simplify dendrimer synthesis. Recent solid chemistry is the click chemistry which is the copper-catalyzed 1,3-dipolar cycloaddition reaction between alkyne and azide developed by Sharpless and Tornφe. This reaction has many advantages: very high yields, mild and simple reaction conditions, oxygen and water tolerance, and easy isolation of product. This reaction is clearly a breakthrough in the synthesis of dendrimers and dendritic and polymer materials. We have developed the fusion and stitching methods for the synthesis of various dendrimers using click chemistry between an alkyne and an azide. Overall, this method was found to be a straightforward strategy for the synthesis of triazole-based dendrimers. Taking advantage of this fact, herein we report a feasible route

  2. Bi(III)4-methylpiperidinedithiocarbamate coprecipitation procedure for separation-pre-concentration of trace metal ions in water samples by flame atomic absorption spectrometric determination

    International Nuclear Information System (INIS)

    A pre-concentration method was developed for determination of trace amounts of cadmium, copper and lead in water samples by FAAS after coprecipitation by using potassium 4-methylpiperidinedithiocarbamate (K4-MPDC) as a chelating agent and Bi(III) as a carrier element. This procedure is based on filtration of the solution containing precipitate on a cellulose nitrate membrane filter following Cd(II), Cu(II) and Pb(II) coprecipitation with Bi(III)4-MPDC and then the precipitates together with membrane filter were dissolved in concentrated nitric acid. The metal contents of the final solution were determined by FAAS. Several parameters including pH of sample solution, amount of carrier element and reagent, standing time, sample volume for precipitation and the effects of diverse ions were examined. The accuracy of the method was tested with standard reference material (MBH, C31XB20 and CRM BCR-32) and Cd, Cu and Pb added samples. Determination of Cd, Cu and Pb was carried out in sea water, river water and tap water samples. The recoveries were >95%. The relative standard deviations of determination were less than 10%

  3. OH− absorption and nonvolatile holographic storage properties in Mg:Ru:Fe:LiNbO3 crystal as a function of Mg concentration

    International Nuclear Information System (INIS)

    Mg:Ru:Fe:LiNbO3 crystals with various concentrations of MgO (in mole) and fixed content of RuO2 and Fe2O3 (in mass) are grown with the Czochralski method from the congruent melt. Their infrared transmission spectra are measured and discussed to investigate the defect structure. With the increase of Mg2+ concentration the blue nonvolatile holographic storage capability is enhanced. The nonvolatile holographic storage properties of dual-wavelength recording of Mg(7 mol%):Ru:Fe:LiNbO3 nonvolatile diffraction efficiency, response time, and nonvolatile sensitivity reach 59.8%, 70 s, and 1.04 cm/J, respectively. Comparing Mg(7 mol%):Ru:Fe:LiNbO3 with Ru:Fe:LiNbO3 crystal, the response time is shortened apparently. The nonvolatile diffraction efficiency and sensitivity are raised largely. The mechanism in blue photorefractive nonvolatile holographic storage is discussed. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

  4. Effect of Structural Modifications on the Self-Assembly of Oligoprolines Conjugated with Sterically Demanding Chromophores.

    Science.gov (United States)

    Lewandowska, Urszula; Zajaczkowski, Wojciech; Pisula, Wojciech; Ma, Yingjie; Li, Chen; Müllen, Klaus; Wennemers, Helma

    2016-03-01

    Conjugates between oligoprolines and sterically demanding perylene monoimides (PMIs) form hierarchical supramolecular self-assemblies. The influence of the length and stereochemistry at the attachment site between the peptide backbone and the chromophore on the self-assembly properties of the conjugates was explored. Comparison between oligoprolines bearing 4R- or 4S-configured azidoprolines (Azp) for the conjugation with the PMIs revealed that diastereoisomers with 4R configuration guide the self-assembly consistently better than conjugates with 4S configuration. Elongating the peptide chain beyond nine proline residues or introducing structural "errors", by altering the absolute configuration of one stereogenic center at the outside of the functionalizable oligoproline helix, lowered the efficacy of self-assembly significantly, both in solution phase and in the solid state. The results showed how subtle structural modifications allow for tuning the self-assembly of chromophores and provided further design principles for the development of peptide-chromophore conjugates into nanostructured materials. PMID:26891419

  5. A Diabatic Three-State Representation of Photoisomerization in the Green Fluorescent Protein Chromophore

    CERN Document Server

    Olsen, Seth

    2009-01-01

    We give a quantum chemical description of bridge photoisomerization reaction of green fluorescent protein (GFP) chromophores using a representation over three diabatic states. Bridge photoisomerization leads to non-radiative decay, and competes with fluorescence in these systems. In the protein, this pathway is suppressed, leading to fluorescence. Understanding the electronic structure of the photoisomerization is a prerequisite to understanding how the protein suppresses this pathway and preserves the emitting state of the chromophore. We present a solution to the state-averaged complete active space problem, which is spanned at convergence by three fragment-localized orbitals. We generate the diabatic-state representation by applying a block diagonalization transformation to the Hamiltonian calculated for the anionic chromophore model HBDI with multi-reference, multi-state perturbation theory. The diabatic states that emerge are charge-localized structures with a natural valence-bond interpretation. At plan...

  6. Chromophore-Based Luminescent Metal-Organic Frameworks as Lighting Phosphors.

    Science.gov (United States)

    Lustig, William P; Wang, Fangming; Teat, Simon J; Hu, Zhichao; Gong, Qihan; Li, Jing

    2016-08-01

    Energy-efficient solid-state-lighting (SSL) technologies are rapidly developing, but the lack of stable, high-performance rare-earth free phosphors may impede the growth of the SSL market. One possible alternative is organic phosphor materials, but these can suffer from lower quantum yields and thermal instability compared to rare-earth phosphors. However, if luminescent organic chromophores can be built into a rigid metal-organic framework, their quantum yields and thermal stability can be greatly improved. This Forum Article discusses the design of a group of such chromophore-based luminescent metal-organic frameworks with exceptionally high performance and rational control of the important parameters that influence their emission properties, including electronic structures of chromophore, coligands, metal ions, and guest molecules. PMID:27244591

  7. Determination of the absolute concentrations of H2O - D2O mixtures using the increase in sensitivity of infra-red absorption measurements

    International Nuclear Information System (INIS)

    A description is given in this report of original work concerning an infrared method for determining the absolute isotopic content of H2O - D2O mixtures. The spectrum is obtained, in both the liquid and the solid states, of water of unknown D2O content and of mixtures of this water and light water. The Beer-Lambert law-is Well followed in this case; the measurement of three parameters involved in this law is described together with a method of measuring the fourth parameter. The results obtained using infrared and nuclear resonance techniques are compared. The concentration of the 99.9960 per cent reference water is known with a precision of a least + 40 ppm - 20 ppm and very likely to ± 5 ppm. (author)

  8. Three-dimensional nonlinear optical chromophores based on metal-to-ligand charge-transfer from ruthenium(II) or iron(II) centers.

    Science.gov (United States)

    Coe, Benjamin J; Harris, James A; Brunschwig, Bruce S; Asselberghs, Inge; Clays, Koen; Garín, Javier; Orduna, Jesús

    2005-09-28

    In this article, we describe a series of new complex salts in which electron-rich transition-metal centers are coordinated to three electron-accepting N-methyl/aryl-2,2':4,4' ':4',4' ''-quaterpyridinium ligands. These complexes contain either Ru(II) or Fe(II) ions and have been characterized by using various techniques, including electronic absorption spectroscopy and cyclic voltammetry. Molecular quadratic nonlinear optical (NLO) responses beta have been determined by using hyper-Rayleigh scattering at 800 nm and also via Stark (electroabsorption) spectroscopic studies on the intense, visible d --> pi* metal-to-ligand charge-transfer bands. The latter experiments reveal that these putatively octupolar D(3) chromophores exhibit two substantial components of the beta tensor which are associated with transitions to dipolar excited states. Computations involving time-dependent density-functional theory and the finite field method serve to further illuminate the electronic structures and associated linear and NLO properties of the new chromophoric salts. PMID:16173774

  9. Photo-initiated dynamics and spectroscopy of the deprotonated Green Fluorescent Protein chromophore

    DEFF Research Database (Denmark)

    Bochenkova, Anastasia; Andersen, Lars Henrik

    2013-01-01

    -of-the-art electronic structure theory provide valuable insights into photo-initiated quantum dynamics and enable to disclose mechanisms of multiple intrinsic excited-state decay channels in the bare GFP chromophore anion. When taken out of the protein, the deprotonated chromophore exhibits the ultrafast excited state...... efficiently compete with each other in spite of their inherently different intrinsic timescales. The reason behind this is an efficient coupling between the nuclear and electronic motion in the photo-initiated dynamics, where the energy may be transferred from nuclei to electrons and from electrons to nuclei...

  10. A Dark Excited State of Fluorescent Protein Chromophores, Considered as Brooker Dyes

    CERN Document Server

    Olsen, Seth

    2010-01-01

    The green fluorescent protein (GFP) chromophore is an asymmetric monomethine dye system. In the resonance color theory of dyes, a strong optical excitation arises from interactions of two valence-bond structures with a third, higher structure. We use correlated quantum chemistry to show that the anionic chromophore is a resonant Brooker dye, and that the third structure corresponds to a higher stationary electronic state of this species. The excitation energy of this state should be just below the first excitation energy of the neutral form. This has implications for excited state mechanism in GFPs, which we discuss.

  11. Real-Time Probing of Structural Dynamics by Interaction between Chromophores

    DEFF Research Database (Denmark)

    Brogaard, Rasmus Y.; Møller, Klaus Braagaard; Sølling, Theis Ivan

    2011-01-01

    the cation in 1.6 ps. The real-time probing of the excited-state dynamics is made possible by exploiting the interaction between the two bromine chromophores and its dependence on molecular conformation. This experiment therefore illustrates the applicability of the concept of probing ultrafast......We present an investigation of structural dynamics in excited-state cations probed in real-time by femtosecond timeresolved ion photofragmentation spectroscopy. From photoelectron spectroscopy data on 1,3-dibromopropane we conclude that the pump pulse ionizes the molecule, populating an excited...... molecular dynamics using the intramolecular interaction between two chromophores....

  12. Derivatization/chromophore introduction of tranexamic acid and its HPLC determination in pharmaceutical formulations

    Directory of Open Access Journals (Sweden)

    M. Ashfaq

    2015-04-01

    Full Text Available A viable cost-effective and isocratic approach employing C-18 column (250 mm × 4.6 mm, 5 μm based HPLC has been utilized to separate and estimate the drug, tranexamic acid in pharmaceutical formulations. Tranexamic acid contains no π-electrons to act as fluorophore or chromophore hence pre-column derivatization was performed with benzene sulfonyl chloride in aqueous medium at room temperature. The derivatized drug was then estimated using C-18 column by exploiting a 25:75 (v/v solvent mixture of acetonitrile and 0.1 M ammonium acetate (pH 5.0 as the mobile phase. The flow rate of mobile phase was 1 mL/min and detection was performed at a wavelength of 232 nm using UV detector. Retention time of tranexamic acid was 4.42 min. The method followed linear regression equation in the concentration range of 1–100 μg/mL with co-efficient of determination equal to 0.9994. The limit of detection and limit of quantitation were 0.3 and 1 μg/mL, respectively. The relative standard deviation and recovery ranges for tranexamic acid were found to be 0.11–2.47% and 97.60–103.25%, respectively. The suggested method is very sensitive and may have the potential to be used for tranexamic acid detection in medicinal formulations.

  13. Packing of Large Two- and Three-Photon Activity Into Smallest Possible Unsymmetrical Fluorene Chromophores.

    Science.gov (United States)

    Kundi, Varun; Thankachan, Pompozhi Protasis

    2016-05-01

    The quantum chemical study of one-, two-, and three-photon absorption (1PA, 2PA, and 3PA) properties for a set of compact fluorene derivatives (FD) with combination of different donor and acceptor moieties on both sides of fluorene ring system is presented. The main goal of the study is to pack large two-photon (2P) and three-photon (3P) activity into smallest possible chromophore. Linear, quadratic, and cubic response time-dependent density functional theory was used to calculate 1PA, 2PA, and 3PA properties, respectively. We used CAMB3LYP/cc-pVDZ level of theory for all the property calculations. The 2P and 3P transition probabilities were recalculated using two-state model approach and found to be in good agreement with the response theory results for first excited state. To include the contributions from higher states, the three-state model was also employed to recalculate the 2P transition probabilities and found to be in excellent agreement with response theory. The 2P/3P tensor elements were also analyzed to find reasons behind large 2P/3P activities. All the orbitals involved in transition processes were studied in detail by both molecular orbital pictures (qualitatively) and overlap diagnostic Λ-values (quantitatively). The study reveals that the novel fluorene derivatives FD-12 and FD-13 have shown large 2PA cross-section values of 1100 G.M. and 1030 G.M.; and 3PA transition probabilities of 6.10 × 10(10) a.u. and 4.85 × 10(10) a.u., respectively, for transition S0 → S1. The largest 3PA transition probability of 4.04 × 10(11) a.u. was found with FD-12 for S0 → S2 excitation. The linear relationship between Λ-values and 2PA cross-section values was also studied. PMID:27054876

  14. Determination of Concentration of Nickel in tea by Graphite Furnace Atomic Absorption Spectrometry With Slurry Sampling%悬浮液进样石墨炉原子吸收法测定茶叶中镍含量

    Institute of Scientific and Technical Information of China (English)

    陈江; 周李; 姚恩亲

    2011-01-01

    本文介绍了一种悬浮液进样石墨炉原子吸收光谱法测定茶叶中镍含量的方法.讨论了悬浮液制备、样品粒径、取样量、悬浮液酸度及扣背景方式等因素对测定结果的影响.经优化后,方法检出限为0.32mg/kg,精密度3.64%,回收率102%.方法简单快速,效率高,劳动强度低,是测定茶叶中镍含量的高效方法.%The method of determining the concentration of Nickle in tea by graphite furnace atomic absorption spectrometry with slurry sampling is introduced. The effects of slurry preparation, particle size of sample,sampling quantity ,acid concentration cf slurry and the mode of background deduction on the determination are studied. Under the optimized operating conditions,the detection limit of this method is 0.32 mg/kg,the RSD is 3.64% and the recovery is 102%. The advantages of simple,fast and low labor intensity indicate that it is an effective method for determining the concentration of Nickel in tea.

  15. Measurement of the concentration ratio for 13N and 12N isotopes at atmospheric pressure by carbon dioxide absorption of diode laser radiation at ∼2 μm

    International Nuclear Information System (INIS)

    The ratio of 12NO2 and 13CO2 concentrations in the human exhaled air is measured by the method of diode laser spectroscopy using a three-channel optical scheme and multipass cell. Unlike the previous measurements in the spectral range of ∼4.3 μm with a resolved rotational structure at low pressure of selected samples, the present measurements are performed in the range of ∼2 μm, in which weaker absorption bands of CO2 reside. In this case, it is possible to employ lasers and photodetectors operating at room temperature. The thorough simulation of the spectrum with collisional broadening of lines and employment of regression analysis allow one to take measurements at atmospheric pressure with the accuracy of ∼0.04%, which satisfies the requirements to medical diagnostics of ulcers. (laser spectroscopy)

  16. Simultaneous pO2 and HbO2 measurement to determine absolute HbO2 concentration for in vivo near infrared spectroscopy

    OpenAIRE

    Macnab, Andrew J.; Gagnon, Roy; Gagnon, Faith; Minchinton, Andrew I.; Fryer, Karen H.

    2003-01-01

    Purpose: Near infrared spectroscopy (NIRS) monitors absolute changes in concentration of chromophores from an unquantified baseline. A change in oxygenation is required to obtain information. Clinically, knowing initial chromophore concentration is desirable. We sought absolute initial concentrations by combining NIRS measurements with simultaneous Eppendorf histograph measurement (absolute values of tissue partial pressure of oxygen (pO2)). Methods: There were 22 trials on 9 occasions in 2 a...

  17. Development and Characterization of Reactive Triangulenium Chromophores for Bioconjugation Applications

    DEFF Research Database (Denmark)

    Bora, Ilkay

    homodimeric rotor structure and a novel, highly absorptive homotrimeric rotor. Non-rotating reference compounds were as well prepared and used in comparison. These probes can serve as molecular viscometers, whose lifetimes and emission intensity show a linear dependence on the viscosity of their surrounding...... medium. Thus, they are able to detect fluid viscosity on the microscopic scale and can potentially find application in mapping viscosity differences in cells and tissue. In collaboration with my partners, the photophysical properties and their performance as viscosity sensors were investigated....

  18. Nucleic-Acid-Binding Chromophores as Efficient Indicators of Aptamer-Target Interactions

    Directory of Open Access Journals (Sweden)

    Kwabena Sarpong

    2012-01-01

    Full Text Available The binding affinity and specificity of nucleic acid aptamers have made them valuable candidates for use as sensors in diagnostic applications. In particular, chromophore-functionalized aptamers offer a relatively simple format for detection and quantification of target molecules. We describe the use of nucleic-acid-staining reagents as an effective tool for detecting and signaling aptamer-target interactions. Aptamers varying in size and structure and targeting a range of molecules have been used in conjunction with commercially available chromophores to indicate and quantify the presence of cognate targets with high sensitivity and selectivity. Our assay precludes the covalent modification of nucleic acids and relies on the differential fluorescence signal of chromophores when complexed with aptamers with or without their cognate target. We also evaluate factors that are critical for the stability of the complex between the aptamer and chromophore in presence or absence of target molecules. Our results indicate the possibility of controlling those factors to enhance the sensitivity of target detection by the aptamers used in such assays.

  19. Energy transfer studies of dye chromophores in modified zirconium phosphate framework

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Qing; Yan, Haijiao; Su, Yumin [College of Chemistry and Materials Science, Hebei Normal University, Shijiazhuang 050024, Hebei Province (China); Shi, Shikao, E-mail: ssk02@mails.tsinghua.edu.cn [College of Chemistry and Materials Science, Hebei Normal University, Shijiazhuang 050024, Hebei Province (China); Ye, Jianping [Key Laboratory of Photochemistry, Institute of Chemistry Chinese Academy of Science, Beijing 100080 (China)

    2014-08-01

    In this paper, a layered inorganic compound—modified zirconium phosphate was used as a framework to assemble fluorescein and rhodamine B dye chromophores. After the dye chromophores were bound to the layered framework, the evident energy transfer process from fluorescein (donor) to rhodamine B (acceptor) was observed, resulting in the dramatic luminescence enhancement for rhodamine B. Without the framework, such energy transfer was absent in aqueous solutions. The results manifest that the lamellar inorganic framework can provide suitable microenvironment to organize the dye chromophores in elaborate arrangements, and promote the intermolecular energy transfer. In addition, the fluorescent lifetime of the donor in different surroundings was analyzed, which further confirmed the energy transfer via a nonradiative process. - Highlights: • A modified zirconium phosphate was applied as a framework to assemble dye chromophores. • After Fl and RhB dyes were bound to the framework, the luminescence intensity for RhB dye was greatly enhanced. • The energy transfer process from Fl to RhB was confirmed in the framework. • The result is useful in the design of light harvesting complexes and photon antennas.

  20. Structure-reactivity relationships between fluorescent chromophores and antioxidant activity of grain and sweet sorghum seeds

    Science.gov (United States)

    Polyphenolic structures, such as tannins, are the putative cause of a variety of seed functions including bird/insect resistance and antioxidant activity. Structure-reactivity relationships are necessary to understand the influence of polyphenolic chromophore structures on the tannin content and fr...

  1. Effect of Solvation on Electron Detachment and Excitation Energies of a Green Fluorescent Protein Chromophore Variant.

    Science.gov (United States)

    Bose, Samik; Chakrabarty, Suman; Ghosh, Debashree

    2016-05-19

    Hybrid quantum mechanics/molecular mechanics (QM/MM) is applied to the fluorinated green fluorescent protein (GFP) chromophore (DFHBDI) in its deprotonated form to understand the solvatochromic shifts in its vertical detachment energy (VDE) and vertical excitation energy (VEE). This variant of the GFP chromophore becomes fluorescent in an RNA environment and has a wide range of applications in biomedical and biochemical fields. From microsolvation studies, we benchmark (with respect to full QM) the accuracy of our QM/MM calculations with effective fragment potential (EFP) as the MM method of choice. We show that while the solvatochromic shift in the VEE is minimal (0.1 eV blue shift) and its polarization component is only 0.03 eV, the effect of the solvent on the VDE is quite large (3.85 eV). We also show by accurate calculations on the solvatochromic shift of the VDE that polarization accounts for ∼0.23 eV and therefore cannot be neglected. The effect of the counterions on the VDE of the deprotonated chromophore in solvation is studied in detail, and a charge-smearing scheme is suggested for charged chromophores. PMID:27116477

  2. Electro-optic properties of hybrid solgel doped with a nonlinear chromophore with large hyperpolarizability.

    Science.gov (United States)

    Zhang, Hong Xi; Lu, Dong; Peyghambarian, Nasser; Fallahi, Mahmoud; Luo, Jing Dong; Chen, Bao Quan; Jen, Alex K Y

    2005-01-15

    We report the electro-optic properties of hybrid silica solgel doped with a nonlinear chromophore with large hyperpolarizability. Electro-optic coefficients of higher than 30 pm/V have been obtained. Moreover, the electro-optic coefficients have good temporal stability and show promise for the development of high-speed electro-optic devices. PMID:15675685

  3. Surface Absorption Polarization Sensors (SAPS), Final Technical Report, Laser Probing of Immobilized SAPS Actuators Component

    Energy Technology Data Exchange (ETDEWEB)

    Joseph I. Cline

    2010-04-22

    A novel hypothesized detection scheme for the detection of chemical agents was proposed: SAPS ``Surface-Adsorbed Polarization Sensors''. In this technique a thin layer of molecular rotors is adsorbed to a surface. The rotors can be energized by light absorption, but are otherwise locked in position or alternatively rotate slowly. Using polarized light, the adsorbed rotors are turned as an ensemble. Chemical agent (analyte) binding that alters the rotary efficiency would be detected by sensitive polarized absorption techniques. The mechanism of the SAPS detection can be mechanical, chemical, or photochemical: only a change in rotary efficiency is required. To achieve the goal of SAPS detection, new spectroscopic technique, polarized Normal Incidence Cavity Ringdown Spectroscopy (polarized NICRDS), was developed. The technique employs very sensitive and general Cavity Ringdown absorption spectroscopy along with the ability to perform polarized absorption measurements. Polarized absorption offers the ability to measure the angular position of molecular chromophores. In the new experiments a thin layer of SAPS sensors (roughly corresponding to a monolayer coverage on a surface) immobilized in PMMA. The PMMA layer is less than 100~nm thick and is spin-coated onto a flat fused-silica substrate. The new technique was applied to study the photoisomerization-driven rotary motion of a family of SAPS actuators based on a family of substituted dibenzofulvene rotors based upon 9-(2,2,2- triphenylethylidene)fluorene. By varying the substitution to include moieties such as nitro, amino, and cyano the absorption spectrum and the quantum efficiency of photoisomerization can be varied. This SAPS effect was readily detected by polarized NICRDS. The amino substituted SAPS actuator binds H+ to form an ammonium species which was shown to have a much larger quantum efficiency for photoisomerization. A thin layer of immobilized amino actuators were then shown by polarized NICRDS

  4. Control of the orientational order and nonlinear optical response of the "push-pull" chromophore RuPZn via specific incorporation into densely packed monolayer ensembles of an amphiphilic 4-helix bundle peptide: second harmonic generation at high chromophore densities.

    Science.gov (United States)

    Gonella, Grazia; Dai, Hai-Lung; Fry, H Christopher; Therien, Michael J; Krishnan, Venkata; Tronin, Andrey; Blasie, J Kent

    2010-07-21

    The macroscopic nonlinear optical response of the "push-pull" chromophore RuPZn incorporated into a single monolayer of the amphiphilic 4-helix bundle peptide (AP0) covalently attached to a solid substrate at high in-plane density has been measured. The second-order susceptibility, chi(zzz), was found to be in the range of approximately 15 x 10(-9) esu, consistent with a coherent sum of the nonlinear contributions from the individual chromophores (beta) as previously measured in isotropic solution through hyper-Rayleigh scattering as well as estimated from theoretical calculations. The microscopic hyperpolarizability of the RuPZn chromophore is preserved upon incorporation into the peptide monolayer, suggesting that the chromophore-chromophore interactions in the densely packed ensemble do not substantially affect the first-order molecular hyperpolarizability. The polarization angle dependence of the second harmonic signal reveals that the chromophore is vectorially oriented in the two-dimensional ensemble. Analysis of the order parameter together with information obtained from grazing incidence X-ray diffraction help in determining the chromophore orientation within the AP0-RuPZn monolayer. Taking into account an average pitch angle of approximately 20 degrees characterizing the coiled-coil structure of the peptide bundle, the width of the bundle's tilt angle distribution should be sigma < or = 20 degrees, resulting in a mean value of the tilt angle 23 degrees < or = theta(0) < or = 37 degrees. PMID:20578696

  5. Strong electron donation induced differential nonradiative decay pathways for para and meta GFP chromophore analogues.

    Science.gov (United States)

    Chatterjee, Tanmay; Mandal, Mrinal; Gude, Venkatesh; Bag, Partha Pratim; Mandal, Prasun K

    2015-08-28

    Z-E Isomerisation because of rotation around the exocyclic double bond (known as the τ-twist) and not any other internal conversion has been reported to be the major nonradiative decay channel for non-hydroxylic unconstrained para and meta GFP chromophore analogues. The equation Φf + 2ΦZE = 1 has been shown to hold well for both para and meta GFP chromophore analogues. If the above equation holds true, then upon reducing the extent of Z-E isomerisation (ΦZE), the fluorescence quantum yield (Φf) should increase. To probe the above proposition two sets of non-hydroxylic unconstrained para and meta GFP chromophore analogues were synthesized. Quite interestingly by introducing the strongly electron donating -NEt2 group to the benzenic moiety these para and meta GFP chromophore analogues were shown to exhibit differential optical behaviour w.r.t. the extent of the solvatochromic shift, Φf, ΦZE, and τf. For the first time it has been shown that the well accepted equation Φf + 2ΦZE = 1 does not hold at all for these non-hydroxylic unconstrained meta analogues. Although ΦZE has been shown to be value for these meta analogues. After detailed investigation into the nonradiative excited state decay channel, contrary to literature reports, energy gap law governed internal conversion and not Z-E isomerisation was shown to be the major nonradiative decay channel for these meta analogues. Two models are put forward to understand the differential optical behaviour of these para and meta GFP chromophore analogues. Support from X-ray crystal structures, NMR experiments, and computational calculations has also been provided. PMID:26176350

  6. Femtosecond infrared spectroscopy of channelrhodopsin-1 chromophore isomerization

    Science.gov (United States)

    Stensitzki, T.; Yang, Y.; Muders, V.; Schlesinger, R.; Heberle, J.; Heyne, K.

    2016-01-01

    Vibrational dynamics of the retinal all-trans to 13-cis photoisomerization in channelrhodopsin-1 from Chlamydomonas augustae (CaChR1) was investigated by femtosecond visible pump mid-IR probe spectroscopy. After photoexcitation, the transient infrared absorption of C-C stretching modes was detected. The formation of the 13-cis photoproduct marker band at 1193 cm−1 was observed within the time resolution of 0.3 ps. We estimated the photoisomerization yield to (60 ± 6) %. We found additional time constants of (0.55 ± 0.05) ps and (6 ± 1) ps, assigned to cooling, and cooling processes with a back-reaction pathway. An additional bleaching band demonstrates the ground-state heterogeneity of retinal.

  7. Femtosecond infrared spectroscopy of channelrhodopsin-1 chromophore isomerization.

    Science.gov (United States)

    Stensitzki, T; Yang, Y; Muders, V; Schlesinger, R; Heberle, J; Heyne, K

    2016-07-01

    Vibrational dynamics of the retinal all-trans to 13-cis photoisomerization in channelrhodopsin-1 from Chlamydomonas augustae (CaChR1) was investigated by femtosecond visible pump mid-IR probe spectroscopy. After photoexcitation, the transient infrared absorption of C-C stretching modes was detected. The formation of the 13-cis photoproduct marker band at 1193 cm(-1) was observed within the time resolution of 0.3 ps. We estimated the photoisomerization yield to (60 ± 6) %. We found additional time constants of (0.55 ± 0.05) ps and (6 ± 1) ps, assigned to cooling, and cooling processes with a back-reaction pathway. An additional bleaching band demonstrates the ground-state heterogeneity of retinal. PMID:27191011

  8. Investigation of (235)U, (226)Ra, (232)Th, (40)K, (137)Cs, and heavy metal concentrations in Anzali international wetland using high-resolution gamma-ray spectrometry and atomic absorption spectroscopy.

    Science.gov (United States)

    Zare, Mohammad Reza; Kamali, Mahdi; Fallahi Kapourchali, Maryam; Bagheri, Hashem; Khoram Bagheri, Mahdi; Abedini, Ali; Pakzad, Hamid Reza

    2016-02-01

    Measurements of natural radioactivity levels and heavy metals in sediment and soil samples of the Anzali international wetland were carried out by two HPGe-gamma ray spectrometry and atomic absorption spectroscopy techniques. The concentrations of (235)U, (226)Ra, (232)Th, (40)K, and (137)Cs in sediment samples ranged between 1.05 ± 0.51-5.81 ± 0.61, 18.06 ± 0.63-33.36 ± .0.34, 17.57 ± 0.38-45.84 ± 6.23, 371.88 ± 6.36-652.28 ± 11.60, and 0.43 ± 0.06-63.35 ± 0.94 Bq/kg, while in the soil samples they vary between 2.36-5.97, 22.71-38.37, 29.27-42.89, 472.66-533, and 1.05-9.60 Bq/kg for (235)U, (226)Ra, (232)Th, (40)K, and (137)Cs, respectively. Present results are compared with the available literature data and also with the world average values. The radium equivalent activity was well below the defined limit of 370 Bq/kg. The external hazard indices were found to be less than 1, indicating a low dose. Heavy metal concentrations were found to decrease in order as Fe > Mn > Sr > Zn > Cu > Cr > Ni > Pb > Co > Cd. These measurements will serve as background reference levels for the Anzali wetland. PMID:26490904

  9. Optimization of spectral sensitivities of mosaic five-band camera for estimating chromophore densities from skin images including shading and surface reflections

    Science.gov (United States)

    Hirose, Misa; Akaho, Rina; Maita, Chikashi; Sugawara, Mai; Tsumura, Norimichi

    2016-06-01

    In this paper, the spectral sensitivities of a mosaic five-band camera were optimized using a numerical skin phantom to perform the separation of chromophore densities, shading and surface reflection. To simulate the numerical skin phantom, the spectral reflectance of skin was first calculated by Monte Carlo simulation of photon migration for different concentrations of melanin, blood and oxygen saturation levels. The melanin and hemoglobin concentration distributions used in the numerical skin phantom were obtained from actual skin images by independent component analysis. The calculated components were assigned as concentration distributions. The spectral sensitivities of the camera were then optimized using a nonlinear technique to estimate the spectral reflectance for skin separation. In this optimization, the spectral sensitivities were assumed to be normally distributed, and the sensor arrangement was identical to that of a conventional mosaic five-band camera. Our findings demonstrated that spectral estimation could be significantly improved by optimizing the spectral sensitivities.

  10. 近红外吸收法测定船舶含油污水浓度的研究%Near Infrared Absorption Method for the Determination of the Concentration of the Ship Oily Water

    Institute of Scientific and Technical Information of China (English)

    游学军

    2012-01-01

    针对传统的船舶油污排放检测都是事后检测,不能进行在线检测,检测手段复杂,工序繁琐的问题,提出近红外吸收法技术来实现船舶排放的含油污水浓度的在线检测.测试过程中样品不需要萃取、分离等预处理,故无需药剂,无消耗品,没有污染.由于在测量中水样和传感器没有直接接触,减少了悬浮颗粒物对测量产生的影响.与各种传统的油污检测方法不同,利用近红外光吸收原理进行船舶漏油的在线检测有准确性高、涵盖区域较大、无滞后性、价格低廉的特点.%According to the spread of traditional oil pollution emission testing are later check and can't online testing, detection means is complex, process trival problem. Near infrared absorption method proposed technology to realize ship emissions of oily water concentration of on-line detection. During the test sample extraction, separation and don't need, so no drug, pretreatment no consumables, no pollution. As in the measurement of water samples and sensor no direct contact, reduced the suspension particle on measuring influence. With all the existing measuring method of sewage oil share, compared with near infrared absorption principle of oil share the detection of the high sensitivity and test a wider range, strong real-time property, the characteristics of low cost.

  11. Tuning the Electronic Absorption of Protein-Embedded All-trans-Retinal

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Wenjing [Michigan State Univ., East Lansing, MI (United States); Nossoni, Zahra [Michigan State Univ., East Lansing, MI (United States); Berbasova, Tetyana [Michigan State Univ., East Lansing, MI (United States); Watson, Camille T. [Michigan State Univ., East Lansing, MI (United States); Yapici, Ipek [Michigan State Univ., East Lansing, MI (United States); Lee, Kin Sing Stephen [Michigan State Univ., East Lansing, MI (United States); Vasileiou, Chrysoula [Michigan State Univ., East Lansing, MI (United States); Geiger, James H. [Michigan State Univ., East Lansing, MI (United States); Borhan, Babak [Michigan State Univ., East Lansing, MI (United States)

    2014-10-02

    Protein-chromophore interactions are a central component of a wide variety of critical biological processes such as color vision and photosynthesis. To understand the fundamental elements that contribute to spectral tuning of a chromophore inside the protein cavity, we redesigned human cellular retinol binding protein II (hCRBPII) to fully encapsulate all-trans-retinal and form a covalent bond as a protonated Schiff base. The system, using rational mutagenesis designed to alter the electrostatic environment within the binding pocket of the host protein, enabled regulation of the absorption maximum of the pigment in the range of 425 to 644 nanometers. Moreover, with only nine point mutations, the hCRBPII mutants induced a systematic shift in the absorption profile of all-trans-retinal of more than 200 nanometers across the visible spectrum.

  12. A XANES study of chromophores in archaeological glass

    Energy Technology Data Exchange (ETDEWEB)

    Arletti, Rossella [Universita di Torino, Dipartimento di Scienze della Terra, Torino (Italy); Quartieri, Simona [Universita di Messina, Dipartimento di Fisica e Scienze della Terra, Messina S' Agata (Italy); Freestone, Ian C. [Institute of Archaeology, London (United Kingdom)

    2013-04-15

    We applied X-ray absorption near edge spectroscopy (XANES) to obtain information on the origin of glass colour of several archaeological samples and on the oxidation conditions employed during their production. We studied a series of selected glass fragments - mainly from excavated primary and secondary production centres and dated to the first millennium AD - containing iron and manganese in a wide compositional range. In most of the studied samples iron is rather oxidised, while Mn K-edge XANES data show that, in all the studied glasses, Mn is mainly present in its reduced form (predominantly 2+), with the possible subordinate presence of Mn{sup 3+}. The most oxidised samples are the HIMT (high iron manganese titanium) glasses, while the less oxidised ones belong to the primary natron glass series from the early Islamic tank furnaces at Bet Eliezer (Israel), and to the series coming from a Roman glass workshop excavated in Basinghall Street, London. In these glasses, iron is approximately equally distributed over the 2+ and 3+ oxidation states. The XANES analyses of two glasses which had been deliberately decolourized using Sb- and Mn-based decolourizers demonstrate that Sb is more effective than Mn as oxidant. (orig.)

  13. A XANES study of chromophores in archaeological glass

    International Nuclear Information System (INIS)

    We applied X-ray absorption near edge spectroscopy (XANES) to obtain information on the origin of glass colour of several archaeological samples and on the oxidation conditions employed during their production. We studied a series of selected glass fragments - mainly from excavated primary and secondary production centres and dated to the first millennium AD - containing iron and manganese in a wide compositional range. In most of the studied samples iron is rather oxidised, while Mn K-edge XANES data show that, in all the studied glasses, Mn is mainly present in its reduced form (predominantly 2+), with the possible subordinate presence of Mn3+. The most oxidised samples are the HIMT (high iron manganese titanium) glasses, while the less oxidised ones belong to the primary natron glass series from the early Islamic tank furnaces at Bet Eliezer (Israel), and to the series coming from a Roman glass workshop excavated in Basinghall Street, London. In these glasses, iron is approximately equally distributed over the 2+ and 3+ oxidation states. The XANES analyses of two glasses which had been deliberately decolourized using Sb- and Mn-based decolourizers demonstrate that Sb is more effective than Mn as oxidant. (orig.)

  14. Generation dependent singlet–singlet annihilation within multichromophoric dendrimers studied by polychromatic transient absorption

    OpenAIRE

    Jordens, Sven; Belder, Gino De; Lor, Marc; Schweitzer, Gerd; Van der Auweraer, Mark; Weil, Tanja; Herrmann, Andreas; Wiesler, Uwe-M.; Müllen, Klaus; de Schryver, Frans C.

    2003-01-01

    Intramolecular kinetic processes in a series of shape-persistent meta- and para-substituted polyphenylene dendrimers bearing different peryleneimide chromophores at the rim have been investigated using time-resolved polychromatic transient absorption measurements. The influence of the generation number and different substitution patterns upon these processes was revealed by comparing different compounds. In particular, in multichromophoric systems a singlet–singlet annihilation process was de...

  15. UV Absorption and Luminescence Spectra of [2.2]Paracyclophane Phenyl Derivatives

    Science.gov (United States)

    Nurmukhametov, R. N.; Shapovalov, A. V.; Antonov, D. Yu.

    2016-03-01

    UV absorption, fluorescence emission and excitation, and fluorescence excitation synchronous scanning spectra at 298 K and fluorescence and phosphorescence spectra at 77 K were measured for solutions of 4-phenyl- ( I) and 4,12-( II), 4,15- ( III), and 4,16-diphenyl derivatives ( IV) of [2.2]paracyclophane. Analysis of absorption spectra shows that they are determined by two types of chromophores (biphenyl and paracyclophane). It was shown that their weak long wavelength band (310-340 nm) and fluorescence band are governed by the same electron transition from the ground to an excimer-like excited state, as in the case of the unsubstituted macrocycle. Phenyl substitution shows only a weak influence on the energy of this transition. Strong absorption bands of I- IV at 230-310 nm originate from electronic transitions of biphenyl groups in these molecules. The strong bands of isomeric II- IV (with two biphenyl chromophores) differ significantly. It was supposed that this phenomenon was caused by different resonance interaction between electron oscillators (transitions) of the two biphenyl chromophores leading to different splitting of their excited states.

  16. Non-adiabatic dynamics of isolated green fluorescent protein chromophore anion

    International Nuclear Information System (INIS)

    On-the-fly ab initio molecular dynamics calculations have been performed to investigate the relaxation mechanism of green fluorescent protein chromophore anion under vacuum. The CASSCF surface hopping simulation method based on Zhu-Nakamura theory is applied to present the real-time conformational changes of the target molecule. The static calculations and dynamics simulation results suggest that not only the twisting motion around bridging bonds between imidazolinone and phenoxy groups but the strength mode of C=O and pyramidalization character of bridging atom are major factors on the ultrafast fluorescence quenching process of the isolated chromophore anion. The abovementioned factors bring the molecule to the vicinity of conical intersections on its potential energy surface and to finish the internal conversion process. A Hula-like twisting pattern is displayed during the relaxation process and the entire decay process disfavors a photoswitching pattern which corresponds to cis-trans photoisomerization

  17. Synthesis of a novel organic nonlinear optical chromophore and the Testing for µg β Value

    Science.gov (United States)

    Han, Li-Kun; Jiang, Ya-Dong; Li, Wei; Cai, Yuan

    2007-01-01

    A novel second-order nonlinear optical chromophore (DCDHF-2-V) was synthesized from 3-Hydroxy-3-methyl-2-butanae, propanedinitrile and 4-diethylaminobenzaldehyde by aldol condensation reaction. Molecular structural characterization was investigated by elemental analysis, FTIR, and 1H-NMR spectra. The melting point obtained from DSC thermogram was almost 251 °C, and the compound shows a thermal stability up to 270 °C. Second-order NLO properties of the chromophore were measured by solvatochromic method. From the quantum-mechanical two-level model, it can be obtained that the µg β value of DCDHF-2-V is 6520 × 10-48esu at the wavelength of 1064 nm.

  18. Non-adiabatic dynamics of isolated green fluorescent protein chromophore anion

    Science.gov (United States)

    Zhao, Li; Zhou, Pan-Wang; Li, Bin; Gao, Ai-Hua; Han, Ke-Li

    2014-12-01

    On-the-fly ab initio molecular dynamics calculations have been performed to investigate the relaxation mechanism of green fluorescent protein chromophore anion under vacuum. The CASSCF surface hopping simulation method based on Zhu-Nakamura theory is applied to present the real-time conformational changes of the target molecule. The static calculations and dynamics simulation results suggest that not only the twisting motion around bridging bonds between imidazolinone and phenoxy groups but the strength mode of C=O and pyramidalization character of bridging atom are major factors on the ultrafast fluorescence quenching process of the isolated chromophore anion. The abovementioned factors bring the molecule to the vicinity of conical intersections on its potential energy surface and to finish the internal conversion process. A Hula-like twisting pattern is displayed during the relaxation process and the entire decay process disfavors a photoswitching pattern which corresponds to cis-trans photoisomerization.

  19. Non-adiabatic dynamics of isolated green fluorescent protein chromophore anion

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Li, E-mail: zhaoli282@dicp.ac.cn, E-mail: pwzhou@dicp.ac.cn, E-mail: libinsnet@dicp.ac.cn, E-mail: aihuagao@dicp.ac.cn; Gao, Ai-Hua, E-mail: zhaoli282@dicp.ac.cn, E-mail: pwzhou@dicp.ac.cn, E-mail: libinsnet@dicp.ac.cn, E-mail: aihuagao@dicp.ac.cn [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China); University of the Chinese Academy of Sciences, Beijing 100049 (China); Zhou, Pan-Wang, E-mail: zhaoli282@dicp.ac.cn, E-mail: pwzhou@dicp.ac.cn, E-mail: libinsnet@dicp.ac.cn, E-mail: aihuagao@dicp.ac.cn; Li, Bin, E-mail: zhaoli282@dicp.ac.cn, E-mail: pwzhou@dicp.ac.cn, E-mail: libinsnet@dicp.ac.cn, E-mail: aihuagao@dicp.ac.cn; Han, Ke-Li, E-mail: klhan@dicp.ac.cn [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China)

    2014-12-21

    On-the-fly ab initio molecular dynamics calculations have been performed to investigate the relaxation mechanism of green fluorescent protein chromophore anion under vacuum. The CASSCF surface hopping simulation method based on Zhu-Nakamura theory is applied to present the real-time conformational changes of the target molecule. The static calculations and dynamics simulation results suggest that not only the twisting motion around bridging bonds between imidazolinone and phenoxy groups but the strength mode of C=O and pyramidalization character of bridging atom are major factors on the ultrafast fluorescence quenching process of the isolated chromophore anion. The abovementioned factors bring the molecule to the vicinity of conical intersections on its potential energy surface and to finish the internal conversion process. A Hula-like twisting pattern is displayed during the relaxation process and the entire decay process disfavors a photoswitching pattern which corresponds to cis-trans photoisomerization.

  20. Second-order nonlinear optical activity vs. chromophore content in simple organic glass/PMMA system

    Science.gov (United States)

    Lee, Seung Mook; Jahng, Woong Sang; Lee, Jin Hyun; Rhee, Bum Ku; Park, Ki Hong

    2005-08-01

    A simple organic glass with a connection of two nonlinear optical (NLO) moieties was synthesized by condensation reaction of alkyl-substituted dibenzaldehyde with barbituric acid. This organic glass with Tg of 81 °C was formed to be optically transparent films without any phase separation even at the highest chromophore content (100 wt% loading without host matrix). The second-order NLO properties with various organic glass/PMMA composition systems were systematically studied by Maker fringe method at a wavelength of 1064 nm. We demonstrate that second-order optical nonlinearity of this organic glass/PMMA system can be progressively enlarged with increasing chromophore loading from 0 to 100 wt%.

  1. Synthesis and nonlinear optical properties of a peripherally functionalized hyperbranched polymer by DR1 chromophores.

    Science.gov (United States)

    Scarpaci, Annabelle; Blart, Errol; Montembault, Véronique; Fontaine, Laurent; Rodriguez, Vincent; Odobel, Fabrice

    2009-08-01

    The first peripheral postfunctionalization of a hyperbranched polyimide by nonlinear optic chromophores (DR1 derivative) was achieved using two different routes. The first one consists in the esterification of the terminal carboxylic acid groups, whereas the second is based on copper-catalyzed Huisgen reaction of the terminal propargylic ester groups. The resulting polymers display good solubility in classical organic solvents and good filmability because thick films can be prepared (up to 2.7 mum). The second-order nonlinear optical properties were measured by SHG at 1064 nm and we show that these hyperbranched polymers exhibit good poling efficiency and good thermal stability since the electro-optic activity remains stable up to 130 degrees C. These results illustrate the potential of hyperbranched polymers to host second-order nonlinear optical chromophores to replace dendrimers or classical linear polymers generally used in this area. PMID:20355797

  2. Photo-fragmentation and electron-detachment studies of gas-phase chromophore ions

    DEFF Research Database (Denmark)

    Rahbek, Dennis Bo

    . Depending on the function of the protein, this may result in human vision, emission of light at a higher wavelength, fluorescence, or harvesting of energy used as an energy source by bacteria, algae or plants. The interaction between these chromophores and the surrounding protein is crucial for fine...... excitation energy. This results in a competition between de-excitation by internal conversion and electron emission. Both of these processes are of non-adiabatic character as they rely on coupling between electronic energy and energy in nuclear motion. Moreover, it is found that higher-lying states...... by using action spectroscopy and photoelectron spectroscopy. Fromthe experimental results, we have realized that these two chromophores in the deprotonated form have important common photo-physical properties. For bothmodels it is shown that the vertical detachment energy lies slightly above the vertical...

  3. A DNA-Fullerene Conjugate as a Template for Supramolecular Chromophore Assemblies: Towards DNA-Based Solar Cells.

    Science.gov (United States)

    Ensslen, Philipp; Gärtner, Stefan; Glaser, Konstantin; Colsmann, Alexander; Wagenknecht, Hans-Achim

    2016-01-01

    A fullerene was covalently attached to a (dA)20 template that serves as structural scaffold to self-assemble an ordered and mixed array of ethynyl-pyrene- and ethynyl-Nile-red-nucleoside conjugates. Fluorescence spectroscopy revealed evidence for energy transfer between the two different chromophores. Moreover, fluorescence quenching is significantly enhanced by the attached fullerene in mixed assemblies of different chromophore ratios. This indicates exciton dissociation by electron transfer from the photo-generated exciton on the chromophore stack to the fullerene. The fullerene-DNA-conjugate was integrated as a photo-active layer in solar cells that showed charge-carrier generation in the spectral regime of all three components of the conjugate. This work clearly demonstrates that DNA is suitable as structural element for chromophore assemblies in future organic optoelectronic devices, such as solar cells. PMID:26689149

  4. PHOTOREACTIVITY OF CHROMOPHORIC DISSOLVED ORGANIC MATTER (CDOM) DERIVED FROM DECOMPOSITION OF VARIOUS VASCULAR PLANT AND ALGAL SOURCES

    Science.gov (United States)

    Chromophoric dissolved organic matter (CDOM) in aquatic environments is derived from the microbial decomposition of terrestrial and microbial organic matter. Here we present results of studies of the spectral properties and photoreactivity of the CDOM derived from several organi...

  5. Effect of intercalation and chromophore arrangement on the linear and nonlinear optical properties of model aminopyridine push – pull molecules

    Czech Academy of Sciences Publication Activity Database

    Bureš, F.; Cvejn, D.; Melánová, Klára; Beneš, L.; Svoboda, Jan; Zima, Vítězslav; Pytela, O.; Mikysek, T.; Růžičková, Z.; Kityk, V.I.; Wojciechowski, A.; AlZayed, N.

    2016-01-01

    Roč. 4, č. 3 (2016), 468-478. ISSN 2050-7526 Institutional support: RVO:61389013 Keywords : push-pull chromophore * intercalation * layered phosphates Subject RIV: CA - Inorganic Chemistry Impact factor: 4.696, year: 2014

  6. Cellular chromophores and signaling in low level light therapy

    Science.gov (United States)

    Hamblin, Michael R.; Demidova-Rice, Tatiana N.

    2007-02-01

    The use of low levels of visible or near infrared light (LLLT) for reducing pain, inflammation and edema, promoting healing of wounds, deeper tissues and nerves, and preventing tissue damage by reducing cellular apoptosis has been known for almost forty years since the invention of lasers. Originally thought to be a peculiar property of laser light (soft or cold lasers), the subject has now broadened to include photobiomodulation and photobiostimulation using non-coherent light. Despite many reports of positive findings from experiments conducted in vitro, in animal models and in randomized controlled clinical trials, LLLT remains controversial. This likely is due to two main reasons; firstly the biochemical mechanisms underlying the positive effects are incompletely understood, and secondly the complexity of rationally choosing amongst a large number of illumination parameters such as wavelength, fluence, power density, pulse structure and treatment timing has led to the publication of a number of negative studies as well as many positive ones. In recent years major advances have been made in understanding the mechanisms that operate at the cellular and tissue levels during LLLT. Mitochondria are thought to be the main site for the initial effects of light and specifically cytochrome c oxidase that has absorption peaks in the red and near infrared regions of the electromagnetic spectrum matches the action spectra of LLLT effects. The discovery that cells employ nitric oxide (NO) synthesized in the mitochondria by neuronal nitric oxide synthase, to regulate respiration by competitive binding to the oxygen binding of cytochrome c oxidase, now suggests how LLLT can affect cell metabolism. If LLLT photodissociates inhibitory NO from cytochrome c oxidase, this would explain increased ATP production, modulation of reactive oxygen species, reduction and prevention of apoptosis, stimulation of angiogenesis, increase of blood flow and induction of transcription factors. In

  7. Blue-Coloured Highly Efficient Dye-Sensitized Solar Cells by Implementing the Diketopyrrolopyrrole Chromophore

    OpenAIRE

    Jun-Ho Yum; Thomas W. Holcombe; Yongjoo Kim; Kasparas Rakstys; Thomas Moehl; Joel Teuscher; Delcamp, Jared H.; Nazeeruddin, Mohammed K.; Michael Grätzel

    2013-01-01

    The paradigm shift in dye sensitized solar cells (DSCs) – towards donor- π bridge-acceptor (D-π-A) dyes – increases the performances of DSCs and challenges established design principles. Framed by this shifting landscape, a series of four diketopyrrolopyrrole (DPP)-based sensitizers utilizing the donor-chromophore-anchor (D-C-A) motif were investigated computationally, spectroscopically, and fabricated by systematic evaluation of finished photovoltaic cells. In all cases, the [Co(bpy)3]3+/2+ ...

  8. SuperNova, a monomeric photosensitizing fluorescent protein for chromophore-assisted light inactivation

    OpenAIRE

    Kiwamu Takemoto; Tomoki Matsuda; Naoki Sakai; Donald Fu; Masanori Noda; Susumu Uchiyama; Ippei Kotera; Yoshiyuki Arai; Masataka Horiuchi; Kiichi Fukui; Tokiyoshi Ayabe; Fuyuhiko Inagaki; Hiroshi Suzuki; Takeharu Nagai

    2013-01-01

    Chromophore-assisted light inactivation (CALI) is a powerful technique for acute perturbation of biomolecules in a spatio-temporally defined manner in living specimen with reactive oxygen species (ROS). Whereas a chemical photosensitizer including fluorescein must be added to specimens exogenously and cannot be restricted to particular cells or sub-cellular compartments, a genetically-encoded photosensitizer, KillerRed, can be controlled in its expression by tissue specific promoters or subce...

  9. Chromophore maturation and fluorescence fluctuation spectroscopy of fluorescent proteins in a cell-free expression system

    OpenAIRE

    Macdonald, Patrick J.; Chen, Yan; Mueller, Joachim D.

    2011-01-01

    Cell-free synthesis, a method for the rapid expression of proteins, is increasingly used to study interactions of complex biological systems. GFP and its variants have become indispensable for fluorescence studies in live cells and are equally attractive as reporters for cell-free systems. This work investigates the use of fluorescence fluctuation spectroscopy (FFS) as a tool for quantitative analysis of protein interactions in cell-free expression systems. We also explore chromophore maturat...

  10. A Diabatic Three-State Representation of Photoisomerization in the Green Fluorescent Protein Chromophore

    OpenAIRE

    Olsen, Seth; McKenzie, Ross H.

    2009-01-01

    We give a quantum chemical description of bridge photoisomerization reaction of green fluorescent protein (GFP) chromophores using a representation over three diabatic states. Bridge photoisomerization leads to non-radiative decay, and competes with fluorescence in these systems. In the protein, this pathway is suppressed, leading to fluorescence. Understanding the electronic structure of the photoisomerization is a prerequisite to understanding how the protein suppresses this pathway and pre...

  11. The third chromophore of DNA photolyase: Trp-277 of Escherichia coli DNA photolyase repairs thymine dimers by direct electron transfer.

    OpenAIRE

    Kim, S. T.; Li, Y. F.; Sancar, A

    1992-01-01

    Photolyases repair pyrimidine dimers in DNA by converting the light energy of 300- to 500-nm photons into chemical energy. Enzymes from various organisms contain two chromophore cofactors (FADH2 and either methenyltetrahydrofolate or 8-hydroxy-5-deazaflavin) that absorb the low-energy photons and initiate splitting of the cyclobutane ring by a radical mechanism. Here, we show that, in addition to these two chromophores, in the far UV range, direct excitation of one specific tryptophan residue...

  12. Chromophores from photolyzed ammonia reacting with acetylene: Application to Jupiters Great Red Spot

    Science.gov (United States)

    Carlson, Robert W.; Baines, Kevin H.; Anderson, M. S.; Filacchione, G.; Simon, A. A.

    2016-01-01

    The high altitude of Jupiter's Great Red Spot (GRS) may enhance the upward flux of gaseous ammonia (NH3 ) into the high troposphere, where NH3 molecules can be photodissociated and initiate a chain of chemical reactions with downwelling acetylene molecules (C2H2 ). These reactions, experimentally studied earlier by (Ferris and Ishikawa [1987] Nature 326, 777-778) and (Ferris and Ishikawa [1988] J. Amer. Chem. Soc. 110, 4306-4312), produce chromophores that absorb in the visible and ultraviolet regions. In this work we photolyzed mixtures of NH3 and C2H2 using ultraviolet radiation with a wavelength of 214 nm and measured the spectral transmission of the deposited films in the visible region (400-740 nm). From these transmission data we estimated the imaginary indices of refraction. Assuming that ammonia grains at the top of the GRS clouds are coated with this material, we performed layered sphere and radiative transfer calculations to predict GRS reflection spectra. Comparison of those results with observed and previously unreported Cassini visible spectra and with true-color images of the GRS show that the unknown GRS chromophore is spectrally consistent with the coupled NH3-C2H2 photochemical products produced in our laboratory experiments. Using high-resolution mass spectrometry and infrared spectroscopy we infer that the chromophore-containing residue is composed of aliphatic azine, azo, and diazo compounds.

  13. Minimal domain of bacterial phytochrome required for chromophore binding and fluorescence

    Science.gov (United States)

    Rumyantsev, Konstantin A.; Shcherbakova, Daria M.; Zakharova, Natalia I.; Emelyanov, Alexander V.; Turoverov, Konstantin K.; Verkhusha, Vladislav V.

    2015-12-01

    Fluorescent proteins (FP) are used to study various biological processes. Recently, a series of near-infrared (NIR) FPs based on bacterial phytochromes was developed. Finding ways to improve NIR FPs is becoming progressively important. By applying rational design and molecular evolution we have engineered R. palustris bacterial phytochrome into a single-domain NIR FP of 19.6 kDa, termed GAF-FP, which is 2-fold and 1.4-fold smaller than bacterial phytochrome-based NIR FPs and GFP-like proteins, respectively. Engineering of GAF-FP involved a substitution of 15% of its amino acids and a deletion of the knot structure. GAF-FP covalently binds two tetrapyrrole chromophores, biliverdin (BV) and phycocyanobilin (PCB). With the BV chromophore GAF-FP absorbs at 635 nm and fluoresces at 670 nm. With the PCB chromophore GAF-FP becomes blue-shifted and absorbs at 625 nm and fluoresces at 657 nm. The GAF-FP structure has a high tolerance to small peptide insertions. The small size of GAF-FP and its additional absorbance band in the violet range has allowed for designing a chimeric protein with Renilla luciferase. The chimera exhibits efficient non-radiative energy transfer from luciferase to GAF-FP, resulting in NIR bioluminescence. This study opens the way for engineering of small NIR FPs and NIR luciferases from bacterial phytochromes.

  14. Controlling electron emission from the photoactive yellow protein chromophore by substitution at the coumaric acid group.

    Science.gov (United States)

    Parkes, Michael A; Phillips, Ciara; Porter, Michael J; Fielding, Helen H

    2016-04-21

    Understanding how the interactions between a chromophore and its surrounding protein control the function of a photoactive protein remains a challenge. Here, we present the results of photoelectron spectroscopy measurements and quantum chemistry calculations aimed at investigating how substitution at the coumaryl tail of the photoactive yellow protein chromophore controls competing relaxation pathways following photoexcitation of isolated chromophores in the gas phase with ultraviolet light in the range 350-315 nm. The photoelectron spectra are dominated by electrons resulting from direct detachment and fast detachment from the 2(1)ππ* state but also have a low electron kinetic energy component arising from autodetachment from lower lying electronically excited states or thermionic emission from the electronic ground state. We find that substituting the hydrogen atom of the carboxylic acid group with a methyl group lowers the threshold for electron detachment but has very little effect on the competition between the different relaxation pathways, whereas substituting with a thioester group raises the threshold for electron detachment and appears to 'turn off' the competing electron emission processes from lower lying electronically excited states. This has potential implications in terms of tuning the light-induced electron donor properties of photoactive yellow protein. PMID:27025529

  15. Chromophores from photolyzed ammonia reacting with acetylene: Application to Jupiter's Great Red Spot

    Science.gov (United States)

    Carlson, R. W.; Baines, K. H.; Anderson, M. S.; Filacchione, G.; Simon, A. A.

    2016-08-01

    The high altitude of Jupiter's Great Red Spot (GRS) may enhance the upward flux of gaseous ammonia (NH3) into the high troposphere, where NH3 molecules can be photodissociated and initiate a chain of chemical reactions with downwelling acetylene molecules (C2H2). These reactions, experimentally studied earlier by (Ferris and Ishikawa [1987] Nature 326, 777-778) and (Ferris and Ishikawa [1988] J. Amer. Chem. Soc. 110, 4306-4312), produce chromophores that absorb in the visible and ultraviolet regions. In this work we photolyzed mixtures of NH3 and C2H2 using ultraviolet radiation with a wavelength of 214 nm and measured the spectral transmission of the deposited films in the visible region (400-740 nm). From these transmission data we estimated the imaginary indices of refraction. Assuming that ammonia grains at the top of the GRS clouds are coated with this material, we performed layered sphere and radiative transfer calculations to predict GRS reflection spectra. Comparison of those results with observed and previously unreported Cassini visible spectra and with true-color images of the GRS show that the unknown GRS chromophore is spectrally consistent with the coupled NH3-C2H2 photochemical products produced in our laboratory experiments. Using high-resolution mass spectrometry and infrared spectroscopy we infer that the chromophore-containing residue is composed of aliphatic azine, azo, and diazo compounds.

  16. Enhanced photostability of the anthracene chromophore in aqueous medium upon protein encapsulation.

    Science.gov (United States)

    Alonso, Rafael; Yamaji, Minoru; Jiménez, M Consuelo; Miranda, Miguel A

    2010-09-01

    In the present work, 9-anthraceneacetic acid (1) has been selected as a simple, water-compatible derivative of the anthracene chromophore to investigate the photophysical and photochemical behavior upon binding to human and bovine serum albumins (HSA and BSA) and alpha-acid glycoproteins (HAAG and BAAG). The UV-vis absorption spectrum of 1 exhibited the typical four maxima between 320 and 400 nm, which were slightly red-shifted in the presence of proteins. These minor changes suggested the formation of 1@protein complexes; their stoichiometry (1:1) was determined by means of the corresponding Job plots. As expected, the fluorescence spectrum of 1 in phosphate-buffered saline (PBS) consisted of a structured emission with maxima between 390 and 470 nm. The addition of increasing amounts of HSA resulted in a decrease in the emission intensity. In the presence of BSA, HAAG, or BAAG, the same trend was observed, although the changes were less pronounced. The determination of binding constants was achieved from fluorescence titration, considering one (AAGs) or two (SAs) binding sites. The binding constants (K(B)) were found to be 2.3 x 10(6) M(-1) (HAAG), 2.4 x 10(6) M(-1) (BAAG), 4.57 x 10(4)/1.45 x 10(6) M(-1) (HSA), and 1.44 x 10(4)/1.20 x 10(6) M(-1) (BSA). Binding within two different sites of SAs was confirmed by displacement experiments using warfarin and ibuprofen as site I and site II probes, respectively. Laser flash photolysis of 1 at lambda(exc) = 355 nm in PBS/air gave rise to several transient species; by contrast, in the presence of 1 equiv of proteins, only the triplet excited state was detected. Moreover, the triplet lifetime (tau(T)) monitored at 420 nm lengthened considerably (up to 50-fold) in the protein media. This can be attributed to a slower deactivation of the species inside the protein binding pockets, where an exceptional microenvironment provides protection from attack by a second molecule of 1, oxygen, or other reagents. In agreement with

  17. Synthesis and properties of poly(1-phenyL~(-1)-octyne)s containing stereogenic and chromophoric pendant groups

    Institute of Scientific and Technical Information of China (English)

    LAM Jacky W. Y.; QIN AnJun; JIM Cathy K. W.; LU Ping; YUAN WangZhang; DONG YongQiang; DONG YuPing; KWOK Hoi Sing; TANG Ben Zhong

    2009-01-01

    Poly(1-phenyL~(-1)-octyne)s containing different stereogenic and chromophoric pendants {-[(C_6H_(13))C=C(C_6H_4-p-CO_2-R)]_n- R=[(1S)-endo]-(-)-borneyl (P3), (1R,2S,5R)-(-)-menthyl(P4), -C_6H_4-p-(1R,2S,5R)-(-)-menthyl (P5), 2-napthyl (P6), 4-biphenylyl (P7)} have been designed and synthesized. The polymers are prepared in moderate yields by WCl6-Ph4Sn and possess high molecular weights (M_w up to 64000). The structures and properties of the polymers are characterized and evaluated by NMR, TGA, UV, CD, PL, and EL analyses. All the polymers are thermally stable and their temperatures for 5% weight loss locate in the range of 300 to 416℃ under nitrogen. The energy band gaps of all the polymers are ~3.0 eV. Polymers P4 and P5 show CD absorptions associated with the helicity of the polymer segments. Excitation of the THF solutions of P3-P7 by UV irradiation gives strong blue lights of ~485 nm with quantum yields higher than 20%. The thin films of the polymers also emit in the same spectral region, indicative of little aggregation-caused quenching of light emission. Multilayer EL devices with a configuration of ITO/Polymer:PVK/BCP/Alq_3/LiF/Al are constructed, which emit blue lights of ~487 nm. The maximum luminance and external quantum efficiency vary with the pendant groups, with P6 exhibiting the highest external quantum efficiency of 0.16%. The spectra stability of the EL devices is outstanding and the EL peak maximum experiences little change with the applied voltage.

  18. Synthesis and properties of poly(1-phenyl-1-octyne)s containing stereogenic and chromophoric pendant groups

    Institute of Scientific and Technical Information of China (English)

    LAM; Jacky; W.Y.; JIM; Cathy; K.W.; KWOK; Hoi; Sing

    2009-01-01

    Poly(1-phenyl-1-octyne)s containing different stereogenic and chromophoric pendants {-[(C6H13)C=C(C6H4-p-CO2-R)]n-R=[(1S)-endo]-(-)-borneyl (P3), (1R,2S,5R)-(-)-menthyl (P4),―C6H4-p-(1R,2S,5R)-(-)-menthyl (P5), 2-napthyl (P6), 4-biphenylyl (P7)} have been designed and synthesized. The polymers are prepared in moderate yields by WCl6-Ph4Sn and possess high molecular weights (Mw up to 64000). The structures and properties of the polymers are characterized and evaluated by NMR, TGA, UV, CD, PL, and EL analyses. All the polymers are thermally stable and their temperatures for 5% weight loss locate in the range of 300 to 416℃ under nitrogen. The energy band gaps of all the polymers are ~3.0 eV. Polymers P4 and P5 show CD absorptions associated with the helicity of the polymer segments. Excitation of the THF solutions of P3―P7 by UV irradiation gives strong blue lights of ~485 nm with quantum yields higher than 20%. The thin films of the polymers also emit in the same spectral region, indicative of little aggregation-caused quenching of light emission. Multilayer EL devices with a configuration of ITO/Polymer:PVK/BCP/Alq3/LiF/Al are constructed, which emit blue lights of ~487 nm. The maximum luminance and external quantum efficiency vary with the pendant groups, with P6 exhibiting the highest external quantum efficiency of 0.16%. The spectra stability of the EL devices is outstanding and the EL peak maximum experiences little change with the applied voltage.

  19. Ultrafast excited-state excitation dynamics in a quasi-two-dimensional light-harvesting antenna based on ruthenium(II) and palladium(II) chromophores.

    Science.gov (United States)

    Dietzek, Benjamin; Kiefer, Wolfgang; Blumhoff, Jörg; Böttcher, Lars; Rau, Sven; Walther, Dirk; Uhlemann, Ute; Schmitt, Michael; Popp, Jürgen

    2006-06-23

    A detailed study on the excited-state-excitation migration taking place within the tetranuclear complex [{(tbbpy)(2)Ru(tmbi)}(2){Pd(allyl)}(2)](PF(6))(2) (tbbpy = 4,4'-di-tert-butyl-2,2'-bipyridine and tmbi = 5,6,5',6'-tetramethyl-2,2'-bibenzimidazolate) is presented. The charge transfer is initiated by the photoexcitation into the lowest metal-to-ligand charge-transfer (MLCT) band of one of the peripheral ruthenium(II) chromophores and terminates on the central structurally complex Pd(2) (II)(allyl)(2) subunit. Thus, the system under investigation can be thought of as a functional model for the photosynthesis reaction center in plants. The kinetic steps involved in the overall process are inferred from femtosecond time-resolved transient-grating kinetics recorded at spectral positions within the regions of ground-state bleach and transient absorption. The kinetics features a complex non-exponential time behavior and can be fitted to a bi-exponential rise (tau(1)> or =200 fs, tau(2) approximately 1.5 ps) and a mono- or bi-exponential decay, depending on the experimental situation. The data leads to the formulation of a model for the intramolecular excitation-hopping ascribing intersystem crossing and subsequent cooling as the two fastest observed processes. Following these initial steps, charge transfer from the ruthenium to the central complex Pd(2)(allyl)(2) moiety is observed with a characteristic time constant of 50 ps. A 220-ps component that is observed in the ground-state recovery only is attributed to excitation equilibration between the two identical Pd(allyl) chromophores. PMID:16628758

  20. Generalizing the correlated chromophore domain model of reversible photodegradation to include the effects of an applied electric field.

    Science.gov (United States)

    Anderson, Benjamin; Kuzyk, Mark G

    2014-03-01

    All observations of photodegradation and self-healing follow the predictions of the correlated chromophore domain model [Ramini et al., Polym. Chem. 4, 4948 (2013)]. In the present work, we generalize the domain model to describe the effects of an electric field by including induced dipole interactions between molecules in a domain by means of a self-consistent field approach. This electric field correction is added to the statistical mechanical model to calculate the distribution of domains that are central to healing. Also included in the model are the dynamics due to the formation of an irreversibly damaged species, which we propose involves damage to the polymer mediated through energy transfer from a dopant molecule after absorbing a photon. As in previous studies, the model with one-dimensional domains best explains all experimental data of the population as a function of time, temperature, intensity, concentration, and now applied electric field. Though the precise nature of a domain is yet to be determined, the fact that only one-dimensional domain models are consistent with observations suggests that they might be made of correlated dye molecules along polymer chains. Furthermore, the voltage-dependent measurements suggest that the largest polarizability axis of the molecules are oriented perpendicular to the chain. PMID:24730866

  1. Generalizing the correlated chromophore domain model of reversible photodegradation to include the effects of an applied electric field

    CERN Document Server

    Anderson, Benjamin

    2013-01-01

    All observations of photodegradation and self healing follow the predictions of the correlated chromophore domain model. [Ramini et.al. Polym. Chem., 2013, 4, 4948.] In the present work, we generalize the domain model to describe the effects of an electric field by including induced dipole interactions between molecules in a domain by means of a self-consistent field approach. This electric field correction is added to the statistical mechanical model to calculate the distribution of domains that are central to healing. Also included in the model are the dynamics due to the formation of an irreversibly damaged species. As in previous studies, the model with a one-dimensional domain best explains all experimental data of the population as a function of time, temperature, intensity, concentration, and now applied electric field. Though the nature of a domain is yet to be determined, the fact that only one-dimensional domain models are consistent with observations suggests that they might be made of correlated d...

  2. Satellite Retrieval of the Absorption Coefficient of Phytoplankton Phycoerythrin Pigment: Theory and Feasibility Status

    Science.gov (United States)

    Hoge, Frank E.; Wright, C. Wayne; Lyon, Paul E.; Swift, Robert N.; Yungel, James K.

    1999-12-01

    Oceanic radiance model inversion methods are used to develop a comprehensive algorithm for retrieval of the absorption coefficients of phycourobilin (PUB) pigment, type I phycoerythrobilin (PEB) pigment rich in PUB, and type II PEB deficient in PUB pigment (together with the usual big three inherent optical properties: the total backscattering coefficient and the absorption coefficients of chromophoric dissolved organic matter (CDOM) detritus and phytoplankton). This fully modeled inversion algorithm is then simplified to yield a hybrid modeled unmodeled inversion algorithm in which the phycoerythrin (PE) absorption coefficient is retrieved as unmodeled 488-nm absorption (which exceeds the modeled phytoplankton and the CDOM detritus absorption coefficients). Each algorithm was applied to water-leaving radiances, but only hybrid modeled unmodeled inversions yielded viable retrievals of the PE absorption coefficient. Validation of the PE absorption coefficient retrieval was achieved by relative comparison with airborne laser-induced PEB fluorescence. The modeled unmodeled retrieval of four inherent optical properties by direct matrix inversion is rapid and well conditioned, but the accuracy is strongly limited by the accuracy of the three principal inherent optical property models across all four spectral bands. Several research areas are identified to enhance the radiance-model-based retrievals: (a) improved PEB and PUB absorption coefficient models, (b) PE spectral shifts induced by PUB chromophore substitution at chromophore binding sites, (c) specific absorption-sensitive phytoplankton absorption modeling, (d) total constituent backscattering modeling, (e) unmodeled carotinoid and phycocyanin absorption that are not now accounted for in the chlorophyll-dominated phytoplankton absorption coefficient model, and (f) iterative inversion techniques to solve for six constituents with only five radiances. Although considerable progress has been made toward the satellite

  3. π-Conjugated Organometallic Isoindigo Oligomer and Polymer Chromophores: Singlet and Triplet Excited State Dynamics and Application in Polymer Solar Cells.

    Science.gov (United States)

    Goswami, Subhadip; Gish, Melissa K; Wang, Jiliang; Winkel, Russell W; Papanikolas, John M; Schanze, Kirk S

    2015-12-01

    An isoindigo based π-conjugated oligomer and polymer that contain cyclometalated platinum(II) "auxochrome" units were subjected to photophysical characterization, and application of the polymer in bulk heterojunction polymer solar cells with PCBM acceptor was examined. The objective of the study was to explore the effect of the heavy metal centers on the excited state properties, in particular, intersystem crossing to a triplet (exciton) state, and further how this would influence the performance of the organometallic polymer in solar cells. The materials were characterized by electrochemistry, ground state absorption, emission, and picosecond-nanosecond transient absorption spectroscopy. Electrochemical measurements indicate that the cyclometalated units have a significant impact on the HOMO energy level of the chromophores, but little effect on the LUMO, which is consistent with localization of the LUMO on the isoindigo acceptor unit. Picosecond-nanosecond transient absorption spectroscopy reveals a transient with ∼100 ns lifetime that is assigned to a triplet excited state that is produced by intersystem crossing from a singlet state on a time scale of ∼130 ps. This is the first time that a triplet state has been observed for isoindigo π-conjugated chromophores. The performance of the polymer in bulk heterojunction solar cells was explored with PC61BM as an acceptor. The performance of the cells was optimum at a relatively high PCBM loading (1:6, polymer:PCBM), but the overall efficiency was relatively low with power conversion efficiency (PCE) of 0.22%. Atomic force microscopy of blend films reveals that the length scale of the phase separation decreases with increasing PCBM content, suggesting a reason for the increase in PCE with acceptor loading. Energetic considerations show that the triplet state in the polymer is too low in energy to undergo charge separation with PCBM. Further, due to the relatively low LUMO energy of the polymer, charge transfer

  4. Non-degenerate two photon absorption enhancement for laser dyes by precise lock-in detection

    International Nuclear Information System (INIS)

    This study demonstrates a measurement system for a non-degenerate two-photon absorption (NDTPA) spectrum. The NDTPA light sources are a white light super continuum beam (WLSC, 500 ∼ 720 nm) and a fundamental beam (798 nm) from a Ti:Sapphire laser. A reliable broadband NDTPA spectrum is acquired in a single-shot detection procedure using a 128-channel lock-in amplifier. The NDTPA spectra for several common laser dyes are measured. Two photon absorption cross section enhancements are found in the experiment and validated by theoretical calculation for all of the chromophores

  5. Non-degenerate two photon absorption enhancement for laser dyes by precise lock-in detection

    Energy Technology Data Exchange (ETDEWEB)

    Xue, B. [Advanced Ultrafast Laser Research Center and Department of Engineering Science, Faculty of Informatics and Engineering, University of Electro-Communications, 1-5-1 Chofugaoka, Chofu, Tokyo, 182-8585 (Japan); Japan Science and Technology Agency, CREST, 5 Sanbancho, Chiyoda-ku, Tokyo, 102-0075 (Japan); Katan, C. [Institut des Sciences Chimiques de Rennes, UMR 6226 CNRS-Université Rennes 1, 35042 Rennes (France); Bjorgaard, J. A. [Center for Nonlinear Studies, Los Alamos National Laboratory, Los Alamos, NM (United States); Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM (United States); Kobayashi, T., E-mail: kobayashi@ils.uec.ac.jp [Advanced Ultrafast Laser Research Center and Department of Engineering Science, Faculty of Informatics and Engineering, University of Electro-Communications, 1-5-1 Chofugaoka, Chofu, Tokyo, 182-8585 (Japan); Japan Science and Technology Agency, CREST, 5 Sanbancho, Chiyoda-ku, Tokyo, 102-0075 (Japan); Department of Electrophysics, National Chiao-Tung University, Hsinchu, 30010, Taiwan (China); Institute of Laser Engineering, Osaka University, 2-6 Yamada-oka, Suita, Osaka, 565-0871 (Japan)

    2015-12-15

    This study demonstrates a measurement system for a non-degenerate two-photon absorption (NDTPA) spectrum. The NDTPA light sources are a white light super continuum beam (WLSC, 500 ∼ 720 nm) and a fundamental beam (798 nm) from a Ti:Sapphire laser. A reliable broadband NDTPA spectrum is acquired in a single-shot detection procedure using a 128-channel lock-in amplifier. The NDTPA spectra for several common laser dyes are measured. Two photon absorption cross section enhancements are found in the experiment and validated by theoretical calculation for all of the chromophores.

  6. Quantum Chemical Benchmark Studies of the Electronic Properties of the Green Fluorescent Protein Chromophore. 1. Electronically Excited and Ionized States of the Anionic Chromophore in the Gas Phase.

    Science.gov (United States)

    Epifanovsky, Evgeny; Polyakov, Igor; Grigorenko, Bella; Nemukhin, Alexander; Krylov, Anna I

    2009-07-14

    We present the results of quantum chemical calculations of the electronic properties of the anionic form of the green fluorescent protein chromophore in the gas phase. The vertical detachment energy of the chromophore is found to be 2.4-2.5 eV, which is below the strongly absorbing ππ* state at 2.6 eV. The vertical excitation of the lowest triplet state is around 1.9 eV, which is below the photodetachment continuum. Thus, the lowest bright singlet state is a resonance state embedded in the photodetachment continuum, whereas the lowest triplet state is a regular bound state. Based on our estimation of the vertical detachment energy, we attribute a minor feature in the action spectrum as due to the photodetachment transition. The benchmark results for the bright ππ* state demonstrated that the scaled opposite-spin method yields vertical excitation within 0.1 eV (20 nm) from the experimental maximum at 2.59 eV (479 nm). We also report estimations of the vertical excitation energy obtained with the equation-of-motion coupled cluster with the singles and doubles method, a multireference perturbation theory corrected approach MRMP2 as well as the time-dependent density functional theory with range-separated functionals. Expanding the basis set with diffuse functions lowers the ππ* vertical excitation energy by 0.1 eV at the same time revealing a continuum of "ionized" states, which embeds the bright ππ* transition. PMID:26610014

  7. Water dimer absorption of visible light

    OpenAIRE

    Hargrove, J

    2007-01-01

    International audience Laboratory measurements of water vapor absorption using cavity ring-down spectroscopy revealed a broad absorption at 405 nm with a quadratic dependence on water monomer concentration, a similar absorption with a linear component at 532 nm, and only linear absorption at 570 nm in the vicinity of water monomer peaks. D2O absorption is weaker and linear at 405 nm. Van't Hoff plots constructed at 405.26 nm suggest that for dimerization, Keq=0.056±0.02 atm?1, ?H°301 K=?16...

  8. Implementation of suitable flow injection/sequential-sample separation/preconcentration schemes for determination of trace metal concentrations using detection by electrothermal atomic absorption spectrometry and inductively coupled plasma mass spectrometry

    DEFF Research Database (Denmark)

    Hansen, Elo Harald; Wang, Jianhua

    Various preconditioning procedures encomprising appropriate separation/preconcentration schemes in order to obtain optimal sensitivity and selectivity characteristics when using electrothermal atomic absorption spectrometry (ETAAS) and inductively coupled plasma mass spectrometry (ICPMS) are...

  9. Implementation of suitable flow injection/sequential-sample separation/preconcentration schemes for determination of trace metal concentrations using detection by electrothermal atomic absorption spectrometry and inductively coupled plasma mass spectrometry

    DEFF Research Database (Denmark)

    Hansen, Elo Harald; Wang, Jianhua

    2002-01-01

    Various preconditioning procedures encomprising appropriate separation/preconcentration schemes in order to obtain optimal sensitivity and selectivity characteristics when using electrothermal atomic absorption spectrometry (ETAAS) and inductively coupled plasma mass spectrometry (ICPMS) are...

  10. Gastrointestinal citrate absorption in nephrolithiasis

    Science.gov (United States)

    Fegan, J.; Khan, R.; Poindexter, J.; Pak, C. Y.

    1992-01-01

    Gastrointestinal absorption of citrate was measured in stone patients with idiopathic hypocitraturia to determine if citrate malabsorption could account for low urinary citrate. Citrate absorption was measured directly from recovery of orally administered potassium citrate (40 mEq.) in the intestinal lavage fluid, using an intestinal washout technique. In 7 stone patients citrate absorption, serum citrate levels, peak citrate concentration in serum and area under the curve were not significantly different from those of 7 normal subjects. Citrate absorption was rapid and efficient in both groups, with 96 to 98% absorbed within 3 hours. The absorption of citrate was less efficient from a tablet preparation of potassium citrate than from a liquid preparation, probably due to a delayed release of citrate from wax matrix. However, citrate absorption from solid potassium citrate was still high at 91%, compared to 98% for a liquid preparation. Thus, hypocitraturia is unlikely to be due to an impaired gastrointestinal absorption of citrate in stone patients without overt bowel disease.

  11. 不同盐度胁迫对芦荟生长和离子吸收分配的影响%Effects of Salt Concentration on Growth, Ion Absorption and Distribution of Aloe vera L.

    Institute of Scientific and Technical Information of China (English)

    马艳萍

    2012-01-01

    为探索芦荟对微咸水灌溉栽培的适应性,研究不同盐浓度对其生长和离子吸收分配的影响.结果表明,长期(120天)以含盐溶液灌溉栽培,盐浓度达200 mmol/L NaCl显著抑制芦荟生长,100 mmol/LNaCl对芦荟生长的抑制作用显著减轻,50 mmol/L NaCl不抑制芦荟生长.同时,以50 mmol/L NaCl溶液灌溉对芦荟盐分离子吸收分配影响轻微,但盐浓度达100 mmol/LNaCl对芦荟影响显著:根、茎、叶中K+含量显著下降,Na+、Cl-含量显著增大,K+/Na+大幅减小.X-射线能谱分析结果进一步表明,叶片贮水组织是芦荟积累盐分离子的重要部位,但100 mmol/L NaCl胁迫下芦荟根尖和叶片细胞中的离子平衡受到显著干扰.结果说明,芦荟适于用微咸水灌溉栽培,叶片贮水组织在缓解其盐胁迫中可起重要作用.%To explore the adaptability of irrigating aloe with weakly brine water, the effects of different concentration salinity stresses on growth, ion absorption and distribution of aloe plants were investigated.Experimental results showed that irrigation with 200 mmol/L NaCl for 120 d significantly retarded aloe growth, but the negative effects of irrigating aloe with 100 mmol/L NaCl on aloe growth were significantly relieved, even irrigating with 50 mmol/L NaCl did not retard aloe growth.The effects of irrigating with 50 mmol/L NaCl on ion absorption, transportation and distribution of aloe plants were not significant, but irrigating with 100 mmol/L NaCl were significant: K + contents of root, stem and leaf significantly decreased, Na + and Cl- content significantly increased, K+Na+ ratio significantly decreased.X-ray microanalysis results further showed that leaf aqueous was a main part of accumulating salt ion but ion homeostasis in root and leaf cells of aloe plants were significantly interrupted under 100 mmol/L NaCl stress.The experiment results suggested that Aloe vera L.was suitable to be irrigated with weakly brine water, and leaf

  12. Twisted Thiophene-Based Chromophores with Enhanced Intramolecular Charge Transfer for Cooperative Amplification of Third-Order Optical Nonlinearity.

    Science.gov (United States)

    Teran, Natasha B; He, Guang S; Baev, Alexander; Shi, Yanrong; Swihart, Mark T; Prasad, Paras N; Marks, Tobin J; Reynolds, John R

    2016-06-01

    Exploiting synergistic cooperation between multiple sources of optical nonlinearity, we report the design, synthesis, and nonlinear optical properties of a series of electron-rich thiophene-containing donor-acceptor chromophores with condensed π-systems and sterically regulated inter-aryl twist angles. These structures couple two key mechanisms underlying optical nonlinearity, namely, (i) intramolecular charge transfer, greatly enhanced by increased electron density and reduced aromaticity at chromophore thiophene rings and (ii) a twisted chromophore geometry, producing a manifold of close-lying excited states and dipole moment changes between ground and excited states that are nearly twice that of untwisted systems. Spectroscopic, electrochemical, and nonlinear Z-scan measurements, combined with quantum chemical calculations, illuminate relationships between molecular structure and mechanisms of enhancement of the nonlinear refractive index. Experiment and calculations together reveal ground-state structures that are strongly responsive to the solvent polarity, leading to substantial negative solvatochromism (Δλ ≈ 10(2) nm) and prevailing zwitterionic/aromatic structures in the solid state and in polar solvents. Ground-to-excited-state energy gaps below 2.0 eV are obtained in condensed π-systems, with lower energy gaps for twisted versus untwisted systems. The real part of the second hyperpolarizability in the twisted structures is much greater than the imaginary part, with the highest twist angle chromophore giving |Re(γ)/Im(γ)| ≈ 100, making such chromophores very promising for all-optical-switching applications. PMID:27232098

  13. NIR bacteriochlorin chromophores accessed by Heck and Sonogashira cross-coupling reactions on a tetrabromobacteriochlorin derivative.

    Science.gov (United States)

    de Assis, Francisco F; Ferreira, Marco A B; Brocksom, Timothy J; de Oliveira, Kleber T

    2016-01-28

    The synthesis of a new tetrabromobacteriochlorin BCBr4 is reported having the 3,4-dibromo-1H-pyrrole-2-carbaldehyde (10) as the major precursor. The BCBr4 was successfully employed in Pd cross-coupling reactions with methyl acrylate, phenyl acetylene and 4-ethynylanisole. In all three cases, the desired tetra-coupled products were obtained in good to excellent yields, and present a significant red shift in the UV-Vis bands above 800 nm. DFT and TD-DFT theoretical analyses of the NIR bacteriochlorin chromophores were performed in order to evaluate the effect of β substitution on their electronic structures. PMID:26676846

  14. Construction of Multi-Chromophoric Spectra from Monomer Data: Applications to Resonant Energy Transfer

    CERN Document Server

    Chenu, Aurélia

    2016-01-01

    We develop a model that establishes a quantitative link between the physical properties of molecular aggregates and their constituent building blocks. The relation is built on the coherent potential approximation, calibrated against exact results, and proven reliable for a wide range of parameters. It provides a practical method to compute spectra and transfer rates in multi-chromophoric systems from experimentally accessible monomer data. Applications to F\\"orster energy transfer reveal optimal transfer rates as functions of both the system-bath coupling and intra-aggregate coherence.

  15. Measurement of Liquid Concentration Fields Near Interface with Cocurrent Gas-Liquid Flow Absorption Using Holographic Interferometry%气液并流吸收过程中液相近界面浓度分布的全息干涉测量

    Institute of Scientific and Technical Information of China (English)

    郭莹; 袁希钢; 曾爱武; 余国琮

    2006-01-01

    Real-time laser holographic interferometry was applied to measure liquid concentrations of CO2 in the vicinity of gas-liquid free interface under the conditions of cocurrent gas-liquid flow for absorption of CO2 by ethanol. The influences of the Reynolds number on the measurable interface concentration and on the film thickness were discussed. The results show that CO2 concentration decreases exponentially along the mass transfer direction,and the concentration gradient increases as Reynolds number of either liquid or gas increases. CO2 concentrations fluctuate slightly along the direction of flow; on the whole, there is an increase in CO2 concentration. The investigation also demonstrated that film thickness decreases with the increase of Reynolds number of either of the two phases. Sherwood number representing the mass transfer coefficient was finally correlated as a function of the hydrodynamic parameters and the physical properties.

  16. Tuning the Protein-Induced Absorption Shifts of Retinal in Engineered Rhodopsin Mimics.

    Science.gov (United States)

    Suomivuori, Carl-Mikael; Lang, Lucas; Sundholm, Dage; Gamiz-Hernandez, Ana P; Kaila, Ville R I

    2016-06-01

    Rational design of light-capturing properties requires understanding the molecular and electronic structure of chromophores in their native chemical or biological environment. We employ here large-scale quantum chemical calculations to study the light-capturing properties of retinal in recently designed human cellular retinol binding protein II (hCRBPII) variants (Wang et al. Science, 2012, 338, 1340-1343). Our calculations show that these proteins absorb across a large part of the visible spectrum by combined polarization and electrostatic effects. These effects stabilize the ground or excited state energy levels of the retinal by perturbing the Schiff-base or β-ionone moieties of the chromophore, which in turn modulates the amount of charge transfer within the molecule. Based on the predicted tuning principles, we design putative in silico mutations that further shift the absorption properties of retinal in hCRBPII towards the ultraviolet and infrared regions of the spectrum. PMID:27120137

  17. Kinetic modeling of Fluorine vacancy/F center creation in LiF:Mg,Ti including vacancy-interstitial recombination: Evaluating the factors leading to the lack of supralinearity in the optical absorption F center concentration dose response

    International Nuclear Information System (INIS)

    Kinetic model simulations of charge carrier transport following irradiation of LiF:Mg,Ti (TLD-100) including Fluorine vacancy/F center creation by the radiation and dose-dependent vacancy-interstitial recombination are presented which describe the experimentally measured linear/exponentially saturating optical absorption dose response of the electron trapping centers at 4.0 eV, 4.77 eV, 5.08 eV (F band) and 5.45 eV. Linear/exponentially saturating dose response is commonly observed for centers which are not created by the radiation. The creation of Fluorine vacancies by the radiation could therefore be expected to lead to a supralinear dose response of the F center before the onset of saturation. Nonetheless, the dose response is linear from 10 Gy to 500 Gy and can be fitted with a dose-filling constant β = 6.1 · 10−5 Gy−1 corresponding to a 5% and 25% decrease from linearity at 103 Gy and 5 · 103 Gy respectively. The model attempts to resolve a central question concerning the mechanisms leading to the linear/exponentially saturating dose response of the F band even though Fluorine vacancies are being continuously created during the irradiation. The electron-trapping characteristics of the created vacancies are assumed to differ somewhat from the vacancies originally present in un-irradiated samples due to differences in their immediate environment. Vacancy-interstitial recombination for separation distances less than a critical distance, dc is demonstrated to be significant for D > 500 Gy (dc = 36 Å) and is an important mechanism contributing to the F center saturation at high dose-levels. The kinetic model accurately simulates the experimentally observed F center dose response over the entire investigated dose range of 10–105 Gy under the following conditions: (i) The concentration of vacancies initially present is unexpectedly high at ∼1023 m−3, possibly due to the highly doped, non-crystalline and hot-pressed nature of the LiF:Mg,Ti samples. (ii

  18. Kinetics of gastro-intestinal absorption

    International Nuclear Information System (INIS)

    Knowledge of the kinetics of gastrointestinal absorption is required for reliable dose estimates for ingested radionuclides. A method is described by which absorption rates as a function of time as well as the total fraction absorbed (f1 value) can be determined by analysis of tracer concentrations in blood after oral and intravenous administration. The method was applied to study the absorption dynamics of Ca, Fe, and Mo in humans and is adapted to Ru, Zr, Sr and lanthanides. Radioactive or stable isotopes of the respective elements were used as tracers. The absorption kinetics and the total fractional absorption differ considerably for different elements. For a particular element, the absorption rates as well as the f1 values vary considerably with respect to the chemical form and the amount administered. Absorption patterns are characteristically different for uptake from solutions or from whole meals. This information may be used to improve the dosimetric model for the gastrointestinal tract. (author)

  19. Active and silent chromophore isoforms for phytochrome Pr photoisomerization: An alternative evolutionary strategy to optimize photoreaction quantum yields

    Directory of Open Access Journals (Sweden)

    Yang Yang

    2014-01-01

    Full Text Available Photoisomerization of a protein bound chromophore is the basis of light sensing of many photoreceptors. We tracked Z-to-E photoisomerization of Cph1 phytochrome chromophore PCB in the Pr form in real-time. Two different phycocyanobilin (PCB ground state geometries with different ring D orientations have been identified. The pre-twisted and hydrogen bonded PCBa geometry exhibits a time constant of 30 ps and a quantum yield of photoproduct formation of 29%, about six times slower and ten times higher than that for the non-hydrogen bonded PCBb geometry. This new mechanism of pre-twisting the chromophore by protein-cofactor interaction optimizes yields of slow photoreactions and provides a scaffold for photoreceptor engineering.

  20. Ion-Induced Dipole Interactions and Fragmentation Times : C$\\alpha$ -C$\\beta$ Chromophore Bond Dissociation Channel

    CERN Document Server

    Soorkia, Satchin; Kumar, Sunil; Pérot-Taillandier, Marie; Lucas, Bruno; Jouvet, Christophe; Barat, Michel; Fayeton, Jacqueline A

    2015-01-01

    The fragmentation times corresponding to the loss of the chromophore (C$\\alpha$-- C$\\beta$ bond dissociation channel) after photoexcitation at 263 nm have been investigated for several small peptides containing tryptophan or tyrosine. For tryptophan-containing peptides, the aromatic chromophore is lost as an ionic fragment (m/z 130), and the fragmentation time increases with the mass of the neutral fragment. In contrast, for tyrosine-containing peptides the aromatic chromophore is always lost as a neutral fragment (mass = 107 amu) and the fragmentation time is found to be fast (\\textless{}20 ns). These different behaviors are explained by the role of the postfragmentation interaction in the complex formed after the C$\\alpha$--C$\\beta$ bond cleavage.

  1. Simple and Accurate Computations of Solvatochromic Shifts in pi -> pi* Transitions of Aromatic Chromophors

    CERN Document Server

    Heinz, H; Leontidis, E; Heinz, Hendrik; Suter, Ulrich W.; Leontidis, Epameinondas

    2001-01-01

    A new approach is introduced for calculating the spectral shifts of the most bathochromic pi -> pi* transition of an aromatic chromophore in apolar environments. As an example, perylene in solid and liquid n-alkane matrices was chosen, and all shifts are calculated relative to one well-defined solid-inclusion system. It is shown that a simple two-level treatment of the solute using Huckel theory yields spectral shifts in excellent agreement with experimental results for the most prominent inclusion sites of perylene in solid n-alkane surroundings and for the dilute solutions in liquid n-alkanes. The idea is general enough to be applied to any aromatic chromophore in a nonpolar solvent matrix. In contrast to earlier treatments, this approach is based on geometry-dependent polarizabilities, employs a r^-4 dependence for the dispersion energy, is conceptually simple and computationally efficient. Different simple models based on our general approach to compute the UV spectral shifts due to solvation indicate tha...

  2. Reactive chromophores for sensitive and selective detection of chemical warfare agents

    Science.gov (United States)

    Frye-Mason, Greg; Leuschen, Martin; la Grone, Marcus; Wald, Lara; Aker, Craig; Dock, Matt; Hancock, Lawrence F.; Fagan, Steve; Paul, Kateri

    2004-08-01

    A new sensor for highly toxic species including chemical warfare (CW) agents has been developed. This sensor is based on a unique CW indicating chromophore (CWIC) developed by Professor Tim Swager at MIT. The CWIC was designed to be sensitive to the reactivity that makes these chemicals so toxic. Since it requires the reactivity of the agent to be detected, the CWIC technology has shown remarkable selectivity for nerve agent surrogates and some other highly toxic species, thereby demonstrating the potential to provide low false alarm rate detection. Since the chromophore has mini-mal fluorescence prior to reaction with an electrophilic and toxic chemical, the sensor acts in a dark field fluorescence mode. This provides the sensor with exceptional sensitivity and a potential to detect priority analytes well below levels detected by current hand held sensors. Finally, it is based on a simple optical detection scheme that enables small and rugged sensors to be developed and produced at a low enough cost so they can be widely utilized.

  3. The mechanism of dehydration in chromophore maturation of wild-type green fluorescent protein: A theoretical study

    Science.gov (United States)

    Ma, Yingying; Yu, Jian-Guo; Sun, Qiao; Li, Zhen; Smith, Sean C.

    2015-07-01

    An interesting aspect of the green fluorescent protein (GFP) is its autocatalytic chromophore maturation. Numerous experimental studies have indicated that dehydration is the last step in the chromophore maturation process of wild-type GFP. Based on the crystal structure of wild-type GFP, the mechanism of the reverse reaction of dehydration was investigated by using density functional theory (DFT) in this study. Our results proposed that the dehydration is exothermic. Moreover, the rate-limiting step of the mechanism is the proton on guanidinium of Arg96 transferring to the β-carbon anion of Tyr66, which is consistent with the experimental observation.

  4. Climate-driven terrestrial inputs in ultraoligotrophic mountain streams of Andean Patagonia revealed through chromophoric and fluorescent dissolved organic matter.

    Science.gov (United States)

    Garcia, Roberto D; Reissig, Mariana; Queimaliños, Claudia P; Garcia, Patricia E; Dieguez, Maria C

    2015-07-15

    Fluvial networks transport a substantial fraction of the terrestrial production, contributing to the global carbon cycle and being shaped by hydrologic, natural and anthropogenic factors. In this investigation, four Andean Patagonian oligotrophic streams connecting a forested catchment (~125km(2)) and draining to a double-basin large and deep lake (Lake Moreno complex, Northwestern Patagonia), were surveyed to analyze the dynamics of the allochthonous subsidy. The results of a 30month survey showed that the catchment supplies nutrients and dissolved organic matter (DOM) to the streams. The eruption of the Puyehue-Cordón Caulle at the beginning of the study overlapped with seasonal precipitation events. The largest terrestrial input was timed with precipitation which increased particulate materials, nutrients and DOM through enhanced runoff. Baseline suspended solids and nutrients were very low in all the streams (suspended solids: ~1mg/L; total nitrogen: ~0.02mg/L; total phosphorus: ~5μg/L), increasing several fold with runoff. Baseline dissolved organic carbon concentrations (DOC) ranged between 0.15 and 1mg/L peaking up to three-fold. Chromophoric and fluorescent analyses characterized the DOM as of large molecular weight and high aromaticity. Parallel factor modeling (PARAFAC) of DOM fluorescence matrices revealed three components of terrestrial origin, with certain degree of microbial processing: C1 and C2 (terrestrial humic-like compounds) and C3 (protein-like and pigment derived compounds). Seasonal changes in MOD quality represent different breakdown stages of the allochthonous DOM. Our survey allowed us to record and discuss the effects of the Puyehue-Cordón Caulle eruption, showing that due to the high slopes, high current and discharge of the streams the volcanic material was rapidly exported to the Moreno Lake complex. Overall, this survey underscores the magnitude and timing of the allochthonous input revealing the terrestrial subsidy to food webs in

  5. Highly selective micro-sequential injection lab-on-valve (μSI-LOV) method for determination of ultra trace concentrations of nickel in saline matrices using detection by electrothermal atomic absorption spectrometr

    DEFF Research Database (Denmark)

    Long, Xiangbao; Miró, Manuel; Jensen, Rikard;

    2006-01-01

    electrothermal atomic absorption spectrometry (ETAAS). Based on the dimethylglyoxime (DMG) gravimetric procedure used for nickel analysis, the sample, as contained in pH 9.0 buffer, is, after on-line merging with the chelating reagent, transported to a reaction coil attached to one of the external ports of the...

  6. Structure of the red fluorescent protein from a lancelet (Branchiostoma lanceolatum): a novel GYG chromophore covalently bound to a nearby tyrosine

    OpenAIRE

    Pletnev, Vladimir Z.; Pletneva, Nadya V.; Lukyanov, Konstantin A.; Souslova, Ekaterina A.; Fradkov, Arkady F.; Chudakov, Dmitry M.; Chepurnykh, Tatyana; Yampolsky, Ilia V.; Wlodawer, Alexander; Dauter, Zbigniew; Pletnev, Sergei

    2013-01-01

    The crystal structure of the novel red emitting fluorescent protein from lancelet Branchiostoma lanceolatum (Chordata) revealed an unusual five residues cyclic unit comprising Gly58-Tyr59-Gly60 chromophore, the following Phe61 and Tyr62 covalently bound to chromophore Tyr59.

  7. Time-dependent oral absorption models

    Science.gov (United States)

    Higaki, K.; Yamashita, S.; Amidon, G. L.

    2001-01-01

    The plasma concentration-time profiles following oral administration of drugs are often irregular and cannot be interpreted easily with conventional models based on first- or zero-order absorption kinetics and lag time. Six new models were developed using a time-dependent absorption rate coefficient, ka(t), wherein the time dependency was varied to account for the dynamic processes such as changes in fluid absorption or secretion, in absorption surface area, and in motility with time, in the gastrointestinal tract. In the present study, the plasma concentration profiles of propranolol obtained in human subjects following oral dosing were analyzed using the newly derived models based on mass balance and compared with the conventional models. Nonlinear regression analysis indicated that the conventional compartment model including lag time (CLAG model) could not predict the rapid initial increase in plasma concentration after dosing and the predicted Cmax values were much lower than that observed. On the other hand, all models with the time-dependent absorption rate coefficient, ka(t), were superior to the CLAG model in predicting plasma concentration profiles. Based on Akaike's Information Criterion (AIC), the fluid absorption model without lag time (FA model) exhibited the best overall fit to the data. The two-phase model including lag time, TPLAG model was also found to be a good model judging from the values of sum of squares. This model also described the irregular profiles of plasma concentration with time and frequently predicted Cmax values satisfactorily. A comparison of the absorption rate profiles also suggested that the TPLAG model is better at prediction of irregular absorption kinetics than the FA model. In conclusion, the incorporation of a time-dependent absorption rate coefficient ka(t) allows the prediction of nonlinear absorption characteristics in a more reliable manner.

  8. Absorption of volatile ruthenium

    International Nuclear Information System (INIS)

    Phase equilibrium and mass transfer measurements for the absorption of ruthenium tetroxide (RuO4) in aqueous and nitric acid solutions have been completed. Low concentration phase equilibrium measurements confirm that the system obeys Henry's law across 4 orders of magnitude in concentration. Mass transfer measurements from turbulent gas flow indicate that the diffusivity of RuO4 in air may increase slightly as its concentration is reduced by 5-6 orders of magnitude. The reaction of RuO4 with nitrous acid and nitrites in solution results in precipitated or colloidal RuO2. Initial, immediate decomposition of ∼ 50% of the RuO4 occurs at RuO4: HNO2 mole ratios between 10:1 and 1:2, and does not vary systematically with mole ratio in this range. A mathematical model of the RuO4 decontamination performance of a packed bed scrubber has been developed, and validated experimentally with a laboratory QVF system. A survey of modelling approaches for predicting the ruthenium decontamination performance of off-gas condensers has been carried out. (author)

  9. Transdermic absorption of Melagenina II

    International Nuclear Information System (INIS)

    The transdermic absorption of Melagenina II (MII) was evaluated. MII was a labelled with 125I by the yodogen method and purified by column chromatography with Sephadex LH-20 in ethanol: water (7:3). In vitro absorption of (125I) - MII thought human skin was carried out in Keshary-Chien modified diffusion cells. Tape stripping method was applied after 24 hours to evaluate the accumulated activity in dermis and epidermis. In vivo assays were performed in Sprague Dawley rats to analyze absorption of MII until 24 hours after a single application and for five days a low penetrability of the drug while in vivo there were not found blood levels significantly greater than zero , nevertheless and important amount of radioactivity was found in feces and urine. The activity was concentrated mainly in the application site in both models

  10. Optical absorption and scattering properties of bulk porcine muscle phantoms from interstitial radiance measurements in 650–900 nm range

    International Nuclear Information System (INIS)

    We demonstrated the application of relative radiance-based continuous wave (cw) measurements for recovering absorption and scattering properties (the effective attenuation coefficient, the diffusion coefficient, the absorption coefficient and the reduced scattering coefficient) of bulk porcine muscle phantoms in the 650–900 nm spectral range. Both the side-firing fiber (the detector) and the fiber with a spherical diffuser at the end (the source) were inserted interstitially at predetermined locations in the phantom. The porcine phantoms were prostate-shaped with ∼4 cm in diameter and ∼3 cm thickness and made from porcine loin or tenderloin muscles. The described method was previously validated using the diffusion approximation on simulated and experimental radiance data obtained for homogenous Intralipid-1% liquid phantom. The approach required performing measurements in two locations in the tissue with different distances to the source. Measurements were performed on 21 porcine phantoms. Spectral dependences of the effective attenuation and absorption coefficients for the loin phantom deviated from corresponding dependences for the tenderloin phantom for wavelengths <750 nm. The diffusion constant and the reduced scattering coefficient were very close for both phantom types. To quantify chromophore presence, the plot for the absorption coefficient was matched with a synthetic absorption spectrum constructed from deoxyhemoglobin, oxyhemoglobin and water. The closest match for the porcine loin spectrum was obtained with the following concentrations: 15.5 µM (±30% s.d.) Hb, 21 µM (±30% s.d.) HbO2 and 0.3 (±30% s.d.) fractional volume of water. The tenderloin absorption spectrum was best described by 30 µM Hb (±30% s.d), 19 µM (±30% s.d.) HbO2 and 0.3 (±30% s.d.) fractional volume of water. The higher concentration of Hb in tenderloin was consistent with a dark-red appearance of the tenderloin phantom. The method can be applied to a number

  11. A role for molecular compression in the post-translational formation of the Green Fluorescent Protein chromophore

    International Nuclear Information System (INIS)

    Graphical abstract: Using molecular dynamics simulations, we estimate the contribution of the Green Fluorescent Protein beta-barrel in promoting backbone cyclization, i.e. a crucial step in chromophore formation. - Abstract: Spontaneous chromophore formation is probably the key feature for the remarkable success of GFPs (Green Fluorescent Proteins) and related proteins in fluorescence microscopy. Though a quantitative analysis of the involved energetics still remains elusive, substantial progress has been made in identifying the steps of chromophore biosynthesis and the contribution of individual residues and surrounding protein matrix. The latter clearly enforces a peculiar configuration of the pre-cyclized chromophore-forming tripeptide. However, it is debated whether a mechanical compression is also at play in triggering backbone cyclization. Here, by molecular dynamics and potential of mean force calculations, we estimate the contribution of the protein scaffold in promoting the proximity of reacting atoms- and hence backbone cyclization - by a sort of compression mechanism. Comparing several mutants we highlight the role of some surrounding residues. Finally, we analyze the case of HAL (Histidine Ammonia-Lyase) active site, which undergoes an analogous cyclization reaction.

  12. Chromophoric dissolved organic matter of black waters in a highly eutrophic Chinese lake: Freshly produced from algal scums?

    Science.gov (United States)

    Zhou, Yongqiang; Jeppesen, Erik; Zhang, Yunlin; Niu, Cheng; Shi, Kun; Liu, Xiaohan; Zhu, Guangwei; Qin, Boqiang

    2015-12-15

    Field campaigns and an incubation experiment were conducted to evaluate the sources of chromophoric dissolved organic matter (CDOM) in black water spots in highly polluted regions of the Chinese Lake Taihu. A significant positive correlation (pblack water samples than in the regular samples (pblack water samples was significantly higher than in the regular water samples (pblack water spots. PMID:26125526

  13. Bimetallic lanthanide complexes that display a ratiometric response to oxygen concentrations

    OpenAIRE

    Sørensen, TJ; Kenwright, AM; Faulkner, S.

    2015-01-01

    A pair of hetero-bimetallic lanthanide complexes containing terbium and europium ions have been prepared by coupling kinetically stable complexes together using an Ugi methodology to incorporate a naphthyl chromophore. Both complexes exhibit emission from terbium and europium in solution. The terbium centred emission varies with dissolved oxygen concentration, while the europium intensity remains essentially constant in one of the complexes.

  14. Subunit composition and chromophore content of R-phycoerythrin from Porphyra haitanensis

    Science.gov (United States)

    Gao, Hong-Feng; Ji, Ming-Hou; Cao, Wen-Da

    1996-03-01

    R-phycoerythrin from Porphyra haitanensis exists in two aggregation states with different molecular weights. A more highly aggregated form, RPE I, was chromatographed on Bio-Rex 70 column with urea solution (pH 3.0) as eluent, and the molecular weights of the 3 subunits (α, β, γ) obtained were determined on SDS-PAGE at 18000, 19200 and 30000, respectively. α subunit carried two phycoerythrobilin (PEB); β subunit, three PEB and one phycourobilin (PUB); γ subunit, one PEB and three PUB chromophores. The molar ratio of α, β, and γ subunits of RPE I was 6: 6: 1, and their subunit composition was confired to be (αβ)6γ on account of the molecular weight of RPE I, 232000. A lower aggregated form, RPE II, contained α and β subunits similar to those of RPE I, but its subunit composition was the (αβ) monomer of RPE.

  15. PHOTOCHROMISM AND LUMINESCENCE OF DOPANT CHROMOPHORES THROUGH TWO-PHOTON IONIZATION IN POLYMER FILMS

    Institute of Scientific and Technical Information of China (English)

    Masahide Yamamoto; Hideo Ohkita; Shinzaburo Ito

    2001-01-01

    Two-photon ionization and recombination processes of an aromatic chromophore doped in polymer films were studied and the features of these processes were discussed in relation to photofunctional polymers. An aromatic molecule having low ionization potential, e.g., N,N,N',N'-tetramethyl-p-phenylene diamine doped in poly(methyl methacrylate)(PMMA) film was easily photoionized by intense laser light excitation, giving a colored radical cation (photochromism) and a trapped electron in PMMA matrix. As a reversed process, the radical cation recombined with the trapped electron, showing discoloration and emitting luminescence, either isothermal luminescence (ITL), or thermoluminescence (TL). In this report,ITL and TL through the charge recombination process were studied and the luminescence was suggested as a mean of the read-out of photorecording.

  16. Quantifying charge resonance and multiexciton character in coupled chromophores by charge and spin cumulant analysis

    International Nuclear Information System (INIS)

    We extend excited-state structural analysis to quantify the charge-resonance and multi-exciton character in wave functions of weakly interacting chromophores such as molecular dimers. The approach employs charge and spin cumulants which describe inter-fragment electronic correlations in molecular complexes. We introduce indexes corresponding to the weights of local, charge resonance, and biexciton (with different spin structure) configurations that can be computed for general wave functions thus allowing one to quantify the character of doubly excited states. The utility of the approach is illustrated by applications to several small dimers, e.g., He-H2, (H2)2, and (C2H4)2, using full and restricted configuration interaction schemes. In addition, we present calculations for several systems relevant to singlet fission, such as tetracene, 1,6-diphenyl-1,3,5-hexatriene, and 1,3-diphenylisobenzofuran dimers

  17. Quantifying charge resonance and multiexciton character in coupled chromophores by charge and spin cumulant analysis

    Energy Technology Data Exchange (ETDEWEB)

    Luzanov, Anatoliy V. [STC “Institute for Single Crystals,” National Academy of Sciences, Kharkov 61001 (Ukraine); Casanova, David [Kimika Fakultatea, Euskal Herriko Unibertsitatea (UPV/EHU) and Donostia International Physics Center (DIPC), P.K. 1072, 20080 Donostia (Spain); IKERBASQUE, Basque Foundation for Science, 48013 Bilbao, Euskadi (Spain); Feng, Xintian; Krylov, Anna I. [Department of Chemistry, University of Southern California, Los Angeles, California 90089-0482 (United States)

    2015-06-14

    We extend excited-state structural analysis to quantify the charge-resonance and multi-exciton character in wave functions of weakly interacting chromophores such as molecular dimers. The approach employs charge and spin cumulants which describe inter-fragment electronic correlations in molecular complexes. We introduce indexes corresponding to the weights of local, charge resonance, and biexciton (with different spin structure) configurations that can be computed for general wave functions thus allowing one to quantify the character of doubly excited states. The utility of the approach is illustrated by applications to several small dimers, e.g., He-H{sub 2}, (H{sub 2}){sub 2}, and (C{sub 2}H{sub 4}){sub 2}, using full and restricted configuration interaction schemes. In addition, we present calculations for several systems relevant to singlet fission, such as tetracene, 1,6-diphenyl-1,3,5-hexatriene, and 1,3-diphenylisobenzofuran dimers.

  18. Quantifying charge resonance and multiexciton character in coupled chromophores by charge and spin cumulant analysis.

    Science.gov (United States)

    Luzanov, Anatoliy V; Casanova, David; Feng, Xintian; Krylov, Anna I

    2015-06-14

    We extend excited-state structural analysis to quantify the charge-resonance and multi-exciton character in wave functions of weakly interacting chromophores such as molecular dimers. The approach employs charge and spin cumulants which describe inter-fragment electronic correlations in molecular complexes. We introduce indexes corresponding to the weights of local, charge resonance, and biexciton (with different spin structure) configurations that can be computed for general wave functions thus allowing one to quantify the character of doubly excited states. The utility of the approach is illustrated by applications to several small dimers, e.g., He-H2, (H2)2, and (C2H4)2, using full and restricted configuration interaction schemes. In addition, we present calculations for several systems relevant to singlet fission, such as tetracene, 1,6-diphenyl-1,3,5-hexatriene, and 1,3-diphenylisobenzofuran dimers. PMID:26071698

  19. Synthesis, Characterization, Absorbance, Fluorescence and Non Linear Optical Properties of Some Donor Acceptor Chromophores

    Energy Technology Data Exchange (ETDEWEB)

    Asiri, Abdullah M.; Khan, Salman A.; Alamry, Kalid A. [King Abdulaziz University, Jeddah (Saudi Arabia); Al-Amoudi, Muhammed S. [Taif University, Taif (Saudi Arabia)

    2012-06-15

    Three carbazole chromophores featuring dicyano, cyano, ethyl acetate and dimethyl acetate groups as an acceptor moiety with a {pi}-conjugated spacer and N-methyl dibenzo[b]pyrole as donor were synthesized by Knovenagel condensation and characterized by IR, {sup 1}HNMR, {sup 13}CNMR, UV-vis, fluorescence spectroscopy, electrochemistry and theoretical B3LYP/6-311G* level whilst NLO properties and spectroscopic quantities were calculated. Calculations showed remarkable trend with HOMO located on the donor moiety and LUMO on the acceptors dicyano methylene, cyano, ethyl acetate methylene and dimethyl acetate methylene. In agreement with the calculations, solvatochromic, behavior intramolecular charge transfer band was observed in the visible region

  20. Time-resolved spectra of polar-polarizable chromophores in solution

    CERN Document Server

    Terenziani, F; Terenziani, Francesca; Painelli, Anna

    2003-01-01

    A recently proposed model for steady-state spectra of polar-polarizable chromophores is extended to describe time-resolved spectra. The model, based on a two-state picture for the solute and on a continuum overdamped description for the (polar) solvent, grasps the essential physics of solvation dynamics, as demonstrated by the comparison with experimental spectra. The solute (hyper)polarizability is responsible for spectroscopic features that cannot be rationalized within the standard picture based on a linear perturbative treatment of the solute-solvent interaction. In particular, the temporal evolution of band-shapes and the appearance of temporary isosbestic points, two common puzzling features of observed spectra, are natural consequences of the molecular hyperpolarizability and of the consequent coupling between solvation and vibrational degrees of freedom.

  1. Synthesis of Dendrimer Containing Dialkylated-fluorene Unit as a Core Chromophore via Click Chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Han, Seung Choul; Lee, Jae Wook [Dong-A University, Busan (Korea, Republic of); Jin, Sung Ho [Pusan National University, Busan (Korea, Republic of)

    2012-01-15

    The convergent synthetic strategy for the emissive dendrimers having the chromophore at core via the coppercatalyzed 1,3-dipolar cycloaddition reaction between alkyne and azide was described. 2,7-Diazido-9,9-dioctyl- 9H-fluorene, designed to serve as the core in dendrimer, was stitched with the alkyne-functionalized Frechettype and PAMAM dendrons by the click chemistry leading to the formation of the corresponding fluorescent dendrimers in high yields. The preliminary photoluminescence studies indicated that 2,7-diazido-9,9-dioctyl- 9H-fluorene showed no fluorescence due to the quenching effect from the electron-rich α-nitrogen of the azido group but the dendrimers fluoresced due to the elimination of the quenching through the formation of the triazole ring.

  2. Depth profiling of laser-heated chromophores in biological tissues by pulsed photothermal radiometry

    International Nuclear Information System (INIS)

    A solution method is proposed to the inverse problem of determining the unknown initial temperature distribution in a laser-exposed test material from measurements provided by infrared radiometry. A Fredholm integral equation of the first kind is derived that relates the temporal evolution of the infrared signal amplitude to the unknown initial temperature distribution in the exposed test material. The singular-value decomposition is used to demonstrate the severely ill-posed nature of the derived inverse problem. Three inversion methods are used to estimate solutions for the initial temperature distribution. A nonnegatively constrained conjugate-gradient algorithm using early termination is found superior to unconstrained inversion methods and is applied to image the depth of laser-heated chromophores in human skin. Key words: constrained conjugate gradients, ill-posed problem, infrared radiometry, laser surgery, nonnegative, singular-value decomposition

  3. Ochres and earths: Matrix and chromophores characterization of 19th and 20th century artist materials

    Science.gov (United States)

    Montagner, Cristina; Sanches, Diogo; Pedroso, Joana; Melo, Maria João; Vilarigues, Márcia

    2013-02-01

    The present paper describes the main results obtained from the characterization of a wide range of natural and synthetic ochre samples used in Portugal from the 19th to the 20th century, including powder and oil painting samples. The powder ochre samples came from several commercial distributors and from the collection of Joaquim Rodrigo (1912-1997), a leading Portuguese artist, particularly active during the sixties and seventies. The micro-samples of oil painting tubes came from the Museu Nacional de Arte Contemporânea-Museu do Chiado (National Museum of Contemporary Art-Chiado Museum) in Lisbon and were used by Columbano Bordalo Pinheiro (1857-1929), one of the most prominent naturalist Portuguese painters. These tubes were produced by the main 19th century colourmen: Winsor & Newton, Morin et Janet, Maison Merlin, and Lefranc. The samples have been studied using μ-Fourier Transform Infrared Spectroscopy (μ-FTIR), Raman microscopy, μ-Energy Dispersive X-ray fluorescence (μ-EDXRF), and X-ray diffraction (XRD). The analyzed ochres were found to be a mixture of several components: iron oxides and hydroxides in matrixes with kaolinite, gypsum and chalk. The results obtained allowed to identify and characterize the ochres according to their matrix and chromophores. The main chromophores where identified by Raman microscopy as being hematite, goethite and magnetite. The infrared analysis of the ochre samples allowed to divide them into groups, according to the composition of the matrix. It was possible to separate ochres containing kaolinite matrix and/or sulfate matrix from ochres where only iron oxides and/or hydroxides were detected. μ-EDXRF and Raman were the best techniques to identify umber, since the presence of elements such as manganese is characteristic of these pigments. μ-EDXRF also revealed the presence of significant amounts of arsenic in all Sienna tube paints.

  4. Reactive chromophores for sensitive and selective detection of chemical warfare agents and toxic industrial chemicals

    Science.gov (United States)

    Frye-Mason, Greg; Leuschen, Martin; Wald, Lara; Paul, Kateri; Hancock, Lawrence F.

    2005-05-01

    A reactive chromophore developed at MIT exhibits sensitive and selective detection of surrogates for G-class nerve agents. This reporter acts by reacting with the agent to form an intermediate that goes through an internal cyclization reaction. The reaction locks the molecule into a form that provides a strong fluorescent signal. Using a fluorescent sensor platform, Nomadics has demonstrated rapid and sensitive detection of reactive simulants such as diethyl chloro-phosphate (simulant for sarin, soman, and related agents) and diethyl cyanophosphate (simulant for tabun). Since the unreacted chromophore does not fluoresce at the excitation wavelength used for the cyclized reporter, the onset of fluo-rescence can be easily detected. This fluorescence-based detection method provides very high sensitivity and could enable rapid detection at permissible exposure levels. Tests with potential interferents show that the reporter is very selective, with responses from only a few highly toxic, electrophilic chemicals such as phosgene, thionyl chloride, and strong acids such as HF, HCl, and nitric acid. Dimethyl methyl phosphonate (DMMP), a common and inactive simu-lant for other CW detectors, is not reactive enough to generate a signal. The unique selectivity to chemical reactivity means that a highly toxic and hazardous chemical is present when the reporter responds and illustrates that this sensor can provide very low false alarm rates. Current efforts focus on demonstrating the sensitivity and range of agents and toxic industrial chemicals detected with this reporter as well as developing additional fluorescent reporters for a range of chemical reactivity classes. The goal is to produce a hand-held sensor that can sensitively detect a broad range of chemical warfare agent and toxic industrial chemical threats.

  5. Significant Improvement of Optoelectronic and Photovoltaic Properties by Incorporating Thiophene in a Solution-Processable D–A–D Modular Chromophore

    Directory of Open Access Journals (Sweden)

    Aaron M. Raynor

    2015-12-01

    Full Text Available Through the incorporation of a thiophene functionality, a novel solution-processable small organic chromophore was designed, synthesized and characterized for application in bulk-heterojunction solar cells. The new chromophore, (2Z,2′Z-2,2′-(1,4-phenylenebis(3-(5-(4-(diphenylaminophenylthiophen-2-ylacrylonitrile (coded as AS2, was based on a donor–acceptor–donor (D–A–D module where a simple triphenylamine unit served as an electron donor, 1,4-phenylenediacetonitrile as an electron acceptor, and a thiophene ring as the π-bridge embedded between the donor and acceptor functionalities. AS2 was isolated as brick-red, needle-shaped crystals, and was fully characterized by 1H- and 13C-NMR, IR, mass spectrometry and single crystal X-ray diffraction. The optoelectronic and photovoltaic properties of AS2 were compared with those of a structural analogue, (2Z,2′Z-2,2′-(1,4-phenylenebis(3-(4-(diphenylaminophenyl-acrylonitrile (AS1. Benefiting from the covalent thiophene bridges, compared to AS1 thin solid film, the AS2 film showed: (1 an enhancement of light-harvesting ability by 20%; (2 an increase in wavelength of the longest wavelength absorption maximum (497 nm vs. 470 nm and (3 a narrower optical band-gap (1.93 eV vs. 2.17 eV. Studies on the photovoltaic properties revealed that the best AS2-[6,6]-phenyl-C61-butyric acid methyl ester (PC61BM-based device showed an impressive enhanced power conversion efficiency of 4.10%, an approx. 3-fold increase with respect to the efficiency of the best AS1-based device (1.23%. These results clearly indicated that embodiment of thiophene functionality extended the molecular conjugation, thus enhancing the light-harvesting ability and short-circuit current density, while further improving the bulk-heterojunction device performance. To our knowledge, AS2 is the first example in the literature where a thiophene unit has been used in conjunction with a 1,4-phenylenediacetonitrile accepting

  6. D-xylose absorption

    Science.gov (United States)

    D-xylose absorption is a laboratory test to determine how well the intestines absorb a simple sugar (D-xylose). The test ... test is primarily used to determine if nutrient absorption problems are due to a disease of the ...

  7. D-xylose absorption

    Science.gov (United States)

    ... this page: //medlineplus.gov/ency/article/003606.htm D-xylose absorption To use the sharing features on this page, please enable JavaScript. D-xylose absorption is a laboratory test to determine ...

  8. Further advancement of differential optical absorption spectroscopy: theory of orthogonal optical absorption spectroscopy.

    Science.gov (United States)

    Liudchik, Alexander M

    2014-08-10

    A modified version of the differential optical absorption spectroscopy (DOAS) method is presented. The technique is called orthogonal optical absorption spectroscopy (OOAS). A widespread variant of DOAS with smoothing of the registered spectrum and absorption cross sections being made employing a polynomial regression is a particular case of OOAS. The concept of OOAS provides a variety of new possibilities for constructing computational schemes and analyzing the influence of different error sources on calculated concentrations. PMID:25320931

  9. Nutrition and magnesium absorption.

    OpenAIRE

    Brink, E.J.

    1992-01-01

    The influence of various nutrients present in dairy products and soybean-based products on absorption of magnesium has been investigated. The studies demonstrate that soybean protein versus casein lowers apparent magnesium absorption in rats through its phytate component. However, true magnesium absorption was neither affected by soybean protein in the diet nor by supplemental phytate. The inhibitory influence of soybean protein and phytate on apparent magnesium absorption was found to be cau...

  10. Slowing down with resonance absorption

    International Nuclear Information System (INIS)

    The presence of heavy nuclei in nuclear reactors, in significant concentrations, facilitates the appearance of absorption resonances. For the moderation in the presence of absorbers an exact solution of the integral equations is possible by numerical methods. Approximated solutions for separated resonances in function of the practical width, (NR and NRIM approximations) are discussed in this paper. The method is generalized, presenting the solution by an intermediate approximation, in the definition of the resonance integral. (Author)

  11. Absorption and Fluorescence Spectroscopic Properties of 1- and 1,4-Silyl-Substituted Naphthalene Derivatives

    Directory of Open Access Journals (Sweden)

    Kazuhiko Mizuno

    2012-05-01

    Full Text Available Silyl-substituted naphthalene derivatives at the 1- and 1,4-positions were synthesized and their UV absorption, fluorescence spectroscopic properties, and fluorescence lifetimes were determined. Analysis of the results shows that the introduction of silyl groups at these positions of the naphthalene chromophore/fluorophore causes shifts of the absorption maxima to longer wavelengths and increases in fluorescence intensities. Bathochromic shifts of the absorption maxima and increases in fluorescence intensities are also promoted by the introduction of methoxy and cyano groups at the naphthalene 4- and 5-positions. In addition, the fluorescence of 9,10-dicyanoanthracene is efficiently quenched by these naphthalene derivatives with Stern-Volmer plot calculated rate constants that depend on the steric bulk of the silyl groups.

  12. Effects of Charge Location on the Absorptions and Lifetimes of Protonated Tyrosine Peptides in Vacuo

    DEFF Research Database (Denmark)

    Kelly, O.; Calvert, C.R.; Greenwood, J.B.;

    2012-01-01

    -crown-6-ether (CE). The CE targets the ammonium group by forming internal ionic hydrogen bonds and limits the folding of the peptide. In the tripeptide, the distance between the chromophore and the backbone ammonium is enlarged relative to that in the dipeptide. Experiments were performed...... in an electrostatic ion storage ring using a tunable laser system, and action spectra based on lifetime measurements were obtained in the range from 210 to 310 nm. The spectra are all quite similar though there seems to be some changes in the absorption band between 210 and 250 nm, while in the lower energy band all...

  13. Estimation of the CO2 Concentration From the Measurements of Solar Absorption Spectra at an Altitude of 800 Meters by Using the FTS (GOSAT-BBM) in SWIR Region

    Science.gov (United States)

    Yoshida, Y.; Oguma, H.; Morino, I.; Suto, H.; Yokota, T.; Inoue, G.; Kuze, A.

    2006-12-01

    The Greenhouse gases Observing SATellite (GOSAT) is scheduled to be launched in 2008 to observe tropospheric CO2 and CH4 from space. We developed a retrieval algorithm, which simultaneously estimates the CO2 column concentration and the surface albedo from a spectrum of surface scattered solar radiation at 1.6 μm region measured by Fourier Transform Spectrometer (FTS) with some assumptions on the aerosol parameters. To validate and to improve the retrieval algorithm, a field experiment was conducted from 10:30 to 14:30 JST of November 17, 2005 using a bread board model (BBM) of the FTS. The surface scattered and the direct transmitted solar spectra were measured by BBM, which was installed at the terminal station of the ropeway near the summit of Mt. Tsukuba (an altitude of about 800 m). In-situ CO2 concentration was measured continuously at the surface target point and near the BBM. There seemed to exist visible aerosols within the atmospheric boundary layer; however, no measurements of aerosol parameters were made. We have tried to retrieve the CO2 concentrations with the assumptions of no aerosol and the boundary layer aerosol, respectively. Although the absolute values of the retrieved CO2 concentrations are different between these two analyses, the relative patterns of temporal variation of the retrieved column concentrations are similar. Also, there existed the lag correlation between the retrieved CO2 column concentration and the in-situ observed CO2 concentration at the surface target point. This suggests that our algorithm can at least detect the variation of the CO2 concentration. To retrieve more accurate absolute concentration of CO2, effects of aerosol should be considered properly.

  14. Modulation of intestinal absorption of calcium

    International Nuclear Information System (INIS)

    Absorption of ingested calcium (2ml of a 10mM CaCl2 solution + 45Ca) by the adult rat was shown to be facilitated by the simultaneous ingestion of an active carbohydrate, L-arabinose. As the carbohydrate concentration is increased from 10 to 200mM, the absorption of calcium is maximised at a level corresponding to about twice the control absorption level. A similar doubling of calcium absorption is obtained when a 100mM concentration of any one of a number of other carbohydrates is ingested simultaneously with a 10mM CaCl2 solution. Conversely, the simultaneous ingestion of increasing doses (10 to 100mM) of phosphate (NaH2PO4) with a 10mM CaCl2 solution results in decreased 45Ca absorption and retention by the adult rat. The maximum inhibition of calcium absorption by phosphate is independent of the concentration of the ingested calcium solution (from 5 to 50mM CaCl2). The simultaneous ingestion of CaCl2 (10mM) with lactose and sodium phosphate (50 and 10mM respectively) shows that the activation effect of lactose upon 45Ca absorption may be partly dissimulated by the presence of phosphate. These various observations indicate that, within a large concentration range (2 to 50mM CaCl2) calcium absorption appears to be a precisely modulated diffusion process. Calcium absorption varies (between minimum and maximum levels) as a function of the state of saturation by the activators (carbohydrates) and inhibitors (phosphate) of the calcium transport system

  15. Calcium absorption and achlorhydria

    International Nuclear Information System (INIS)

    Defective absorption of calcium has been thought to exist in patients with achlorhydria. The author compared absorption of calcium in its carbonate form with that in a pH-adjusted citrate form in a group of 11 fasting patients with achlorhydria and in 9 fasting normal subjects. Fractional calcium absorption was measured by a modified double-isotope procedure with 0.25 g of calcium used as the carrier. Mean calcium absorption (+/- S.D.) in the patients with achlorhydria was 0.452 +/- 0.125 for citrate and 0.042 +/- 0.021 for carbonate (P less than 0.0001). Fractional calcium absorption in the normal subjects was 0.243 +/- 0.049 for citrate and 0.225 +/- 0.108 for carbonate (not significant). Absorption of calcium from carbonate in patients with achlorhydria was significantly lower than in the normal subjects and was lower than absorption from citrate in either group; absorption from citrate in those with achlorhydria was significantly higher than in the normal subjects, as well as higher than absorption from carbonate in either group. Administration of calcium carbonate as part of a normal breakfast resulted in completely normal absorption in the achlorhydric subjects. These results indicate that calcium absorption from carbonate is impaired in achlorhydria under fasting conditions. Since achlorhydria is common in older persons, calcium carbonate may not be the ideal dietary supplement

  16. Correction method for self-absorption effects of fluorescence x-ray absorption near-edge structure on multilayer samples

    International Nuclear Information System (INIS)

    It is well known that fluorescence x-ray absorption spectroscopy suffers from the self-absorption effects for thick and concentrated samples. In this study, a simple correction method is provided for correcting the self-absorption effects of fluorescence x-ray absorption near edge structure (XANES) spectrum for multilayer samples. This method is validated by application on fluorescence XANES spectra for a Cr/C multilayer measured at different incidence angles. The errors produced by the self-absorption effects for the measured fluorescence x-ray absorption spectra without corrections are also estimated and discussed. (paper)

  17. Differential absorption optical coherence tomography with strong absorption contrast agents of gold nanorods

    Institute of Scientific and Technical Information of China (English)

    Ming WEI; Jun QIAN; Qiuqiang ZHAN; Fuhong CAI; Arash GHARIBI; Sailing HE

    2009-01-01

    Plasmon-resonant gold nanorods (GNRs) are demonstrated as strong absorption contrast agents for optical coherence tomography (OCT). OCT imaging of tissue phantoms doped with GNRs of different resonant wavelengths and concentrations is studied. To utilize the high absorption property of GNRs, a differential absorp-tion OCT imaging is introduced to retrieve the absorption information of GNRs from conventional backscattered signals. It is shown that the contrast of the OCT image can be enhanced significantly when the plasmon resonant wavelength of the GNRs matches the central wavelength of the OCT source.

  18. Novel absorption detection techniques for capillary electrophoresis

    Energy Technology Data Exchange (ETDEWEB)

    Xue, Y.

    1994-07-27

    Capillary electrophoresis (CE) has emerged as one of the most versatile separation methods. However, efficient separation is not sufficient unless coupled to adequate detection. The narrow inner diameter (I.D.) of the capillary column raises a big challenge to detection methods. For UV-vis absorption detection, the concentration sensitivity is only at the {mu}M level. Most commercial CE instruments are equipped with incoherent UV-vis lamps. Low-brightness, instability and inefficient coupling of the light source with the capillary limit the further improvement of UV-vis absorption detection in CE. The goals of this research have been to show the utility of laser-based absorption detection. The approaches involve: on-column double-beam laser absorption detection and its application to the detection of small ions and proteins, and absorption detection with the bubble-shaped flow cell.

  19. Variability of calcium absorption

    International Nuclear Information System (INIS)

    Variability in calcium absorption was estimated in three groups of normal subjects in whom Ca absorption was measured by standard isotopic-tracer methods at interstudy intervals ranging from 1 to 4 mo. Fifty absorption tests were performed in 22 subjects. Each was done in the morning after an overnight fast with an identical standard breakfast containing a Ca load of approximately 250 mg. Individual fractional absorption values were normalized to permit pooling of the data. The coefficient of variation (CVs) for absorption for the three groups ranged from 10.57 to 12.79% with the size of the CV increasing with interstudy duration. One other published study presenting replicate absorption values was analyzed in a similar fashion and was found to have a CV of absorption of 9.78%. From these data we estimate that when the standard double-isotope method is used to measure Ca absorption there is approximately 10% variability around any given absorption value within an individual human subject and that roughly two-thirds of this represents real biological variability in absorption

  20. Synthesis of a novel organic nonlinear optical chromophore and the Testing for μgβ Value

    Institute of Scientific and Technical Information of China (English)

    HAN Li-kun; JIANG Ya-dong; LI Wei; CAI Yuan

    2007-01-01

    A novel second-order nonlinear optical chromophore (DCDHF-2-V) was synthesized from 3-Hydroxy-3-methyl-2-butanae,propanedinitrile and 4-diethylaminobenzaldehyde by aldol condensation reaction. Molecular structural characterization was investigated by elemental analysis,FTIR,and 1H-NMR spectra. The melting point obtained from DSC thermogram was almost 251 ℃,and the compound shows a thermal stability up to 270 ℃. Second-order NLO properties of the chromophore were measured by solvatochromic method. From the quantum-mechanical two-level model,it can be obtained that the μgβ value of DCDHF-2-V is 6520 × 10-48 esu atthe wavelength of 1064 nm.

  1. Analytical Harmonic Vibrational Frequencies for the Green Fluorescent Protein Computed with ONIOM: Chromophore Mode Character and Its Response to Environment.

    Science.gov (United States)

    Thompson, Lee M; Lasoroski, Aurélie; Champion, Paul M; Sage, J Timothy; Frisch, Michael J; van Thor, Jasper J; Bearpark, Michael J

    2014-02-11

    A systematic comparison of different environmental effects on the vibrational modes of the 4-hydroxybenzylidene-2,3-dimethylimidazolinone (HBDI) chromophore using the ONIOM method allows us to model how the molecule's spectroscopic transitions are modified in the Green Fluorescent Protein (GFP). ONIOM(QM:MM) reduces the expense of normal mode calculations when computing the majority of second derivatives only at the MM level. New developments described here for the efficient solution of the CPHF equations, including contributions from electrostatic interactions with environment charges, mean that QM model systems of ∼100 atoms can be embedded within a much larger MM environment of ∼5000 atoms. The resulting vibrational normal modes, their associated frequencies, and dipole derivative vectors have been used to interpret experimental difference spectra (GFPI2-GFPA), chromophore vibrational Stark shifts, and changes in the difference between electronic and vibrational transition dipoles (mode angles) in the protein environment. PMID:26580050

  2. Performance of Popular XC-Functionals for the Description of Excitation Energies in GFP-Like Chromophore Models

    DEFF Research Database (Denmark)

    List, Nanna Holmgaard; Olsen, Jógvan Magnus Haugaard; Rocha-Rinza, Tomás;

    2012-01-01

    Understanding and rationalization of the optical properties of fluorescent proteins are of great importance for life sciences due to their numerous applications as fluorescent biomarkers. Time-dependent density functional theory (TD-DFT) is a computationally appealing approach to accomplish this...... task. We present an evaluation of the performance of commonly used XC-functionals for the prediction of excitation energies of GFP-like chromophores. In particular, we have considered the TD-DFT vertical excitation energies of chromophores displaying different charge states. We compare the quality of...... six XC-functionals, belonging to the GGA, hybrid and Coulomb-attenuated classes of XC-functionals, by comparison with RI-CC2 results. We find that none of the tested XC-functionals are capable of providing a simultaneous good description of all charge states and, interestingly, the hybrid functionals...

  3. In vivo characterization of NcsB3 to establish the complete biosynthesis of the naphthoic acid moiety of the neocarzinostatin chromophore.

    Science.gov (United States)

    Hang, Vu Thi Thu; Oh, Tae Jin; Yamaguchi, Tokutaro; Sohng, Jae Kyung

    2010-10-01

    Neocarzinostatin (NCS) is an enediyne antibiotic produced by Streptomyces carzinostaticus. The NCS chromophore consists of an enediyne core, a sugar moiety, and a naphthoic acid (NA) moiety. The latter plays a key role in binding the NCS chromophore to its apoprotein to protect and stabilize the bioactive NCS chromophore. In this study, we expressed three genes: ncsB (naphthoic acid synthase), ncsB3 (P450 hydroxylase), and ncsB1 (O-methyltransferase), in Streptomyces lividans TK24. The three genes were sufficient to produce 2-hydroxy-7-methoxy-5-methyl-1-naphthoic acid. Production was analyzed and confirmed by LC-MS and nuclear magnetic resonance. Here, we report the functional characterization of ncsB3 and thereby elucidate the complete biosynthetic pathway of NA moiety of the NCS chromophore. PMID:20735485

  4. Nonlinear absorption of radiation in a liquid medium with nanoparticles

    International Nuclear Information System (INIS)

    The thermal diffusion mechanism of nonlinear absorption of light in a liquid medium with nanoparticles has been investigated. A self-similar solution describing the dynamics of the concentration of nanoparticles has been obtained in the low-concentration approximation

  5. Synthesis and Nonlinear Optical Property of a Series of New Chromophores Containing Furan Ring as the Only Conjugation Bridge

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    This paper reports the synthesis and the nonlinear optical property of a series of new chromophores which contain furan ring as the only conjugation bridge for the first time. They are characterized by UV-VIS, FT-IR, 1H NMR, MS and elemental analysis. Their dipole moment and the first-order molecular hyperpolarizability (β) are calculated and compared with those of the analogues containing either benzene or thiophene as the conjugation bridge.

  6. Kinetic isotope effect studies on the de novo rate of chromophore formation in fast- and slow-maturing GFP variants†

    OpenAIRE

    Pouwels, Lauren J.; Zhang, Liping; Chan, Nam H.; Dorrestein, Pieter C.; Wachter, Rebekka M.

    2008-01-01

    The maturation process of green fluorescent protein (GFP) entails a protein oxidation reaction triggered by spontaneous backbone condensation. The chromophore is generated by full conjugation of the Tyr66 phenolic group with the heterocycle, a process that requires C-H bond scission at the benzylic carbon. We have prepared isotope-enriched protein bearing tyrosine residues deuterated at the beta carbon, and have determined kinetic isotope effects (KIEs) on the GFP self-processing reaction. Pr...

  7. Gas treating absorption theory and practice

    CERN Document Server

    Eimer, Dag

    2014-01-01

    Gas Treating: Absorption Theory and Practice provides an introduction to the treatment of natural gas, synthesis gas and flue gas, addressing why it is necessary and the challenges involved.  The book concentrates in particular on the absorption-desorption process and mass transfer coupled with chemical reaction. Following a general introduction to gas treatment, the chemistry of CO2, H2S and amine systems is described, and selected topics from physical chemistry with relevance to gas treating are presented. Thereafter the absorption process is discussed in detail, column hardware is explain

  8. Crystallographic Structure of Xanthorhodopsin, the Light-Driven Proton Pump With a Dual Chromophore

    Energy Technology Data Exchange (ETDEWEB)

    Luecke, H.; Schobert, B.; Stagno, J.; Imasheva, E.S.; Wang, J.M.; Balashov, S.P.; Lanyi, J.K.

    2009-05-19

    Homologous to bacteriorhodopsin and even more to proteorhodopsin, xanthorhodopsin is a light-driven proton pump that, in addition to retinal, contains a noncovalently bound carotenoid with a function of a light-harvesting antenna. We determined the structure of this eubacterial membrane protein-carotenoid complex by X-ray diffraction, to 1.9-{angstrom} resolution. Although it contains 7 transmembrane helices like bacteriorhodopsin and archaerhodopsin, the structure of xanthorhodopsin is considerably different from the 2 archaeal proteins. The crystallographic model for this rhodopsin introduces structural motifs for proton transfer during the reaction cycle, particularly for proton release, that are dramatically different from those in other retinal-based transmembrane pumps. Further, it contains a histidine-aspartate complex for regulating the pK{sub a} of the primary proton acceptor not present in archaeal pumps but apparently conserved in eubacterial pumps. In addition to aiding elucidation of a more general proton transfer mechanism for light-driven energy transducers, the structure defines also the geometry of the carotenoid and the retinal. The close approach of the 2 polyenes at their ring ends explains why the efficiency of the excited-state energy transfer is as high as {approx}45%, and the 46{sup o} angle between them suggests that the chromophore location is a compromise between optimal capture of light of all polarization angles and excited-state energy transfer.

  9. Fluorescent sensors for selective detection of thiols: expanding the intramolecular displacement based mechanism to new chromophores.

    Science.gov (United States)

    Niu, Li-Ya; Zheng, Hai-Rong; Chen, Yu-Zhe; Wu, Li-Zhu; Tung, Chen-Ho; Yang, Qing-Zheng

    2014-03-21

    Biological thiols, including cysteine (Cys), homocystein (Hcy) and glutathione (GSH), play crucial roles in maintaining the appropriate redox status of biological systems. An abnormal level of biothiols is associated with different diseases, therefore, the discrimination between them is of great importance. Herein, we present two fluorescent sensors for selective detection of biothiols based on our recently reported intramolecular displacement mechanism. We expanded this mechanism to commercially available chromophores, 4-chloro-7-nitro-2,1,3-benzoxadiazole (NBD-Cl) and heptamethine cyanine dye IR-780. The sensors operate by undergoing displacement of chloride by thiolate. The amino groups of Cys/Hcy further replace the thiolate to form amino-substituted products, which exhibit dramatically different photophysical properties compared to sulfur-substituted products from the reaction with GSH. NBD-Cl is highly selective towards Cys/Hcy and exhibits significant fluorescence enhancement. IR-780 showed a variation in its fluorescence ratio towards Cys over other thiols. Both of the sensors can be used for live-cell imaging of Cys. The wide applicability of the mechanism may provide a powerful tool for developing novel fluorescent sensors for selective detection of biothiols. PMID:24466567

  10. New Homogeneous Chromophore/Catalyst Concepts for the Solar-Driven Reduction of Carbon Dioxide

    Energy Technology Data Exchange (ETDEWEB)

    Hopkins, Michael D. [The University of Chicago, Chicago, IL (United States)

    2015-06-22

    One of the major scientific and technical challenges of this century is to develop chemical means to store solar energy in the form of fuels. This can be accomplished by developing light-absorbing and catalytic compounds that function cooperatively to rearrange the chemical bonds of feedstocks in a way that allows solar energy to be stored and released on demand. The research conducted during this project was directed toward addressing fundamental questions that underlie the conversion of CO2 to a solar fuel using homogeneous molecular systems. The research focused particularly on developing methods for extracting the reducing equivalents for these photochemical conversions from H2, which is a renewable molecule sourced to water. The research followed two main lines. One effort focused on understanding the general principles that govern how light-absorbing molecules interact with independent H2 oxidation and CO2 reduction catalysts to produce a functional cycle for driving the energy-storing reverse water-gas-shift reaction with light. The second effort centered on developing the excited-state properties and H2 activation chemistry of tungsten–alkylidyne complexes. These chromophores were found to be powerful excited-state reducing agents, which could be incorporated into light-light-harvesting assemblies, and to hold the potential to be regenerated using H2.

  11. Old chromophores, new photoactivation paradigms, trendy applications: flavins in blue light-sensing photoreceptors.

    Science.gov (United States)

    Losi, Aba; Gärtner, Wolfgang

    2011-01-01

    The knowledge on the mechanisms by which blue light (BL) is sensed by diverse and numerous organisms, and of the physiological responses elicited by the BL photoreceptors, has grown remarkably during the last two decades. The basis for this "blue revival" was set by the identification and molecular characterization of long sought plant BL sensors, employing flavins as chromophores, chiefly cryptochromes and phototropins. The latter photosensors are the foundation members of the so-called light, oxygen, voltage (LOV)-protein family, largely spread among archaea, bacteria, fungi and plants. The accumulation of sequenced microbial genomes during the last years has added the BLUF (Blue Light sensing Using FAD) family to the BL photoreceptors and yielded the opportunity for intense "genome mining," which has presented to us the intriguing wealth of BL sensing in prokaryotes. In this contribution we provide an update of flavin-based BL sensors of the LOV and BLUF type, from prokaryotic microorganisms, with special emphasis to their light-activation pathways and molecular signal-transduction mechanisms. Rather than being a fully comprehensive review, this research collects the most recent discoveries and aims to unveil and compare signaling pathways and mechanisms of BL sensors. PMID:21352235

  12. SuperNova, a monomeric photosensitizing fluorescent protein for chromophore-assisted light inactivation.

    Science.gov (United States)

    Takemoto, Kiwamu; Matsuda, Tomoki; Sakai, Naoki; Fu, Donald; Noda, Masanori; Uchiyama, Susumu; Kotera, Ippei; Arai, Yoshiyuki; Horiuchi, Masataka; Fukui, Kiichi; Ayabe, Tokiyoshi; Inagaki, Fuyuhiko; Suzuki, Hiroshi; Nagai, Takeharu

    2013-01-01

    Chromophore-assisted light inactivation (CALI) is a powerful technique for acute perturbation of biomolecules in a spatio-temporally defined manner in living specimen with reactive oxygen species (ROS). Whereas a chemical photosensitizer including fluorescein must be added to specimens exogenously and cannot be restricted to particular cells or sub-cellular compartments, a genetically-encoded photosensitizer, KillerRed, can be controlled in its expression by tissue specific promoters or subcellular localization tags. Despite of this superiority, KillerRed hasn't yet become a versatile tool because its dimerization tendency prevents fusion with proteins of interest. Here, we report the development of monomeric variant of KillerRed (SuperNova) by direct evolution using random mutagenesis. In contrast to KillerRed, SuperNova in fusion with target proteins shows proper localization. Furthermore, unlike KillerRed, SuperNova expression alone doesn't perturb mitotic cell division. Supernova retains the ability to generate ROS, and hence promote CALI-based functional analysis of target proteins overcoming the major drawbacks of KillerRed. PMID:24043132

  13. Dual Fluorescence in GFP Chromophore Analogues: Chemical Modulation of Charge Transfer and Proton Transfer Bands.

    Science.gov (United States)

    Chatterjee, Tanmay; Mandal, Mrinal; Das, Ananya; Bhattacharyya, Kalishankar; Datta, Ayan; Mandal, Prasun K

    2016-04-14

    Dual fluorescence of GFP chromophore analogues has been observed for the first time. OHIM (o-hydroxy imidazolidinone) shows only a charge transfer (CT) band, CHBDI (p-cyclicamino o-hydroxy benzimidazolidinone) shows a comparable intensity CT and PT (proton transfer) band, and MHBDI (p-methoxy o-hydroxy benzimidazolidinone) shows a higher intensity PT band. It could be shown that the differential optical behavior is not due to conformational variation in the solid or solution phase. Rather, control of the excited state electronic energy level and excited state acidity constant by functional group modification could be shown to be responsible for the differential optical behavior. Chemical modification-induced electronic control over the relative intensity of the charge transfer and proton transfer bands could thus be evidenced. Support from single-crystal X-ray structure, NMR, femtosecond to nanosecond fluorescence decay analysis, and TDDFT-based calculation provided important information and thus helped us understand the photophysics better. PMID:26998908

  14. Visible to NIR DLP hyperspectral imaging system for surgical utility using inherent chromophores and fluorescent probes

    Science.gov (United States)

    Mangum, Michael L.; Saint-Cyr, Michel; Wehner, Eleanor F.; Thapa, Abhas; Livingston, Edward; Zuzak, Karel J.

    2011-03-01

    Visible DLP® hyperspectral reflectance imaging in medical applications is limited by the lack of penetration of visible light for visualization of deeper vessels and tissues. The longer, near infrared (NIR) wavelengths, capable of facilitating chromophore and fluorophore visualization, penetrate deeper allowing visualization of anatomical structures in surgical settings. Digital micromirror device (DMD) chips allow for digital programming of complex spectral illuminations with bandwidths as low as 7nm. Furthermore, fluorescence can be maximized by programming the DMD chip to illuminate with light precisely configured to contain excitation spectra. We have developed a "mid-range" system that extends from the visible light range into the NIR (525nm - 1050nm) and has been characterized and configured for fluorescence of indocyanine green (ICG). The DMD-based light source was found to be within the manufacturer's spectral specifications and proved to be very versatile in both spectral behavior and application. Fluorescence of ICG was successfully optimized by this system and demonstrated in capillary tubes and excised tissue.

  15. Preorganized Chromophores Facilitate Triplet Energy Migration, Annihilation and Upconverted Singlet Energy Collection.

    Science.gov (United States)

    Mahato, Prasenjit; Yanai, Nobuhiro; Sindoro, Melinda; Granick, Steve; Kimizuka, Nobuo

    2016-05-25

    Photon upconversion (UC) based on triplet-triplet annihilation (TTA) has the potential to enhance significantly photovoltaic and photocatalytic efficiencies by harnessing sub-bandgap photons, but the progress of this field is held back by the chemistry problem of how to preorganize multiple chromophores for efficient UC under weak solar irradiance. Recently, the first maximization of UC quantum yield at solar irradiance was achieved using fast triplet energy migration (TEM) in metal-organic frameworks (MOFs) with ordered acceptor arrays, but at the same time, a trade-off between fast TEM and high fluorescence efficiency was also found. Here, we provide a solution for this trade-off issue by developing a new strategy, triplet energy migration, annihilation and upconverted singlet energy collection (TEM-UPCON). The porous structure of acceptor-based MOF crystals allows triplet donor molecules to be accommodated without aggregation. The surface of donor-doped MOF nanocrystals is modified with highly fluorescent energy collectors through coordination bond formation. Thanks to the higher fluorescence quantum yield of surface-bound collectors than parent MOFs, the implementation of the energy collector greatly improves the total UC quantum yield. The UC quantum yield maximization behavior at ultralow excitation intensity was retained because the TTA events take place only in the MOF acceptors. The TEM-UPCON concept may be generalized to collectors with various functions and would lead to quantitative harvesting of upconverted energy, which is difficult to achieve in common molecular diffusion-based systems. PMID:27163784

  16. Chromophore-immobilized luminescent metal-organic frameworks as potential lighting phosphors and chemical sensors.

    Science.gov (United States)

    Wang, Fangming; Liu, Wei; Teat, Simon J; Xu, Feng; Wang, Hao; Wang, Xinlong; An, Litao; Li, Jing

    2016-08-11

    An organic chromophore H4tcbpe-F was synthesized and immobilized into metal-organic frameworks along with two bipyridine derivatives as co-ligands to generate two strongly luminescent materials [Zn2(tcbpe-F)(4,4'-bpy)·xDMA] (1) and [Zn2(tcbpe-F)(bpee)·xDMA] (2) [4,4'-bpy = 4,4'-bipyridine, bpee = 4,4'-bipyridyl-ethylene, tcbpe-F = 4',4''',4''''',4'''''''-(ethene-1,1,2,2-tetrayl)tetrakis(3-fluoro-[1,1'-biphenyl]-4-carboxylic acid), DMA = N,N-dimethylacetamide]. Compounds 1 and 2 are isoreticular and feature a 2-fold interpenetrated three-dimensional porous structure. Both compounds give green-yellow emission under blue light excitation. Compound 1 has a high internal quantum yield of ∼51% when excited at 455 nm and shows selective luminescence signal change (e.g. emission energy and/or intensity) towards different solvents, including both aromatic and nonaromatic volatile organic species. These properties make it potentially useful as a lighting phosphor and a chemical sensor. PMID:27465685

  17. Crystallographic Structure of Xanthorhodopsin, the Light-Driven Proton Pump With a Dual Chromophore

    International Nuclear Information System (INIS)

    Homologous to bacteriorhodopsin and even more to proteorhodopsin, xanthorhodopsin is a light-driven proton pump that, in addition to retinal, contains a noncovalently bound carotenoid with a function of a light-harvesting antenna. We determined the structure of this eubacterial membrane protein-carotenoid complex by X-ray diffraction, to 1.9-(angstrom) resolution. Although it contains 7 transmembrane helices like bacteriorhodopsin and archaerhodopsin, the structure of xanthorhodopsin is considerably different from the 2 archaeal proteins. The crystallographic model for this rhodopsin introduces structural motifs for proton transfer during the reaction cycle, particularly for proton release, that are dramatically different from those in other retinal-based transmembrane pumps. Further, it contains a histidine-aspartate complex for regulating the pKa of the primary proton acceptor not present in archaeal pumps but apparently conserved in eubacterial pumps. In addition to aiding elucidation of a more general proton transfer mechanism for light-driven energy transducers, the structure defines also the geometry of the carotenoid and the retinal. The close approach of the 2 polyenes at their ring ends explains why the efficiency of the excited-state energy transfer is as high as ∼45%, and the 46o angle between them suggests that the chromophore location is a compromise between optimal capture of light of all polarization angles and excited-state energy transfer

  18. Chromophore-Assisted Light Inactivation of Mitochondrial Electron Transport Chain Complex II in Caenorhabditis elegans.

    Science.gov (United States)

    Wojtovich, Andrew P; Wei, Alicia Y; Sherman, Teresa A; Foster, Thomas H; Nehrke, Keith

    2016-01-01

    Mitochondria play critical roles in meeting cellular energy demand, in cell death, and in reactive oxygen species (ROS) and stress signaling. Most Caenorhabditis elegans loss-of-function (lf) mutants in nuclear-encoded components of the respiratory chain are non-viable, emphasizing the importance of respiratory function. Chromophore-Assisted Light Inactivation (CALI) using genetically-encoded photosensitizers provides an opportunity to determine how individual respiratory chain components contribute to physiology following acute lf. As proof-of-concept, we expressed the 'singlet oxygen generator' miniSOG as a fusion with the SDHC subunit of respiratory complex II, encoded by mev-1 in C. elegans, using Mos1-mediated Single Copy Insertion. The resulting mev-1::miniSOG transgene complemented mev-1 mutant phenotypes in kn1 missense and tm1081(lf) deletion mutants. Complex II activity was inactivated by blue light in mitochondria from strains expressing active miniSOG fusions, but not those from inactive fusions. Moreover, light-inducible phenotypes in vivo demonstrated that complex II activity is important under conditions of high energy demand, and that specific cell types are uniquely susceptible to loss of complex II. In conclusion, miniSOG-mediated CALI is a novel genetic platform for acute inactivation of respiratory chain components. Spatio-temporally controlled ROS generation will expand our understanding of how the respiratory chain and mitochondrial ROS influence whole organism physiology. PMID:27440050

  19. Probing microhydration effect on the electronic structure of the GFP chromophore anion: Photoelectron spectroscopy and theoretical investigations

    Energy Technology Data Exchange (ETDEWEB)

    Bhaskaran-Nair, Kiran; Shelton, William A. [Cain Department of Chemical Engineering, Louisiana State University, Baton Rouge, Louisiana 70803 (United States); Center for Computation and Technology, Louisiana State University, Baton Rouge, Louisiana 70803 (United States); Valiev, Marat; Kowalski, Karol, E-mail: karol.kowalski@pnnl.gov [William R. Wiley Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, K8-91, P.O. Box 999, Richland, Washington 99352 (United States); Deng, S. H. M.; Wang, Xue-Bin, E-mail: xuebin.wang@pnnl.gov [Physical Sciences Division, Pacific Northwest National Laboratory, K8-88, P.O. Box 999, Richland, Washington 99352 (United States)

    2015-12-14

    The photophysics of the Green Fluorescent Protein (GFP) chromophore is critically dependent on its local structure and on its environment. Despite extensive experimental and computational studies, there remain many open questions regarding the key fundamental variables that govern this process. One outstanding problem is the role of autoionization as a possible relaxation pathway of the excited state under different environmental conditions. This issue is considered in our work through combined experimental and theoretical studies of microsolvated clusters of the deprotonated p-hydroxybenzylidene-2,3-dimethylimidazolinone anion (HBDI{sup −}), an analog of the GFP chromophore. Through selective generation of microsolvated structures of predetermined size and subsequent analysis of experimental photoelectron spectra by high level ab initio methods, we are able to precisely identify the structure of the system, establish the accuracy of theoretical data, and provide reliable description of auto-ionization process as a function of hydrogen-bonding environment. Our study clearly illustrates the first few water molecules progressively stabilize the excited state of the chromophore anion against the autodetached neutral state, which should be an important trait for crystallographic water molecules in GFPs that has not been fully explored to date.

  20. Probing microhydration effect on the electronic structure of the GFP chromophore anion: Photoelectron spectroscopy and theoretical investigations

    Science.gov (United States)

    Bhaskaran-Nair, Kiran; Valiev, Marat; Deng, S. H. M.; Shelton, William A.; Kowalski, Karol; Wang, Xue-Bin

    2015-12-01

    The photophysics of the Green Fluorescent Protein (GFP) chromophore is critically dependent on its local structure and on its environment. Despite extensive experimental and computational studies, there remain many open questions regarding the key fundamental variables that govern this process. One outstanding problem is the role of autoionization as a possible relaxation pathway of the excited state under different environmental conditions. This issue is considered in our work through combined experimental and theoretical studies of microsolvated clusters of the deprotonated p-hydroxybenzylidene-2,3-dimethylimidazolinone anion (HBDI-), an analog of the GFP chromophore. Through selective generation of microsolvated structures of predetermined size and subsequent analysis of experimental photoelectron spectra by high level ab initio methods, we are able to precisely identify the structure of the system, establish the accuracy of theoretical data, and provide reliable description of auto-ionization process as a function of hydrogen-bonding environment. Our study clearly illustrates the first few water molecules progressively stabilize the excited state of the chromophore anion against the autodetached neutral state, which should be an important trait for crystallographic water molecules in GFPs that has not been fully explored to date.

  1. Probing microhydration effect on the electronic structure of the GFP chromophore anion. Photoelectron spectroscopy and theoretical investigations

    Energy Technology Data Exchange (ETDEWEB)

    Bhaskaran-Nair, Kiran [Louisiana State Univ., Baton Rouge, LA (United States); Valiev, Marat [Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Atmospheric Science and Global Change Div. (ASGC); Deng, Shihu [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Shelton, William A. [Louisiana State Univ., Baton Rouge, LA (United States); Kowalski, Karol [Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Atmospheric Science and Global Change Div. (ASGC); Wang, Xue B. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2015-12-14

    The photophysics of Green Fluorescent Protein (GFP) chromophore is critically dependent on its local structure and on its environment. Despite extensive experimental and computational studies, there remain many open questions regarding the key fundamental variables that govern this process. One outstanding problem is the role of autoionization as a possible relaxation pathway of the excited state under different environmental conditions. This issue is considered in our work through combined experimental and theoretical studies of microsolvated clusters of the deprotonated p-hydroxybenzylidene-2,3-dimethylimidazolinone anion (HBDI⁻), an analog of GFP chromophore. Through selective generation of microsolvated structures of predetermined size and subsequent analysis of experimental photoelectron spectra by high level ab-initio methods we are able to precisely identify the structure of the system, establish the accuracy of theoretical data, and provide reliable description of auto-ionization process as a function of hydrogen-bonding environment. Our study clearly illustrates the first few water molecules progressively stabilize the excited state of the chromophore anion against the autodetached neutral state, which should be an important trait for crystallographic water molecules in GFPs that has not been fully explored to date.

  2. Photocatalytic degradation of different chromophoric dyes in aqueous phase using La and Mo doped TiO2 hybrid carbon spheres

    International Nuclear Information System (INIS)

    Highlights: • La and Mo doped TiO2 hybrid carbon spheres have been synthesized using hydrothermal method. • The characterization of La and Mo doped TiO2 hybrid carbon spheres uniform morphology having anatase phase and good structural stability. • TiO2 hybrid carbon spheres with dopant concentration of 2.0% (La) and 1.5% (Mo) showed the highest photocatalytic activity as compared to the other dopant concentrations for the degradation of all the dyes under investigation. - Abstract: La and Mo-doped TiO2 coated carbon spheres have been synthesized using the hydrothermal method. The prepared materials were characterized by standard analytical techniques, X-ray diffraction (XRD), UV–Vis spectrophotometry, scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX) and Raman spectroscopy. The XRD and Raman spectroscopic analysis showed that the particles are in anatase phase. The EDX and SEM images showed that La/Mo-doped TiO2 are present on the surface of the carbon spheres. The photocatalytic activity of the synthesized particles were tested by studying the degradation of three different chromophoric dyes, i.e., Acid Yellow 29 (azo dye), Coomassie Brilliant Blue G250 (triphenylmethane dye) and Acid Green 25 (anthraquinone dye) as a function of time on irradiation in aqueous suspension. TiO2 particle with dopant concentration of 2.0% La and 1.5% Mo showed the highest photocatalytic activity as compared to the other dopant concentrations for the degradation of all the dyes under investigation

  3. Effects of nitrate and phosphate supply on chromophoric and fluorescent dissolved organic matter in the Eastern Tropical North Atlantic: a mesocosm study

    Science.gov (United States)

    Loginova, A. N.; Borchard, C.; Meyer, J.; Hauss, H.; Kiko, R.; Engel, A.

    2015-12-01

    In open-ocean regions, as is the Eastern Tropical North Atlantic (ETNA), pelagic production is the main source of dissolved organic matter (DOM) and is affected by dissolved inorganic nitrogen (DIN) and phosphorus (DIP) concentrations. Changes in pelagic production under nutrient amendments were shown to also modify DOM quantity and quality. However, little information is available about the effects of nutrient variability on chromophoric (CDOM) and fluorescent (FDOM) DOM dynamics. Here we present results from two mesocosm experiments ("Varied P" and "Varied N") conducted with a natural plankton community from the ETNA, where the effects of DIP and DIN supply on DOM optical properties were studied. CDOM accumulated proportionally to phytoplankton biomass during the experiments. Spectral slope (S) decreased over time indicating accumulation of high molecular weight DOM. In Varied N, an additional CDOM portion, as a result of bacterial DOM reworking, was determined. It increased the CDOM fraction in DOC proportionally to the supplied DIN. The humic-like FDOM component (Comp.1) was produced by bacteria proportionally to DIN supply. The protein-like FDOM component (Comp.2) was released irrespectively to phytoplankton or bacterial biomass, but depended on DIP and DIN concentrations. Under high DIN supply, Comp.2 was removed by bacterial reworking, leading to an accumulation of humic-like Comp.1. No influence of nutrient availability on amino acid-like FDOM component in peptide form (Comp.3) was observed. Comp.3 potentially acted as an intermediate product during formation or degradation of Comp.2. Our findings suggest that changes in nutrient concentrations may lead to substantial responses in the quantity and quality of optically active DOM and, therefore, might bias results of the applied in situ optical techniques for an estimation of DOC concentrations in open-ocean regions.

  4. Photocatalytic degradation of different chromophoric dyes in aqueous phase using La and Mo doped TiO{sub 2} hybrid carbon spheres

    Energy Technology Data Exchange (ETDEWEB)

    Raza, Waseem; Haque, M.M. [Department of Chemistry, Aligarh Muslim University, Aligarh 202002 (India); Muneer, M., E-mail: m.muneer.ch@amu.ac.in [Department of Chemistry, Aligarh Muslim University, Aligarh 202002 (India); Fleisch, M.; Hakki, A.; Bahnemann, D. [Institut fuer Technische Chemie, Leibniz Universität Hannover, Callinstrasse 3, D-30167 Hannover (Germany)

    2015-05-25

    Highlights: • La and Mo doped TiO{sub 2} hybrid carbon spheres have been synthesized using hydrothermal method. • The characterization of La and Mo doped TiO{sub 2} hybrid carbon spheres uniform morphology having anatase phase and good structural stability. • TiO{sub 2} hybrid carbon spheres with dopant concentration of 2.0% (La) and 1.5% (Mo) showed the highest photocatalytic activity as compared to the other dopant concentrations for the degradation of all the dyes under investigation. - Abstract: La and Mo-doped TiO{sub 2} coated carbon spheres have been synthesized using the hydrothermal method. The prepared materials were characterized by standard analytical techniques, X-ray diffraction (XRD), UV–Vis spectrophotometry, scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX) and Raman spectroscopy. The XRD and Raman spectroscopic analysis showed that the particles are in anatase phase. The EDX and SEM images showed that La/Mo-doped TiO{sub 2} are present on the surface of the carbon spheres. The photocatalytic activity of the synthesized particles were tested by studying the degradation of three different chromophoric dyes, i.e., Acid Yellow 29 (azo dye), Coomassie Brilliant Blue G250 (triphenylmethane dye) and Acid Green 25 (anthraquinone dye) as a function of time on irradiation in aqueous suspension. TiO{sub 2} particle with dopant concentration of 2.0% La and 1.5% Mo showed the highest photocatalytic activity as compared to the other dopant concentrations for the degradation of all the dyes under investigation.

  5. Effect of methoxy or benzyloxy groups bound to an amino-benzene donor unit for various nonlinear optical chromophores as studied by hyper-Rayleigh scattering

    Energy Technology Data Exchange (ETDEWEB)

    Yamada, Toshiki, E-mail: toshiki@nict.go.jp [Advanced ICT Research Institute, National Institute of Information and Communications Technology, 588-2 Iwaoka, Kobe 651-2492 (Japan); Aoki, Isao; Miki, Hideki; Yamada, Chiyumi; Otomo, Akira [Advanced ICT Research Institute, National Institute of Information and Communications Technology, 588-2 Iwaoka, Kobe 651-2492 (Japan)

    2013-05-15

    We report the molecular first hyperpolarizability (β) of a series of nonlinear optical (NLO) chromophores comprising amino-benzene with an additional methoxy or benzyloxy group as the donor units, polyene, phenyl-di-vinylene, or thienyl-di-vinylene as the π-electron bridges, and 2-(dicyanomethylene)-3-cyano-4,5,5-trimethyl-2,5-dihydrofuran (TCF), 2-(dicyanomethylene)-3-cyano-4,5-dimethyl-5-trifluoromethyl-2, 5-dihydrofuran (CF{sub 3}–TCF) or 2-(dicyanomethylene)-3-cyano-4-methyl-5-phenyl-5-trifluoromethyl-2, 5-dihydrofuran (CF{sub 3}–phenyl–TCF) as the acceptor units. An improvement in linear and nonlinear optical properties was found in the long π-conjugated NLO chromophores with methoxy or benzyloxy groups compared with benchmark chromophores without these groups. We also discuss a possible mechanism with a contribution for improvement, that is, intra-molecular hydrogen bonding. Highlights: ► We report the molecular first hyperpolarizability of a series of NLO chromophores. ► Effect of methoxy or benzyloxy group bound to amino-benzene donor unit was studied. ► Improvements in NLO properties were found for the modified NLO chromophores. ► Intra-molecular hydrogen bonding as a mechanism for the improvement was proposed. ► We found an important area of progress in the design of NLO chromophores.

  6. Effect of methoxy or benzyloxy groups bound to an amino-benzene donor unit for various nonlinear optical chromophores as studied by hyper-Rayleigh scattering

    International Nuclear Information System (INIS)

    We report the molecular first hyperpolarizability (β) of a series of nonlinear optical (NLO) chromophores comprising amino-benzene with an additional methoxy or benzyloxy group as the donor units, polyene, phenyl-di-vinylene, or thienyl-di-vinylene as the π-electron bridges, and 2-(dicyanomethylene)-3-cyano-4,5,5-trimethyl-2,5-dihydrofuran (TCF), 2-(dicyanomethylene)-3-cyano-4,5-dimethyl-5-trifluoromethyl-2, 5-dihydrofuran (CF3–TCF) or 2-(dicyanomethylene)-3-cyano-4-methyl-5-phenyl-5-trifluoromethyl-2, 5-dihydrofuran (CF3–phenyl–TCF) as the acceptor units. An improvement in linear and nonlinear optical properties was found in the long π-conjugated NLO chromophores with methoxy or benzyloxy groups compared with benchmark chromophores without these groups. We also discuss a possible mechanism with a contribution for improvement, that is, intra-molecular hydrogen bonding. Highlights: ► We report the molecular first hyperpolarizability of a series of NLO chromophores. ► Effect of methoxy or benzyloxy group bound to amino-benzene donor unit was studied. ► Improvements in NLO properties were found for the modified NLO chromophores. ► Intra-molecular hydrogen bonding as a mechanism for the improvement was proposed. ► We found an important area of progress in the design of NLO chromophores

  7. Nonlinear Optical Properties of Bacteriorhodopsin and Retinal Chromophores and Their Applications for Optical Information Storage and Processing.

    Science.gov (United States)

    Chen, Zhongping

    Retinal, a conjugated polyene, plays a crucial role in biology. Both the visual pigments and the energy transducing protein, bacteriorhodopsin (BR) have a form of retinal as their chromophores. Because visual excitation and energy transduction in these systems is initiated by the promotion of retinal to an excited electronic state, information about the excited-state structure of retinal and the effect of chromophore/protein interactions on this structure are essential to understanding the functions of these systems. In this thesis, surface second harmonic (SH) generation is used to measure the light-induced dipole moment changes of a series of retinal derivatives that were designed and synthesized to model specific components of chromophore/protein interactions. In addition, we report an in situ probe of the dipole moment change of the retinal chromophore bound in BR by SH generation from oriented purple membranes. The dipole moment changes of various forms of BR, including light-adapted, dark-adapted, blue, and acid purple membrane, were measured and compared. These results, combined with the results from model compounds, elucidate the effects of the chromophore/protein interactions on light-induced charge redistribution and give insight on the fundamental nature of light excitation and energy storage in SR and rhodopsin. Furthermore, the dependence of the molecular hyperpolarizability of the conjugated molecules on donor/acceptor strength, protonation, conjugate length, planarity, and nonconjugate charges is investigated. Our study shows for the first time that nonconjugated charges have a very large effect on the nonlinear optical properties of conjugated molecules. BR has interesting photochromic characteristics, very large optical nonlinearities, and a unique optoelectrical property where the polarity of the photovoltage depends on both its photochromic state and the excitation wavelength. These unique characteristics coupled with its high stability make BR

  8. Absorption of carbon dioxide in waste tanks

    International Nuclear Information System (INIS)

    Air flow rates and carbon dioxide concentrations of air entering and exiting eight H-Area waste tanks were monitored for a period of one year. The average instanteous concentration of carbon dioxide in air is within the range reported offsite, and therefore is not affect by operation of the coal-fired power plant adjacent to the tank farm. Waste solutions in each of the tanks were observed to be continuously absorbing carbon dioxide. The rate of absorption of carbon dioxide decreased linearly with the pH of the solution. Personnel exposure associated with the routine sampling and analysis of radioactive wastes stored at SRP to determine the levels of corrosion inhibitors in solution could be reduced by monitoring the absorption of carbon dioxide and using the relationship between pH and carbon dioxide absorption to determine the free hydroxide concentration in solution

  9. Zeeman atomic absorption spectroscopy

    International Nuclear Information System (INIS)

    A new method of background correction in atomic absorption spectroscopy has recently been introduced, based on the Zeeman splitting of spectral lines in a magnetic field. A theoretical analysis of the background correction capability observed in such instruments is presented. A Zeeman atomic absorption spectrometer utilizing a 50 Hz sine wave modulated magnetic field is described. (Auth.)

  10. Nutrition and magnesium absorption.

    NARCIS (Netherlands)

    Brink, E.J.

    1992-01-01

    The influence of various nutrients present in dairy products and soybean-based products on absorption of magnesium has been investigated. The studies demonstrate that soybean protein versus casein lowers apparent magnesium absorption in rats through its phytate component. However, true magnesium abs

  11. Petawatt laser absorption bounded

    CERN Document Server

    Levy, Matthew C; Tabak, Max; Libby, Stephen B; Baring, Matthew G

    2014-01-01

    The interaction of petawatt ($10^{15}\\ \\mathrm{W}$) lasers with solid matter forms the basis for advanced scientific applications such as table-top particle accelerators, ultrafast imaging systems and laser fusion. Key metrics for these applications relate to absorption, yet conditions in this regime are so nonlinear that it is often impossible to know the fraction of absorbed light $f$, and even the range of $f$ is unknown. Here using a relativistic Rankine-Hugoniot-like analysis, we show for the first time that $f$ exhibits a theoretical maximum and minimum. These bounds constrain nonlinear absorption mechanisms across the petawatt regime, forbidding high absorption values at low laser power and low absorption values at high laser power. For applications needing to circumvent the absorption bounds, these results will accelerate a shift from solid targets, towards structured and multilayer targets, and lead the development of new materials.

  12. Mass concentration and ion composition of coarse and fine particles in an urban area in Beirut: effect of calcium carbonate on the absorption of nitric and sulfuric acids and the depletion of chloride

    Science.gov (United States)

    Kouyoumdjian, H.; Saliba, N. A.

    2006-05-01

    Levels of coarse (PM10-2.5) and fine (PM2.5) particles were determined between February 2004 and January 2005 in the city of Beirut, Lebanon. While low PM mass concentrations were measured in the rainy season, elevated levels were detected during sand storms originating from Arabian desert and/or Africa. Using ATR-FTIR and IC, it was shown that nitrate, sulfate, carbonate and chloride were the main anionic constituents of the coarse particles, whereas sulfate was mostly predominant in the fine particles in the form of (NH4)2SO4. Ammonium nitrate was not expected to be important because the medium was defined as ammonium poor. In parallel, the cations Ca2+ and Na+ dominated in the coarse, and NH4+, Ca2+ and Na+ in the fine particles. Coarse nitrate and sulfate ions resulted from the respective reactions of nitric and sulfuric acid with a relatively high amount of calcium carbonate. Both CaCO3 and Ca(NO3)2 crystals identified by ATR-FTIR in the coarse particles were found to be resistant to soaking in water for 24 h but became water soluble when they were formed in the fine particles suggesting, thereby, different growth and adsorption phenomena. The seasonal variational study showed that nitrate and sulfate ion concentrations increased in the summer due to the enhancement of photochemical reactions which facilitated the conversion of NO2 and SO2 gases into NO3- and SO42-, respectively. While nitrate was mainly due to local heavy traffic, sulfates were due to local and long-range transport phenomena. Using the air mass trajectory HYSPLIT model, it was found that the increase in the sulfate concentration correlated with wind vectors coming from Eastern and Central Europe. Chloride levels, on the other hand, were high when wind originated from the sea and low during sand storms. In addition to sea salt, elevated levels of chloride were also attributed to waste mass burning in proximity to the site. In comparison to other neighboring Mediterranean countries, relatively

  13. Mass concentration and ion composition of coarse and fine particles in an urban area in Beirut: effect of calcium carbonate on the absorption of nitric and sulfuric acids and the depletion of chloride

    Directory of Open Access Journals (Sweden)

    H. Kouyoumdjian

    2006-01-01

    Full Text Available Levels of coarse (PM10-2.5 and fine (PM2.5 particles were determined between February 2004 and January 2005 in the city of Beirut, Lebanon. While low PM mass concentrations were measured in the rainy season, elevated levels were detected during sand storms originating from Arabian desert and/or Africa. Using ATR-FTIR and IC, it was shown that nitrate, sulfate, carbonate and chloride were the main anionic constituents of the coarse particles, whereas sulfate was mostly predominant in the fine particles in the form of (NH42SO4. Ammonium nitrate was not expected to be important because the medium was defined as ammonium poor. In parallel, the cations Ca2+ and Na+ dominated in the coarse, and NH4+, Ca2+ and Na+ in the fine particles. Coarse nitrate and sulfate ions resulted from the respective reactions of nitric and sulfuric acid with a relatively high amount of calcium carbonate. Both CaCO3 and Ca(NO32 crystals identified by ATR-FTIR in the coarse particles were found to be resistant to soaking in water for 24 h but became water soluble when they were formed in the fine particles suggesting, thereby, different growth and adsorption phenomena. The seasonal variational study showed that nitrate and sulfate ion concentrations increased in the summer due to the enhancement of photochemical reactions which facilitated the conversion of NO2 and SO2 gases into NO3- and SO42-, respectively. While nitrate was mainly due to local heavy traffic, sulfates were due to local and long-range transport phenomena. Using the air mass trajectory HYSPLIT model, it was found that the increase in the sulfate concentration correlated with wind vectors coming from Eastern and Central Europe. Chloride levels, on the other hand, were high when wind originated from the sea and low during sand storms. In addition to sea salt, elevated levels of chloride were also attributed to waste mass burning in proximity to the site. In comparison to other neighboring Mediterranean

  14. Inflow rate-driven changes in the composition and dynamics of chromophoric dissolved organic matter in a large drinking water lake.

    Science.gov (United States)

    Zhou, Yongqiang; Zhang, Yunlin; Jeppesen, Erik; Murphy, Kathleen R; Shi, Kun; Liu, Mingliang; Liu, Xiaohan; Zhu, Guangwei

    2016-09-01

    Drinking water lakes are threatened globally and therefore in need of protection. To date, few studies have been carried out to investigate how the composition and dynamics of chromophoric dissolved organic matter (CDOM) in drinking water lakes are influenced by inflow rate. Such CDOM can lead to unpleasant taste and odor of the water and produce undesirable disinfection byproducts during drinking water treatment. We studied the drinking water Lake Qiandao, China, and found that the concentrations of suspended particulate matter (SPM) in the lake increased significantly with inflow rate (p C3 and a negative relationship between inflow rate and the first principal component (PC1) scores, which, in turn, were negatively related to the concentrations and relative molecular size of CDOM (p < 0.001), i.e. the concentration and molecular size of CDOM entering the lake increased proportionately with inflow rate. Furthermore, stable isotopes (δD and δ(18)O) were depleted in the upstream river mouth relative to downstream remaining lake regions, substantiating that riverine CDOM entering the lake was probably driven by inflow rate. This was further underpinned by remarkably higher mean chlorophyll-a and in situ measured terrestrial CDOM fluorescence (365/480 nm) and apparent oxygen utilization (AOU), and notably lower mean PC1 and CDOM spectral slope (S275-295) recorded in the upstream river mouth than in the downstream main lake area. Strong negative correlations between inflow rate and a(250):a(365), S275-295, and the spectral slope ratio (SR) implied that CDOM input to the lake in rainy period was dominated by larger organic molecules with a more humic-like character. Rainy period, especially rainstorm events, therefore poses a risk to drinking water safety and requires higher removal efficiency of CDOM during drinking water treatment processes. PMID:27192356

  15. Synthesis and light-emitting properties of disubstituted polyacetylenes carrying chromophoric naphthylethynylphenyl pendants.

    Science.gov (United States)

    Lam, Jacky W Y; Qin, Anjun; Dong, Yongqiang; Hong, Yuning; Jim, Cathy K W; Liu, Jianzhao; Dong, Yuping; Kwok, Hoi Sing; Tang, Ben Zhong

    2008-09-11

    Poly(1-phenyl-1-alkyne)s bearing chromophoric pendants and containing alkyl spacers (-{(C 6H 5)CC[(CH 2) m OCOC 6H 4CCNp]} n - [P 1( m) ( m = 3, 4, 9); Np = 1-naphthyl]) were synthesized, and the effects of structural variations on the optical properties, especially electroluminescence, of the polymers were investigated. The monomers were prepared in high yields by esterification and coupling reactions of n-phenyl-( n - 1)-alkyn-1-ols. Selective polymerizations of the 1-phenyl-1-alkyne unit of the monomers were effected by WCl 6-Ph 4Sn catalyst, affording polymers with high molecular weights ( M w up to 63 000) in high yields (up to 83%). Structures and properties of the polymers were characterized and evaluated by IR, NMR, TGA, UV, PL, and EL analyses. All the polymers are thermally very stable, losing almost no weight when heated up to 400 degrees C. Photoexcitation of the polymer solutions induces strong blue light emission at 460 nm, with quantum yields up to 98%. No aggregation quenching was observed when the polymers were fabricated into solid films. Multilayer EL devices with the configuration of ITO/P 1( m):PVK/BCP/Alq 3/LiF/Al were fabricated, which emitted blue light with luminance up to 498 cd/m (2). The device performance varied with the spacer length ( m), with P 1(4) giving the highest external quantum efficiency of 0.47%. The value was further enhanced to 0.86% by optimizing the layer thickness and inserting a hole-injection layer. PMID:18707168

  16. Chromophores from Photolyzed Ammonia Reacting with Acetylene: Application to Jupiter’s Great Red Spot

    Science.gov (United States)

    Carlson, Robert W.; Baines, K. H.; Anderson, M. S.; Filacchione, G.

    2012-10-01

    The production mechanisms of chromophores at Jupiter, and notably at the Great Red Spot (GRS), have been long-standing puzzles. A clue to the formation of the GRS coloring agent may be the great height of this storm, which can upwell ammonia to pressure levels of a few hundred mbar where solar photons capable of dissociating NH3 penetrate. Acetylene formed at higher altitudes can diffuse down and react with the NH3 photodissociation products, forming a deposit that absorbs in the ultraviolet and visible region (Ferris and Ishikawa, J. Amer. Chem. Soc. 110, 4306-4312, 1988). We have investigated the system NH3 + C2H2 + CH4 using a Zn lamp emitting at 214 nm to produce NH2 + H and subsequent reaction products. The deposits produced in these reactions were analyzed by optical and infrared spectroscopy and soft-ionization (He*) time-of-flight mass spectroscopy. The combination of NH3 + CH4 produced no visibly absorbing material, but NH3 + C2H2 and NH3 + C2H2 + CH4 mixtures both produced a yellow-orange film whose transmission spectra are similar to that of the GRS obtained by Cassini VIMS. Infrared spectra show a strong band at 2056 wavenumbers which may arise from nitrile (-CN), isonitrile (-NC), or diazide (-CNN) functional groups. The high-resolution mass spectra are consistent with compounds of the form CnH2n+1Nm, similar to the products formed in NH3 + CH4 spark discharges (Molton and Ponnamperuma, Icarus 21, 166-174, 1974). We thank NASA's Planetary Atmospheres Program for support.

  17. First attempt to monitor atmospheric glyoxal using differential absorption lidar

    Science.gov (United States)

    Mei, Liang; Lundin, Patrik; Somesfalean, Gabriel; Hu, Jiandong; Zhao, Guangyu; Svanberg, Sune; Bood, Joakim; Vrekoussis, Mihalis; Papayannis, Alexandros

    2012-11-01

    Glyoxal (CHOCHO), as an indicator of photochemical "hot spots", was for the first time the subject of a differential absorption lidar (DIAL) campaign. The strongest absorption line of glyoxal in the blue wavelength region - 455.1 nm - was chosen as the experimental absorption wavelength. In order to handle the effects of absorption cross-section variation of the interfering gas - nitrogen dioxide (NO2) - three-wavelength DIAL measurements simultaneously detecting glyoxal and NO2, were performed. The differential absorption curves, recorded in July 2012, indicate an extremely low glyoxal concentration in Lund, Sweden, although it is expected to be peaking at this time of the year.

  18. Contrasting phytoplankton community structure and associated light absorption characteristics of the western Bay of Bengal

    Science.gov (United States)

    Pandi, Sudarsana Rao; Kiran, Rayaprolu; Sarma, Nittala S.; Srikanth, A. S.; Sarma, V. V. S. S.; Krishna, M. S.; Bandyopadhyay, D.; Prasad, V. R.; Acharyya, T.; Reddy, K. G.

    2014-01-01

    Absorption spectra, particulate pigments, and hydrochemical constituents were measured in the western Bay of Bengal (BoB) during July-August 2010 when influence of river discharge is at peak. Chromophoric dissolved organic matter (CDOM) absorption coefficient (aCDOM(440)) displayed a significant inverse linear relationship with salinity in the surface waters implying conservative mixing of marine and terrestrial end members. The northern part of the study area is influenced by discharge from the river Ganga and a dominant terrestrial CDOM signal is seen. The southern part receives discharge from peninsular rivers with corresponding signals of higher CDOM than the linear model would indicate and higher UV-specific absorption coefficient (SUVA) indicating more aged and humified DOM. Lower contribution of CDOM to total non-water absorption and higher phytoplankton biomass (chlorophyll a absorption coefficient, aph(440)) but lower chlorophyll a specific phytoplankton absorption coefficient (a{ph/*}(440)) characterize the northern part, compared to the southern part. Chlorophyll b had a distinct linear relationship with chlorophyll a in the latter. The size index (SI) indicated dominance of microphytoplankton in the northern and nano and picophytoplankton in the southern parts. Chlorophyll a is significantly related to a{ph/*}(440) by an inverse power model in the northern part but by an inverse linear model in the southern part. Our study suggests that knowledge of the phytoplankton community structure is essential to improve chlorophyll a algorithm in the coastal Bay of Bengal.

  19. Aerosol Effects on the Estimation of the Carbon Dioxide Concentration From the Measurements of Solar Absorption Spectra at an Altitude of 800 Meters by Using the FTS (GOSAT-BBM) in SWIR Region

    Science.gov (United States)

    Yoshida, Y.; Tanaka, T.; Saito, R.; Oguma, H.; Morino, I.; Aoki, K.; Machida, T.; Yokota, T.

    2007-12-01

    The Greenhouse gases Observing SATellite (GOSAT) is scheduled to be launched in 2008 to observe tropospheric CO2 and CH4 from space. We developed a retrieval algorithm, which simultaneously estimates the CO2 column concentration and the surface albedo from a spectrum of surface scattered solar radiation at 1.6 μm region measured by Thermal And Near infrared Sensor for carbon Observation - Fourier Transform Spectrometer (TANSO-FTS) aboard GOSAT. To validate and improve the retrieval algorithm, a field experiment was conducted from 1st to 18th December, 2006 using a bread board model (BBM) of the FTS. The surface scattered solar spectra were measured by BBM, which was installed at the terminal station of the cable car near the summit of Mt. Tsukuba (at an altitude of about 800 m). In-situ CO2 censors (NDIR) and skyradiometers were set up at the surface target point and near the BBM for the continuous measurements. Also, CO2 profile was observed in-situ by Cessna aircraft near the surface up to altitude of 3km. Data obtained with no cloud condition were analyzed. The CO2 column concentrations (CCO2) were retrieved with the assumption of with and without the boundary layer aerosol. Optical properties of aerosol were estimated from the skyradiometer measurements. The difference between the CCO2 with and without aerosol had good correlation with the aerosol optical thickness at 1.6 μm, and -0.1 to 0.6 % change in the CCO2 occurred due to aerosol. Most of the CCO2 agreed with in-situ observation within 1.0 % but the maximum difference reached up to 3.0 %.

  20. Quasar Absorption Studies

    Science.gov (United States)

    Mushotzky, Richard (Technical Monitor); Elvis, Martin

    2004-01-01

    The aim of the proposal is to investigate the absorption properties of a sample of inter-mediate redshift quasars. The main goals of the project are: Measure the redshift and the column density of the X-ray absorbers; test the correlation between absorption and redshift suggested by ROSAT and ASCA data; constrain the absorber ionization status and metallicity; constrain the absorber dust content and composition through the comparison between the amount of X-ray absorption and optical dust extinction. Unanticipated low energy cut-offs where discovered in ROSAT spectra of quasars and confirmed by ASCA, BeppoSAX and Chandra. In most cases it was not possible to constrain adequately the redshift of the absorber from the X-ray data alone. Two possibilities remain open: a) absorption at the quasar redshift; and b) intervening absorption. The evidences in favour of intrinsic absorption are all indirect. Sensitive XMM observations can discriminate between these different scenarios. If the absorption is at the quasar redshift we can study whether the quasar environment evolves with the Cosmic time.

  1. Design of Optoelectric Detection Circuit for Difference Absorption Gas Sensor

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    Since the gas infrared absorption spectrum linewidth is only several nanometers occupying the source intensity of several in a thousand, it is even less than the noise of light source. The signal of gas absorption is submerged in the noise, so it is impossible to measure the concentration of gas with spectrum absorption directly. According to the principle and parameters of difference absorption system of CH4 gas, a detection circuit consisted of the lock-in amplifier is designed. The experiment results indicated that the detection circuit can satisfy the demand of the whole system, and the limit concentration is 150×10-6.

  2. A polarizable embedding DFT study of one-photon absorption in fluorescent proteins

    DEFF Research Database (Denmark)

    Beerepoot, Maarten; Steindal, Arnfinn H.; Kongsted, Jacob;

    2013-01-01

    A theoretical study of the one-photon absorption of five fluorescent proteins (FPs) is presented. The absorption properties are calculated using a polarizable embedding approach combined with density functional theory (PE-DFT) on the wild-type green fluorescent protein (wtGFP) and several of its...... shift from vacuum to protein. This is the first computational study of a range of fluorescent proteins using a polarizable embedding potential....... optimization of the chromophores within a frozen protein environment is needed in order to reproduce the experimental trends. Explicit account of polarization in the force field is not needed to yield the correct trend between the different FPs, but is necessary for reproducing the experimentally observed red...

  3. Water dimer absorption of visible light

    Directory of Open Access Journals (Sweden)

    J. Hargrove

    2007-07-01

    Full Text Available Laboratory measurements of water vapor absorption using cavity ring-down spectroscopy revealed a broad absorption at 405 nm with a quadratic dependence on water monomer concentration, a similar absorption with a linear component at 532 nm, and only linear absorption at 570 nm in the vicinity of water monomer peaks. D2O absorption is weaker and linear at 405 nm. Van't Hoff plots constructed at 405.26 nm suggest that for dimerization, Keq=0.056±0.02 atm−1, ΔH°301 K=−16.6±2 kJ mol−1 and ΔS°301 K=−80±10 J mol−1 K−1. This transition peaks at 409.5 nm, could be attributed to the 8th overtone of water dimer and the 532 nm absorption to the 6th overtone. It is possible that some lower overtones previously searched for are less enhanced. These absorptions could increase water vapor feed back calculations leading to higher global temperature projections with currently projected greenhouse gas levels or greater cooling from greenhouse gas reductions.

  4. N-Annulated perylene-substituted and fused porphyrin dimers with intense near-infrared one-photon and two-photon absorption

    KAUST Repository

    Luo, Jie

    2015-01-21

    Fusion of two N-annulated perylene (NP) units with a fused porphyrin dimer along the S0-S1 electronic transition moment axis has resulted in new near-infrared (NIR) dyes 1a/1b with very intense absorption (ε>1.3×105M-1cm-1) beyond 1250nm. Both compounds displayed moderate NIR fluorescence with fluorescence quantum yields of 4.4×10-6 and 6.0×10-6 for 1a and 1b, respectively. The NP-substituted porphyrin dimers 2a/2b have also been obtained by controlled oxidative coupling and cyclodehydrogenation, and they showed superimposed absorptions of the fused porphyrin dimer and the NP chromophore. The excited-state dynamics of all of these compounds have been studied by femtosecond transient absorption measurements, which revealed porphyrin dimer-like behaviour. These new chromophores also exhibited good nonlinear optical susceptibility with large two-photon absorption cross-sections in the NIR region due to extended π-conjugation. Time-dependent density functional theory calculations have been performed to aid our understanding of their electronic structures and absorption spectra.

  5. Zeeman atomic absorption spectrometry

    International Nuclear Information System (INIS)

    The design and development of a Zeeman atomic absorption spectrometer for trace element analysis are described. An instruction manual is included which details the operation, adjustment, and maintenance. Specifications and circuit diagrams are given

  6. 太阳光谱对高分辨吸收光谱反演大气CO2浓度影响的研究%Study on the Effect of Solar Spectra on the Retrieval of Atmospheric CO2 Concentration Using High Resolution Absorption Spectra

    Institute of Scientific and Technical Information of China (English)

    胡振华; 黄腾; 王颖萍; 丁蕾; 郑海洋; 方黎

    2011-01-01

    以太阳光为辐射源的近红外波段高分辨率吸收光谱广泛应用于大气参数遥测.以CO2浓度反演为例,研究了太阳光谱分辨率的影响.利用美国AER公司编制的太阳光谱计算程序得到大气上界的理论计算太阳光谱作为辐射源,结合自行编制的高分辨率大气透过率模拟软件HRATS对大气中CO2平均浓度进行模拟反演.数值模拟计算结果表明,太阳光谱的准确度对浓度反演非常重要,特别是在超分辨光谱反演中异常重要,虽然反演浓度的偏差与观测分辨率没有明显的线性变化规律,但有趋势:观测分辨率的降低对太阳光谱分辨率的要求也降低,为了精确反演大气中CO2浓度,因此需要充分利用大气层顶的高分辨太阳辐射光谱数据.%Taking solar source as radiation in the near-infrared high-resolution absorption spectrum is widely used in remote sensing of atmospheric parameters. The present paper will take retrieval of the concentration of CO2 for example, and study the effect of solar spectra resolution. Retrieving concentrations of CO2 by using high resolution absorption spectra, a method which uses the program provided by AER to calculate the solar spectra at the top of atmosphere as radiation and combine with the HRATS (high resolution atmospheric transmission simulation) to simulate retrieving concentration of CO2. Numerical simulation shows that the accuracy of solar spectrum is important to retrieval, especially in the hyper-resolution spectral retrieavl, and the error of retrieval concentration has poor linear relation with the resolution of observation, but there is a tendency that the decrease in the resolution requires low resolution of solar spectrum. In order to retrieve the concentration of CO2 of atmosphere, the authors' should take full advantage of high-resolution solar spectrum at the top of atmosphere

  7. Process analysis and economics of drinking water production from coastal aquifers containing chromophoric dissolved organic matter and bromide using nanofiltration and ozonation.

    Science.gov (United States)

    Sobhani, R; McVicker, R; Spangenberg, C; Rosso, D

    2012-01-01

    In regions characterized by water scarcity, such as coastal Southern California, groundwater containing chromophoric dissolved organic matter is a viable source of water supply. In the coastal aquifer of Orange County in California, seawater intrusion driven by coastal groundwater pumping increased the concentration of bromide in extracted groundwater from 0.4 mg l⁻¹ in 2000 to over 0.8 mg l⁻¹ in 2004. Bromide, a precursor to bromate formation is regulated by USEPA and the California Department of Health as a potential carcinogen and therefore must be reduced to a level below 10 μg l⁻¹. This paper compares two processes for treatment of highly coloured groundwater: nanofiltration and ozone injection coupled with biologically activated carbon. The requirement for bromate removal decreased the water production in the ozonation process to compensate for increased maintenance requirements, and required the adoption of catalytic carbon with associated increase in capital and operating costs per unit volume. However, due to the absence of oxidant addition in nanofiltration processes, this process is not affected by bromide. We performed a process analysis and a comparative economic analysis of capital and operating costs for both technologies. Our results show that for the case studied in coastal Southern California, nanofiltration has higher throughput and lower specific capital and operating cost, when compared to ozone injection with biologically activate carbon. Ozone injection with biologically activated carbon, compared to nanofiltration, has 14% higher capital cost and 12% higher operating costs per unit water produced while operating at the initial throughput. Due to reduced ozone concentration required to accommodate for bromate reduction, the ozonation process throughput is reduced and the actual cost increase (per unit water produced) is 68% higher for capital cost and 30% higher for operations. PMID:22054587

  8. One-pot synthesis and UV-Visible absorption studies of novel tricyclic heterocycle tethered Xanthene-1,8-diones

    Indian Academy of Sciences (India)

    Thirumal Yempala; Balasubramanian Sridhar; Srinivas Kantevari

    2015-05-01

    A series of new tricyclic heterocyclic xanthene-1,8-diones tethered with chromophoric dibenzo [ , ]furan, dibenzo[ , ]thiophene and 9-methyl-9-carbazoles were synthesized through one-pot condensation of dibenzo[ , ]furan-2-carbaldehyde, dibenzo[ , ] thiophene-2-carbaldehyde and 9-methyl-9-carbazole-3-carbaldehyde with cyclic 1,3-dicarbonyls in the presence of recyclable PPA-SiOM2 catalyst under solvent-free conditions. Further, UV-Visible absorption properties of all the synthesized compounds were investigated in CHCl3, THF and acetonitrile.

  9. Determination of Lead Content in Phosphate Rock and Concentrate Rock——Flame Atomic Absorption Spectrometric Method%火焰原子吸收光谱法测定磷矿石和精磷矿中的铅含量

    Institute of Scientific and Technical Information of China (English)

    沈治荣; 梁聪; 甘丽; 何红莲

    2011-01-01

    This article describes determination of trace harmful heavy metal-lead element in phosphate rock and concentrate rock with flame atomic absorption spectrometry method.The relative standard deviation of this method is 3.1~14.2%,recovery rate is 90%~104%,the sample detection limit is 0.0008%.The method is accurate,fast,easy,make up for method of determination lead in phosphate rock.It provides effective control method for production of feed additives and fertilizers and so on.%研究了用火焰原子吸收光谱法测定磷矿石或磷精矿中微量的铅的检测方法。此方法的相对标准偏差为3.1%-14.2%,回收率为90%-104%,样品检测下限为0.0008%。

  10. Competition between photodetachment and autodetachment of the 21ππ* state of the green fluorescent protein chromophore anion

    International Nuclear Information System (INIS)

    Using a combination of photoelectron spectroscopy measurements and quantum chemistry calculations, we have identified competing electron emission processes that contribute to the 350–315 nm photoelectron spectra of the deprotonated green fluorescent protein chromophore anion, p-hydroxybenzylidene-2,3-dimethylimidazolinone. As well as direct electron detachment from S0, we observe resonant excitation of the 21ππ* state of the anion followed by autodetachment. The experimental photoelectron spectra are found to be significantly broader than photoelectron spectrum calculated using the Franck-Condon method and we attribute this to rapid (∼10 fs) vibrational decoherence, or intramolecular vibrational energy redistribution, within the neutral radical

  11. Synthesis of Novel Cross-Linked Polyurethane Containing Modified Stilbene and Schiff Base Chromophores for Second-Order Nonlinear Optics

    Science.gov (United States)

    Ye, Mingxin; Xu, Lei; Ji, Liyong; Liu, Liying; Wang, Wencheng

    The cyano and nitro groups were chosen as acceptor groups, and the substituent amino or ether groups as donor groups to the matrix. Polyurethane (PU) was modified by glycerol to increase the content of chromophore and to improve the stability of the nonlinearity. Tg and Tm were raised and solubility, film-forming ability and other physical properties were improved. The average functional groups of the reactant can be adjusted to ≥ 2 with polygroups and monogroups mixture. These poled polymers show high second-order optical nonlinearity and would have potential application in frequency-doubling or electro-optical controlling devices.

  12. Competition between photodetachment and autodetachment of the {2^1π π ^*} state of the green fluorescent protein chromophore anion

    Science.gov (United States)

    Mooney, Ciarán R. S.; Parkes, Michael A.; Zhang, Lijuan; Hailes, Helen C.; Simperler, Alexandra; Bearpark, Michael J.; Fielding, Helen H.

    2014-05-01

    Using a combination of photoelectron spectroscopy measurements and quantum chemistry calculations, we have identified competing electron emission processes that contribute to the 350-315 nm photoelectron spectra of the deprotonated green fluorescent protein chromophore anion, p-hydroxybenzylidene-2,3-dimethylimidazolinone. As well as direct electron detachment from S0, we observe resonant excitation of the 21ππ* state of the anion followed by autodetachment. The experimental photoelectron spectra are found to be significantly broader than photoelectron spectrum calculated using the Franck-Condon method and we attribute this to rapid (˜10 fs) vibrational decoherence, or intramolecular vibrational energy redistribution, within the neutral radical.

  13. ZINDO-SOS Studies on Second-order Nonlinear Optical Properties of Thiophene S,S-Dioxide Chromophores

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The second-order nonlinear optical properties of thiophene S,S-dioxides derivatives were studied by using the ZINDO-SOS method. The computed results show that the thiophene S,S-dioxide derivatives exhibit larger second-order polarizabilities than their thiophene precursors. In order to clarify the origin of the different NLO responses among these chromophores, their electron properties and frontier orbital properties were investigated as well. These thiophene S,S-dioxides derivatives are good candidates for their application in electro-optical device due to their high nonlinearities, good thermal and photo stabilities.

  14. Design and photophysical properties of a new molecule with a N-B-N linked chromophore

    Science.gov (United States)

    Bakalova, Snezhana; Mendicuti, Francisco; Castaño, Obis; Kaneti, Jose

    2009-08-01

    A new heterocyclic system, pyrido[6,5-a]boratriazine, has been designed with the aid of TD DFT (TDA) and other quantum mechanical calculations aiming at tunable UV-Vis-Near IR absorption and intense fluorescence, conveniently sensitive to the environment. Special emphasis has been put on solvent effects on the mentioned electronic transition energies and intensities.

  15. Standard Practice for Evaluating Solar Absorptive Materials for Thermal Applications

    CERN Document Server

    American Society for Testing and Materials. Philadelphia

    2007-01-01

    1.1 This practice covers a testing methodology for evaluating absorptive materials used in flat plate or concentrating collectors, with concentrating ratios not to exceed five, for solar thermal applications. This practice is not intended to be used for the evaluation of absorptive surfaces that are (1) used in direct contact with, or suspended in, a heat-transfer liquid, (that is, trickle collectors, direct absorption fluids, etc.); (2) used in evacuated collectors; or (3) used in collectors without cover plate(s). 1.2 Test methods included in this practice are property measurement tests and aging tests. Property measurement tests provide for the determination of various properties of absorptive materials, for example, absorptance, emittance, and appearance. Aging tests provide for exposure of absorptive materials to environments that may induce changes in the properties of test specimens. Measuring properties before and after an aging test provides a means of determining the effect of the exposure. 1.3 Th...

  16. Effect of food on absorption of lomefloxacin.

    OpenAIRE

    Hooper, W. D.; Dickinson, R G; Eadie, M. J.

    1990-01-01

    Twelve subjects participated in an open-label, single-dose, balanced three-way crossover study in which the absorptions of lomefloxacin were compared following (i) an overnight fast, (ii) a carbohydrate meal, and (iii) a high-fat meal. The time to peak concentration of lomefloxacin was delayed, but peak concentration in plasma and amount of drug absorbed were unchanged following both meals.

  17. Seven-effect absorption refrigeration

    Science.gov (United States)

    DeVault, Robert C.; Biermann, Wendell J.

    1989-01-01

    A seven-effect absorption refrigeration cycle is disclosed utilizing three absorption circuits. In addition, a heat exchanger is used for heating the generator of the low absorption circuit with heat rejected from the condenser and absorber of the medium absorption circuit. A heat exchanger is also provided for heating the generator of the medium absorption circuit with heat rejected from the condenser and absorber of the high absorption circuit. If desired, another heat exchanger can also be provided for heating the evaporator of the high absorption circuit with rejected heat from either the condenser or absorber of the low absorption circuit.

  18. Concentration device

    DEFF Research Database (Denmark)

    2013-01-01

    A concentration device (2) for filter filtration concentration of particles (4) from a volume of a fluid (6). The concentration device (2) comprises a filter (8) configured to filter particles (4) of a predefined size in the volume of the fluid (6). The concentration device (2) comprises...

  19. The Experimental Research of R-Phycoerythrin and Its Chromophore Polypeptides in the Photodynamic Therapy of Cancer%R-藻红蛋白色基多肽对肿瘤细胞光动力杀伤作用的实验研究

    Institute of Scientific and Technical Information of China (English)

    黄蓓; 李振刚; 王广策; 刘基东; 孙海宝; 曾呈奎

    2001-01-01

    首次用胃酶降解及CM Sephedex C-50柱层析法获得了6种藻红蛋白的色基多 肽,并用藻红蛋白及其色基多肽对两种肿瘤细胞作体外激光疗法增敏作用实验.S180 小鼠腹水癌细胞株培养后分别用浓度为10、25、50、100μg/mL的藻红蛋白及其色基 多肽处理,经波长为488nm的氩离子激光辐照(照射剂量为28.8//cm2),用MTT法 检测,其细胞的生存率最佳效果分别可达45%及16%,显示出良好的剂量效应.在激 光处理藻红蛋白及其色基多肽对HL60人白血病细胞所做的细胞生长曲线图的比较 中可看出,色基多肽的激光增敏作用要优于藻红蛋白多聚体.%It is the first time that six kinds of Chromophore Polypeptides of R-Phycoerythrin (R-PE) were obtained from polysiphona urceolata by pepsin and CM-Sephedex C50 . In order to compare the differetiation between R-PE and its Chromophore Polypeptides, two kinds of tumor cell lines were used for an the experiment of photodynamic therapy (PDT) in vitro. S180 cell line was first treated with dif ferent concentrations of R-PE and its Chromophore Polypeptides , and then irradiated with Ar-iron laser ( 488nm, 28.8 J/cm2). The survival rate was measured by MIT method. Moreover, the growth rate of HL60 cells , which was treated with R-PE and its Chromophore Polypeptides. The results show that the PDT effect of Chromophore Polypeptides is better than R-PE.

  20. Concentrated Ownership

    DEFF Research Database (Denmark)

    Rose, Caspar

    2014-01-01

    This entry summarizes the main theoretical contributions and empirical findings in relation to concentrated ownership from a law and economics perspective. The various forms of concentrated ownership are described as well as analyzed from the perspective of the legal protection of investors......, especially minority shareholders. Concentrated ownership is associated with benefits and costs. Concentrated ownership may reduce agency costs by increased monitoring of top management. However, concentrated ownership may also provide dominating owners with private benefits of control....

  1. Vitamin A absorption

    International Nuclear Information System (INIS)

    Investigation of the absorption of vitamin A and related substances is complicated by the multiplicity of forms in which they occur in the diet and by the possibility that they may be subject to different mechanisms of absorption. Present knowledge of these mechanisms is inadequate, especially in the case of carotenoids. Numerous tests of absorption have been developed. The most common has been the biochemical measurement of the rise in plasma vitamin A after an oral dose of retinol or retinyl ester, but standardization is inadequate. Radioisotope tests based upon assay of serum or faecal activity following oral administration of tritiated vitamin A derivaties hold considerable promise, but again standardization is inadequate. From investigations hitherto performed it is known that absorption of vitamin A is influenced by several diseases, although as yet the consistency of results and the correlation with other tests of intestinal function have often been poor. However, the test of vitamin A absorption is nevertheless of clinical importance as a specialized measure of intestinal function. (author)

  2. Central cooling: absorptive chillers

    Energy Technology Data Exchange (ETDEWEB)

    Christian, J.E.

    1977-08-01

    This technology evaluation covers commercially available single-effect, lithium-bromide absorption chillers ranging in nominal cooling capacities of 3 to 1,660 tons and double-effect lithium-bromide chillers from 385 to 1,060 tons. The nominal COP measured at operating conditions of 12 psig input steam for the single-effect machine, 85/sup 0/ entering condenser water, and 44/sup 0/F exiting chilled-water, ranges from 0.6 to 0.65. The nominal COP for the double-effect machine varies from 1.0 to 1.15 with 144 psig entering steam. Data are provided to estimate absorption-chiller performance at off-nominal operating conditions. The part-load performance curves along with cost estimating functions help the system design engineer select absorption equipment for a particular application based on life-cycle costs. Several suggestions are offered which may be useful for interfacing an absorption chiller with the remaining Integrated Community Energy System. The ammonia-water absorption chillers are not considered to be readily available technology for ICES application; therefore, performance and cost data on them are not included in this evaluation.

  3. Random Conjugated Copolymers with Panchromatic Absorption for High-Efficiency Polymer Solar Cells

    Science.gov (United States)

    Jung, Jae Woong; Jo, Won Ho

    2013-03-01

    One of the most important issues for polymer solar cells (PSCs) is to develop conjugated polymers with broad light absorption, high mobility and appropriate orientation to provide effective pathways to electrode. Particularly, the broad light absorption of the polymer is important to enhance the power conversion efficiency because the limited absorption leads to low current in comparison with other inorganic-based solar cells. A fascinating approach to extend light absorption is the synthesis of copolymers composed of several chromophores. Among various building blocks, diketopyrrolo[3,4-c]pyrrole (DPP) and 6,6'-[3,3']biindolylidene-2,2'-dione (isoindigo) have attracted much interest since they are easily accessible and exhibit promising optoelectronic properties. Here, we report random conjugated copolymers consisting of DPP and isoindigo as co-electron acceptor of donor-acceptor conjugated polymer. The random copolymers exhibited not only broad light absorption but also low-lying HOMO levels. Also, the predominant face-on orientation of the copolymers is beneficial for vertical charge transport in PSCs. The combination of excellent optoelectrical properties and favorable molecular conformation makes copolymers promising candidate for active material in high performance PSCs.

  4. Fluorescence from Multiple Chromophore Hydrogen-Bonding States in the Far-Red Protein TagRFP675.

    Science.gov (United States)

    Konold, Patrick E; Yoon, Eunjin; Lee, Junghwa; Allen, Samantha L; Chapagain, Prem P; Gerstman, Bernard S; Regmi, Chola K; Piatkevich, Kiryl D; Verkhusha, Vladislav V; Joo, Taiha; Jimenez, Ralph

    2016-08-01

    Far-red fluorescent proteins are critical for in vivo imaging applications, but the relative importance of structure versus dynamics in generating large Stokes-shifted emission is unclear. The unusually red-shifted emission of TagRFP675, a derivative of mKate, has been attributed to the multiple hydrogen bonds with the chromophore N-acylimine carbonyl. We characterized TagRFP675 and point mutants designed to perturb these hydrogen bonds with spectrally resolved transient grating and time-resolved fluorescence (TRF) spectroscopies supported by molecular dynamics simulations. TRF results for TagRFP675 and the mKate/M41Q variant show picosecond time scale red-shifts followed by nanosecond time blue-shifts. Global analysis of the TRF spectra reveals spectrally distinct emitting states that do not interconvert during the S1 lifetime. These dynamics originate from photoexcitation of a mixed ground-state population of acylimine hydrogen bond conformers. Strategically tuning the chromophore environment in TagRFP675 might stabilize the most red-shifted conformation and result in a variant with a larger Stokes shift. PMID:27447848

  5. Synthesis, characterization and DFT study of methoxybenzylidene containing chromophores for DSSC materials

    KAUST Repository

    Al-Sehemi, Abdullah G.

    2012-06-01

    Novel tricyanovinyl derived from hydrazones have been prepared by the reaction of tetracyanoethylene and phenylethylidene hydrazone, and these dyes showed absorption in the region of 539-650 nm. The dyes showed pronounced solvatochromic effects as the polarity of the solvents changed. The torsion in E isomer is smaller than Z and azo isomers of MBD1 and MBD2. The HOMOs are delocalized on whole of the molecule while LUMOs are distributed on the tricarbonitrile. The LUMO energies are above the conduction band of TiO 2 and HOMOs of the dyes are below the redox couple of MBD1 and MBD2. The HOMO energies, LUMO energies and HOMO-LUMO energy gap of MBD1 and MBD2 are almost same. The absorption spectra of both the dyes in different solvents are approximately same except in cyclohexane. © 2012 Elsevier B.V. All rights reserved.

  6. Percutaneous absorption from soil.

    Science.gov (United States)

    Andersen, Rosa Marie; Coman, Garrett; Blickenstaff, Nicholas R; Maibach, Howard I

    2014-01-01

    Abstract Some natural sites, as a result of contaminants emitted into the air and subsequently deposited in soil or accidental industrial release, have high levels of organic and non-organic chemicals in soil. In occupational and recreation settings, these could be potential sources of percutaneous exposure to humans. When investigating percutaneous absorption from soil - in vitro or vivo - soil load, particle size, layering, soil "age" time, along with the methods of performing the experiment and analyzing the results must be taken into consideration. Skin absorption from soil is generally reduced compared with uptake from water/acetone. However, the absorption of some compounds, e.g., pentachlorophenol, chlorodane and PCB 1254, are similar. Lipophilic compounds like dichlorodiphenyltrichloroethane, benzo[A]pyrene, and metals have the tendency to form reservoirs in skin. Thus, one should take caution in interpreting results directly from in vitro studies for risk assessment; in vivo validations are often required for the most relevant risk assessment. PMID:25205703

  7. Carbon Dioxide Absorption in a Membrane Contactor with Color Change

    Science.gov (United States)

    Pantaleao, Ines; Portugal, Ana F.; Mendes, Adelio; Gabriel, Joaquim

    2010-01-01

    A pedagogical experiment is described to examine the physical absorption of gases, in this case carbon dioxide, in a hollow fiber membrane contactor (HFMC) where the absorption concentration profile can be followed by a color change. The HFMC is used to teach important concepts and can be used in interesting applications for students, such as…

  8. Ruthenium(II) dendrimers containing carbazole-based chromophores as branches

    OpenAIRE

    McClenaghan, ND; Passalacqua, R; Loiseau, F; Campagna, S; Verheyde, B; Hameurlaine, Ahmed; Dehaen, Wim

    2003-01-01

    Three new luminescent and redox-active Ru(II) complexes containing novel dendritic polypyridine ligands have been synthesized, and their absorption spectra, luminescence properties (both at room temperature in fluid solution and at 77 K in rigid matrix), and redox behavior have been investigated. The dendritic ligands are made of 1,10-phenanthroline coordinating subunits and of carbazole groups as branching sites, The first and second generation species of this novel class of dendritic ligand...

  9. Structure of the red fluorescent protein from a lancelet (Branchiostoma lanceolatum): a novel GYG chromophore covalently bound to a nearby tyrosine

    International Nuclear Information System (INIS)

    The crystal structure of the novel red emitting fluorescent protein from lancelet Branchiostoma lanceolatum (Chordata) revealed an unusual five residues cyclic unit comprising Gly58-Tyr59-Gly60 chromophore, the following Phe61 and Tyr62 covalently bound to chromophore Tyr59. A key property of proteins of the green fluorescent protein (GFP) family is their ability to form a chromophore group by post-translational modifications of internal amino acids, e.g. Ser65-Tyr66-Gly67 in GFP from the jellyfish Aequorea victoria (Cnidaria). Numerous structural studies have demonstrated that the green GFP-like chromophore represents the ‘core’ structure, which can be extended in red-shifted proteins owing to modifications of the protein backbone at the first chromophore-forming position. Here, the three-dimensional structures of green laGFP (λex/λem = 502/511 nm) and red laRFP (λex/λem ≃ 521/592 nm), which are fluorescent proteins (FPs) from the lancelet Branchiostoma lanceolatum (Chordata), were determined together with the structure of a red variant laRFP-ΔS83 (deletion of Ser83) with improved folding. Lancelet FPs are evolutionarily distant and share only ∼20% sequence identity with cnidarian FPs, which have been extensively characterized and widely used as genetically encoded probes. The structure of red-emitting laRFP revealed three exceptional features that have not been observed in wild-type fluorescent proteins from Cnidaria reported to date: (i) an unusual chromophore-forming sequence Gly58-Tyr59-Gly60, (ii) the presence of Gln211 at the position of the conserved catalytic Glu (Glu222 in Aequorea GFP), which proved to be crucial for chromophore formation, and (iii) the absence of modifications typical of known red chromophores and the presence of an extremely unusual covalent bond between the Tyr59 Cβ atom and the hydroxyl of the proximal Tyr62. The impact of this covalent bond on the red emission and the large Stokes shift (∼70 nm) of laRFP was verified

  10. Structure of the red fluorescent protein from a lancelet (Branchiostoma lanceolatum): a novel GYG chromophore covalently bound to a nearby tyrosine

    Energy Technology Data Exchange (ETDEWEB)

    Pletnev, Vladimir Z., E-mail: vzpletnev@gmail.com; Pletneva, Nadya V.; Lukyanov, Konstantin A.; Souslova, Ekaterina A.; Fradkov, Arkady F.; Chudakov, Dmitry M.; Chepurnykh, Tatyana; Yampolsky, Ilia V. [Russian Academy of Sciences, Moscow (Russian Federation); Wlodawer, Alexander [National Cancer Institute, Frederick, MD 21702 (United States); Dauter, Zbigniew [National Cancer Institute, Argonne, IL 60439 (United States); Pletnev, Sergei, E-mail: vzpletnev@gmail.com [National Cancer Institute, Argonne, IL 60439 (United States); SAIC-Frederick, Argonne, IL 60439 (United States); Russian Academy of Sciences, Moscow (Russian Federation)

    2013-09-01

    The crystal structure of the novel red emitting fluorescent protein from lancelet Branchiostoma lanceolatum (Chordata) revealed an unusual five residues cyclic unit comprising Gly58-Tyr59-Gly60 chromophore, the following Phe61 and Tyr62 covalently bound to chromophore Tyr59. A key property of proteins of the green fluorescent protein (GFP) family is their ability to form a chromophore group by post-translational modifications of internal amino acids, e.g. Ser65-Tyr66-Gly67 in GFP from the jellyfish Aequorea victoria (Cnidaria). Numerous structural studies have demonstrated that the green GFP-like chromophore represents the ‘core’ structure, which can be extended in red-shifted proteins owing to modifications of the protein backbone at the first chromophore-forming position. Here, the three-dimensional structures of green laGFP (λ{sub ex}/λ{sub em} = 502/511 nm) and red laRFP (λ{sub ex}/λ{sub em} ≃ 521/592 nm), which are fluorescent proteins (FPs) from the lancelet Branchiostoma lanceolatum (Chordata), were determined together with the structure of a red variant laRFP-ΔS83 (deletion of Ser83) with improved folding. Lancelet FPs are evolutionarily distant and share only ∼20% sequence identity with cnidarian FPs, which have been extensively characterized and widely used as genetically encoded probes. The structure of red-emitting laRFP revealed three exceptional features that have not been observed in wild-type fluorescent proteins from Cnidaria reported to date: (i) an unusual chromophore-forming sequence Gly58-Tyr59-Gly60, (ii) the presence of Gln211 at the position of the conserved catalytic Glu (Glu222 in Aequorea GFP), which proved to be crucial for chromophore formation, and (iii) the absence of modifications typical of known red chromophores and the presence of an extremely unusual covalent bond between the Tyr59 C{sup β} atom and the hydroxyl of the proximal Tyr62. The impact of this covalent bond on the red emission and the large Stokes shift (

  11. Revisiting Absorptive Capacity

    DEFF Research Database (Denmark)

    de Araújo, Ana Luiza Lara; Ulhøi, John Parm; Lettl, Christopher

    Absorptive capacity has mostly been perceived as a 'passive' outcome of R&D investments. Recently, however, a growing interest into its 'proactive' potentials has emerged. This paper taps into this development and proposes a dynamic model for conceptualizing the determinants of the complementary...... learning processes of absorptive capacity, which comprise combinative and adaptive capabilities. Drawing on survey data (n=169), the study concludes that combinative capabilities primarily enhance transformative and exploratory learning processes, while adaptive capabilities strengthen all three learning...... processes, with emphasis on exploitative learning. Before concluding, the paper addresses implications for theory and practice and limitations of this study....

  12. Intestinal absorption of biotin in the rat

    International Nuclear Information System (INIS)

    We examined the absorption of biotin using the in vivo intestinal loop technique. Jejunal segments from male rats were filled with solutions containing [3H]biotin and [14C]inulin in Krebs-Ringer phosphate buffer, pH 6.5. Absorption was determined on the basis of luminal tritium disappearance after correction for inulin recovery. At biotin concentrations of 0.1 and 5.0 microM, luminal biotin disappearance was linear for at least 10 min. At biotin concentrations ranging from 2.3 nM to 75 microM, 10-28% of the administered dose was absorbed in 10 min. The concentration dependence of luminal biotin disappearance is consistent with the presence of both saturable and nonsaturable (linear) components of biotin uptake, with estimated Km = 9.6 microM and Jmax = 75.2 pmol/(2.5 cm loop X min). The rate constant for nonsaturable uptake is 3.1 pmol/(2.5 cm loop X min X microM). We conclude that at biotin concentrations less than 5 microM, biotin absorption proceeds largely by the saturable process, whereas at concentrations above 25 microM, nonsaturable uptake predominates. Additional studies demonstrated significantly less biotin uptake in the ileum than in the jejunum, a finding in agreement with previous in vitro studies

  13. Chromophore/DNA interactions: femto- to nanosecond spectroscopy, NMR structure, and electron transfer theory.

    Science.gov (United States)

    von Feilitzsch, Till; Tuma, Jennifer; Neubauer, Heike; Verdier, Laurent; Haselsberger, Reinhard; Feick, Reiner; Gurzadyan, Gagik; Voityuk, Alexander A; Griesinger, Christian; Michel-Beyerle, Maria E

    2008-01-24

    The mechanism of photoinduced hole injection into DNA has been studied using an integrated approach that combines NMR structural analysis, time-resolved spectroscopy, and quantum-chemical calculations. A covalently linked acridinium derivative, the protonated 9-amino-6-chloro-2-methoxyacridine (X+), is replacing a thymine and separated from either guanine (G) or the easier to oxidize 7-deazaguanine (Z) by one adenine.thymine (A.T) base pair. The key features of this donor/acceptor system are the following: (i) In more than 95% of the duplexes, X+ is located in a central, coplanar position between the neighboring A.T base pairs with its long axis in parallel showing minimal twist and tilt angles (10 ns gives rise to a small background signal in time-resolved measurements and contributes predominantly to steady-state fluorescence spectra. (ii) Although the intercalation mode of X+ is well defined, the NMR structure reveals that there are two conformations of X+ with respect to the arrangement of its methoxy substituent. In one conformation, the methoxy group is in the plane of the chromophore, while, in the other extraplanar conformation, the methoxy group forms an angle of 70 degrees with the acridinium ring. The fluorescence decay of 5'-ZAX and 5'-GAX tracts can be fitted to a biexponential function with similar amplitudes, reflecting the oxidation dynamics of G and Z, with the slower rate being determined by larger thermal activation energy. The attribution of biexponential electron transfer (ET) dynamics to the bimodal orientation of the methoxy group at the acridinium is supported by quantum-chemical calculations. These predict a larger free energy change for hole transfer in the nonplanar conformation as compared to the planar one, whereas the difference in the electronic couplings is negligible. (iii) Kinetic studies of the directionality of the 1(X+)* induced hole injection reveal similarly fast decay components in both directions of the duplex, that is, in 5

  14. Absorption Spectra of Astaxanthin Aggregates

    OpenAIRE

    Olsina, Jan; Durchan, Milan; Minofar, Babak; Polivka, Tomas; Mancal, Tomas

    2012-01-01

    Carotenoids in hydrated polar solvents form aggregates characterized by dramatic changes in their absorption spectra with respect to monomers. Here we analyze absorption spectra of aggregates of the carotenoid astaxanthin in hydrated dimethylsulfoxide. Depending on water content, two types of aggregates were produced: H-aggregates with absorption maximum around 390 nm, and J-aggregates with red-shifted absorption band peaking at wavelengths >550 nm. The large shifts with respect to absorption...

  15. Two-Phonon Absorption

    Science.gov (United States)

    Hamilton, M. W.

    2007-01-01

    A nonlinear aspect of the acousto-optic interaction that is analogous to multi-photon absorption is discussed. An experiment is described in which the second-order acousto-optically scattered intensity is measured and found to scale with the square of the acoustic intensity. This experiment using a commercially available acousto-optic modulator is…

  16. Chemical Absorption Materials

    DEFF Research Database (Denmark)

    Thomsen, Kaj

    2011-01-01

    Chemical absorption materials that potentially can be used for post combustion carbon dioxide capture are discussed. They fall into five groups, alkanolamines, alkali carbonates, ammonia, amino acid salts, and ionic liquids. The chemistry of the materials is discussed and advantages and drawbacks...... are mentioned. References to review papers, papers with experimental data, and papers describing the thermodynamic modelling of the systems are given....

  17. Chemical Absorption Materials

    DEFF Research Database (Denmark)

    Thomsen, Kaj

    2011-01-01

    Chemical absorption materials that potentially can be used for post combustion carbon dioxide capture are discussed. They fall into five groups, alkanolamines, alkali carbonates, ammonia, amino acid salts, and ionic liquids. The chemistry of the materials is discussed and advantages and drawbacks...

  18. ZINC ABSORPTION BY INFANTS

    Science.gov (United States)

    Zinc is a vital mineral in human nutrition, and rare cases of overt zinc deficiency are well described in term and preterm infants. A variety of methods have been developed to assess zinc absorption, retention, and balance in humans, either using mass (metabolic) balance or stable isotope-based METH...

  19. Absorption driven focus shift

    Science.gov (United States)

    Harrop, N.; Wolf, S.; Maerten, O.; Dudek, K.; Ballach, S.; Kramer, R.

    2016-03-01

    Modern high brilliance near infrared lasers have seen a tremendous growth in applications throughout the world. Increased productivity has been achieved by higher laser power and increased brilliance of lasers. Positive impacts on the performance and costs of parts are opposed to threats on process stability and quality, namely shift of focus position over time. A high initial process quality will be reduced by contamination of optics, eventually leading to a focus shift or even destruction of the optics. Focus analysis at full power of multi-kilowatt high brilliance lasers is a very demanding task because of high power densities in the spot and the high power load on optical elements. With the newly developed high power projection optics, the High-Power Micro-Spot Monitor High Brilliance (HP-MSM-HB) is able to measure focus diameter as low as 20 μm at power levels up to 10 kW at very low internal focus shift. A main driving factor behind thermally induced focus shift is the absorption level of the optical element. A newly developed measuring system is designed to determine the relative absorption level in reference to a gold standard. Test results presented show a direct correlation between absorption levels and focus shift. The ability to determine the absorption level of optical elements as well as their performance at full processing power before they are put to use, enables a high level of quality assurance for optics manufacturers and processing head manufacturers alike.

  20. Concentrator Photovoltaics

    CERN Document Server

    Luque, Antonio L

    2007-01-01

    Photovoltaic solar-energy conversion is one of the most promising technologies for generating renewable energy, and conversion of concentrated sunlight can lead to reduced cost for solar electricity. In fact, photovoltaic conversion of concentrated sunlight insures an efficient and cost-effective sustainable power resource. This book gives an overview of all components, e.g. cells, concentrators, modules and systems, for systems of concentrator photovoltaics. The authors report on significant results related to design, technology, and applications, and also cover the fundamental physics and market considerations. Specific contributions include: theory and practice of sunlight concentrators; an overview of concentrator PV activities; a description of concentrator solar cells; design and technology of modules and systems; manufacturing aspects; and a market study.

  1. Under light limiting growth, CpcB lyase null mutants of the Cyanobacterium Synechococcus sp. PCC 7002 are capable of producing pigmented beta phycocyanin but with altered chromophore function.

    Science.gov (United States)

    Derks, Allen K; Vasiliev, Serguei; Bruce, Doug

    2008-11-11

    Phycobilisomes are the major light-harvesting complexes for cyanobacteria, and phycocyanin is the primary phycobiliprotein of the phycobilisome rod. Phycocyanobilin chromophores are covalently bonded to the phycocyanin beta subunit (CpcB) by specific lyases which have been recently identified in the cyanobacterium Synechococcus sp. PCC 7002. Surprisingly, we found that mutants missing the CpcB lyases were nevertheless capable of producing pigmented phycocyanin when grown under low-light conditions. Absorbance measurements at 10 K revealed the energy states of the beta phycocyanin chromophores to be slightly shifted, and 77 K steady state fluorescence emission spectroscopy showed that excitation energy transfer involving the targeted chromophores was disrupted. This evidence indicates that the position of the phycocyanobilin chromophore within the binding domain of the phycocyanin beta subunit had been modified. We hypothesize that alternate, less specific lyases are able to add chromophores, with varying effectiveness, to the beta binding sites. PMID:18925744

  2. Influence of surplus negative charge on absorption and fluorescence excitation spectra of asymmetric polymethine dyes

    International Nuclear Information System (INIS)

    The combined spectral and quantum-chemical investigations of the vinylog series of the asymmetric anionic polymethine dyes, derivatives of aminocoumarin, as well as the related symmetric dyes, are fulfilled. The charge injection to these types of dyes leads to the essential shifts of electronic levels. The calculations show the inverse character of the first two electron transitions in anionic polymethines and relative cationic polymethines. It is established that going to asymmetric dyes leads to a slight decrease of the spectral effect of the chromophore lengthening. The influence of the asymmetry manifests itself in a positive deviation in the absorption spectra and a negative deviation of the second electron transition manifested visually in the anisotropy of the fluorescence excitation spectra of asymmetric dyes. It is found that the lengthening of the chromophore is accompanied by an increase of the deviation of the first electron transition and, in contrast, by a decrease of the deviation of the second transition. The obtained results may be used in the design of molecular systems with prognosed current-voltage characteristics for nanoelectronics

  3. Selective gas absorption by ionic liquids

    DEFF Research Database (Denmark)

    Shunmugavel, Saravanamurugan; Kegnæs, Søren; Due-Hansen, Johannes;

    2010-01-01

    Reversible absorption performance for the flue gas components CO 2, NO and SO2 has been tested for several different ionic liquids (ILs) at different temperatures and flue gas compositions. Furthermore, different porous, high surface area carriers have been applied as supports for the ionic liquids...... to obtain Supported Ionic Liquid-Phase (SILP) absorber materials. The use of solid SILP absorbers with selected ILs were found to significantly improve the absorption capacity and sorption dynamics at low flue gas concentration, thus making the applicability of ILs viable in technical, continuous flow...... processes for flue gas cleaning. The results show that CO 2, NO and SO2 can be reversible and selective absorbed using different ILs and that Supported Ionic Liquid-Phase (SILP) absorbers are promising materials for industrial flue gas cleaning. Absorption/desorption dynamics can be tuned by temperatures...

  4. Ultraschall-Geschwindigkeit und-Absorption in Bi-In-Schmelzen /Ultrasonic Velocity and Absorption in Bi-In-melts

    Science.gov (United States)

    Bek, R.; Steeb, S.

    1981-02-01

    Using the pulse-echo method the ultrasonic velocity and absorption was measured with Bi-In-melts in the temperature range from liquidus up to more than 600 °C. The frequencies used reached from 10 MHz up to 130 MHz. Within the experimental accuracy no frequency dependence of the absorption coefficient α/f2 could be detected. An excess absorption can be observed, which for the molten elements can be explained by fluctuations of the packing density. For the molten alloys additionally concentration fluctuations play an important role. Thus an understanding of the temperature dependency of the ultrasonic velocity and absorption can be achieved.

  5. [Study of retrieving formaldehyde with differential optical absorption spectroscopy].

    Science.gov (United States)

    Li, Yu-Jin; Xie, Pin-Hua; Qin, Min; Qu, Xiao-Ying; Hu, Lin

    2009-01-01

    The present paper introduces the method of retrieving the concentration of HCHO with differential optical absorption spectroscopy (DOAS). The authors measured ambient HCHO in Beijing region with the help of differential optical absorption spectroscopy instrument made by ourself, and discussed numerous factors in retrieving the concentration of HCHO with differential optical absorption spectroscopy (DOAS), especially, the choice of HCHO wave band, how to avoid absorption of ambient SO2, NO2 and O3, and the influence of the Xenon lamp spectrum structure on the absorption of ambient HCHO. The authors achieved the HCHO concentration by simultaneously retrieving the concentrations of HCHO, SO2, NO2 and O3 with non-linear least square fitting method, avoiding the effect of choosing narrow wave of HCHO and the residual of SO2, NO2, O3 and the Xenon lamp spectrum structure in retrieving process to attain the concentration of HCHO, Finally the authors analyzed the origin of error in retrieving the concentration of HCHO with differential optical absorption spectroscopy (DOAS), and the total error is within 13.7% in this method. PMID:19385238

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

    Science.gov (United States)

    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. Design and synthesis of piezochromic materials based on push-pull chromophores: a mechanistic perspective.

    Science.gov (United States)

    Chen, Fengkun; Zhang, Jie; Wan, Xinhua

    2012-04-10

    Computational analysis predicts that intramolecular charge transfer (ICT) exists in anthraquinone imide (AQI) derivatives with electron-donating substituents at the 6-position, such as 4-methoxylphenyl, 4-N,N-dimethylaminophenyl, and thiophene. However, for those with electron-withdrawing ones, no clear ICT interaction could be observed. We predicted, on the basis of the simulation results, that AQI derivatives with electron-donating substituents would be piezochromic. To verify this hypothesis, the corresponding AQI derivatives with various substituents were synthesized. Absorption spectra recorded with a diffuse reflectance method on powders revealed that 4-methoxylphenyl-, 4-N,N-dimethylaminophenyl-, and thiophene-substituted AQI exhibited piezochromism, but not 4-nitrophenyl-substituted AQI, which is in good agreement with the simulation results. Interestingly, redshifts of both the lower and higher energy absorption bands were observed along with redshifts of the emission spectra. However, XRD patterns before and after being pressed presented no significant changes, which was different from known piezochromic molecules described in the literature. An unprecedented mechanism in which enhanced ICT from better conjugation between the donor and acceptor segments induced by the decrease of θ under pressure could be responsible for the piezochromism of aryl-substituted AQIs is proposed. PMID:22392842

  8. Metal-Chelating N,N '-Bis(4-dimethylaminophenyl)acetamidinyl Radical: A New Chromophore for the Near-Infrared Region

    Czech Academy of Sciences Publication Activity Database

    Ehret, F.; Bubrin, D.; Záliš, Stanislav; Kaim, W.

    2015-01-01

    Roč. 21, č. 35 (2015), s. 12275-12278. ISSN 1521-3765 R&D Projects: GA MŠk LD14129 Grant ostatní: COST(XE) CM1202 Institutional support: RVO:61388955 Keywords : amidinyl * chromophores * near infrared Subject RIV: CF - Physical ; Theoretical Chemistry

  9. Structural exploration and Förster theory modeling for the interpretation of gas-phase FRET measurements: Chromophore-grafted amyloid-β peptides

    Science.gov (United States)

    Kulesza, Alexander; Daly, Steven; MacAleese, Luke; Antoine, Rodolphe; Dugourd, Philippe

    2015-07-01

    The distance-dependence of excitation energy transfer, e.g., being described by Förster theory (Förster resonance energy transfer (FRET)), allows the use of optical techniques for the direct observation of structural properties. Recently, this technique has been successfully applied in the gas phase. The detailed interpretation of the experimental FRET results, however, relies on the comparison with structural modeling. We therefore present a complete first-principles modeling approach that explores the gas-phase structure of chromophore-grafted peptides and achieves accurate predictions of FRET efficiencies. We apply the approach to amyloid-β 12-28 fragments, known to be involved in amyloid plaque formation connected to Alzheimer's disease. We sample structures of the peptides that are grafted with 5-carboxyrhodamine 575 (Rh575) and QSY-7 chromophores by means of replica-exchange molecular dynamics simulations upon an Amber-type forcefield parametrization as a function of the charge state. The generated ensembles provide chromophore-distance and -orientation distributions which are used with the spectral parameters of the Rh575/QSY-7 chromophores to model FRET-efficiencies for the systems. The theoretical values agree with the experimental average "action"-FRET efficiencies and motivate to use the herein reported parametrization, sampling, and FRET-modeling technique in future studies on the structural properties and aggregation-behavior of related systems.

  10. Evidences of long lived cages in functionalized polymers: Effects on chromophore dynamic and spectroscopic properties

    Science.gov (United States)

    Prampolini, Giacomo; Monti, Susanna; De Mitri, Nicola; Barone, Vincenzo

    2014-05-01

    correlation never vanishes, at least in the first 3 ns.From a different point of view, it can be inferred that the limited number of possible orientations of the molecule inside the cage is strongly related to the flexibility of the cage itself. Correlation between the constrained dynamics of the dye and the formation of hindering cages was investigated by computing the probability that a neighboring unit (either a toluene molecule or a methylene group of the polymer) remains within the first shell after a definite time. Comparison between the two embeddings reveals that a complete renewal of the original first neighbor shell takes place within few hundreds of ps in toluene solution, whereas the probability of remaining within the polymer cage never completely decays during the first 3 ns. Even more interestingly, the residence function in the polymer exhibits a plateau in a time interval very close to the one found for the translational and re-orientational motion of the dye.The hypothesis that the long lived cage found around the chromophore and sketched in Figure 4 is effectively responsible for the difference in the experimental broadening [23], UV/visible spectra were simulated by averaging the vertical optical transitions computed at TD-DFT level on different sets of snapshots, extracted from MD-NPT trajectories performed on the dye in its EES, in toluene solution [13] and in the polymer matrix [27]. The resulting emission spectra are shown in Figure 5. In the top panel the experimental [23] spectra are displayed, recorded in toluene solution 1.4·10-5 M (green) and in polymer film (orange). It may be worth mentioning that the polymer degree of crystallinity in such conditions is very low (∼5%). [31,32] It is evident that notwithstanding the different environment, the maximum emission wavelengths are not remarkably shifted, being 360 and 365 nm, respectively. On the contrary, as observed by Passaglia and coworkers [23], a major difference appears in the line shape of

  11. Uranium GI absorption coefficients for young children

    International Nuclear Information System (INIS)

    Uranium is ubiquitously found in drinking water and food. The absorption fraction (f1) is an important parameter in risk assessment of uranium burdens from ingestion. Although absorption of uranium from the gastrointestinal tract (GI) has been studied extensively in both animals and humans in the past, human data among young children are rare. In a previous study based on measurements of uranium concentration in only 11 bone-ash samples collected by Health Canada, the GI absorption coefficient for uranium ingestion by infants, about 3 months of age were determined. The result was 0.256 which was much higher than the ICRP recommended f1 values of 0.04 for infants and 0.02 for anyone more than 1 year of age. To extend the study, a total of 73 bone-ash samples were selected for children ranging in age from 0 to 7 years. The estimated absorption coefficients were 0.093±0.113 for infants, and 0.050±0.032 for 1 - 7 years of age. This study provides human absorption coefficients of ingested uranium for young children of two age groups. (author)

  12. Boric acid concentration monitoring

    International Nuclear Information System (INIS)

    Boric acid concentration was measured by thermal neutron absorption in the study of the boric acid sorption and desorption curves on an anion exchange resin. Ra-Be 18.5 GBq and Am-Be 111 GBq sources and water as a moderator were used. The SNM 12 cylindrical corona detector with 10B placed in the middle of the measuring cell was used for neutron flux measurement. The HP 9600 E computer system was used for measured data collection and evaluation. (Ha)

  13. Quantum absorption refrigerator.

    Science.gov (United States)

    Levy, Amikam; Kosloff, Ronnie

    2012-02-17

    A quantum absorption refrigerator driven by noise is studied with the purpose of determining the limitations of cooling to absolute zero. The model consists of a working medium coupled simultaneously to hot, cold, and noise baths. Explicit expressions for the cooling power are obtained for Gaussian and Poisson white noise. The quantum model is consistent with the first and second laws of thermodynamics. The third law is quantified; the cooling power J(c) vanishes as J(c) ∝ T(c)(α), when T(c)→0, where α=d+1 for dissipation by emission and absorption of quanta described by a linear coupling to a thermal bosonic field, where d is the dimension of the bath. PMID:22401189

  14. Absorptive Capacity and Diversity

    DEFF Research Database (Denmark)

    Kristinsson, Kári

    One of the most influential contributions to neo-Schumpeterian economics is Cohen and Levinthal‘s papers on absorptive capacity. Since their publication in the late 1980s and early 1990s the concept absorptive capacity has had substantial impact on research in economics and management, including...... international business, organizational economics, strategic management, technology management and last but not least neo-Schumpeterian economics. The goal of this dissertation is to examine what many consider as neglected arguments from the work by Cohen and Levinthal and thereby illuminate an otherwise...... overlooked area of research. Although research based on Cohen and Levinthal‘s work has made considerable impact, there is scarcity of research on certain fundamental points argued by Cohen and Levinthal. Among these is the importance of employee diversity as well as the type and nature of interaction between...

  15. Solution-processable phosphorescent to organic light-emitting diodes based on chromophoric amphiphile/silica nanocomposite

    Science.gov (United States)

    Yang, Chung-He; Yang, Sheng-Hsiung; Hsu, Chain-Shu

    2009-08-01

    We report the synthesis of a tris-cyclometalated iridium complex which emits sky-blue light and its potential use in phosphorescent light-emitting devices. The hybrid meso-structured nanocomposites by sol-gel co-assembly with tetraethyl ortho-silicate and corresponding molecular interactions within mesopores were also demonstrated. Electroluminescent devices were fabricated using carbazole-based monomers and iridium complex as the active layer, acting as a host/guest system through a co-assembled sol-gel process. Devices based on this nanocomposite showed improved luminescent efficiencies several times higher than that of similar chromophores elaborated in the literature. A triple-layer electroluminescence device with the configuration of ITO/PEDOT/ Ir(F2OC11ppy)3:CA-C11:PBD nanocomposite/TPBI/Ca/Al showed a maximum brightness of 1389 cd m-2 at 12 V and a maximum efficiency of 3.29 cd A-1.

  16. Recent Advances in Stimuli-Responsive Photo functional Materials Based on Accommodation of Chromophore into Layered Double Hydroxide Nano gallery

    International Nuclear Information System (INIS)

    The assembly of photo functional molecules into host matrices has become an important strategy to achieve tunable fluorescence and to develop intelligent materials. The stimuli-responsive photo functional materials based on chromophores-assembled layered double hydroxides (LDHs) have received much attention from both academic and industry fields as a result of their advantages, such as high photo/thermal stability, easy processing, and well reversibility, which can construct new types of smart luminescent nano materials (e.g., ultrathin film and nano composite) for sensor and switch applications. In this paper, external environmental stimuli have mainly involved physical (such as temperature, pressure, light, and electricity) and chemical factors (such as ph and metal ion); recent progress on the LDH-based organic-inorganic stimuli-responsive materials has been summarized. Moreover, perspectives on further development of these materials are also discussed

  17. Highly efficient non-doped deep blue fluorescent emitters with horizontal emitting dipoles using interconnecting units between chromophores.

    Science.gov (United States)

    Kim, Kwon-Hyeon; Baek, Jang Yeol; Cheon, Chan Woo; Moon, Chang-Ki; Sim, Bomi; Choi, Myeong Yong; Kim, Jang-Joo; Kim, Yun-Hi

    2016-09-21

    New deep blue fluorescent emitters composed of anthracene as an electron rich unit, a diphenyltriazine as a strong electron acceptor unit, and phenyl or xylene as interconnecting units were synthesised. The interconnecting unit between chromophores increased the singlet transition energy and the ratio of horizontal emitting dipoles. As a result, a non-doped blue fluorescent organic light-emitting diode (OLED) using a new emitter was demonstrated, with an external quantum efficiency (EQE) of 6.6% and Commision Internationale de l'Eclairage (CIE) colour coordinates of (0.145, 0.068). This device performance has been the highest EQE observed in deep blue non-doped OLEDs with CIE coordinates less than (0.145, 0.068) to date. PMID:27524501

  18. Recent Advances in Stimuli-Responsive Photofunctional Materials Based on Accommodation of Chromophore into Layered Double Hydroxide Nanogallery

    Directory of Open Access Journals (Sweden)

    Wu Li

    2013-01-01

    Full Text Available The assembly of photofunctional molecules into host matrices has become an important strategy to achieve tunable fluorescence and to develop intelligent materials. The stimuli-responsive photofunctional materials based on chromophores-assembled layered double hydroxides (LDHs have received much attention from both academic and industry fields as a result of their advantages, such as high photo/thermal stability, easy processing, and well reversibility, which can construct new types of smart luminescent nanomaterials (e.g., ultrathin film and nanocomposite for sensor and switch applications. In this paper, external environmental stimuli have mainly involved physical (such as temperature, pressure, light, and electricity and chemical factors (such as pH and metal ion; recent progress on the LDH-based organic-inorganic stimuli-responsive materials has been summarized. Moreover, perspectives on further development of these materials are also discussed.

  19. Theoretical Investigation on the Electron and Energy Transfer between Peripheral Carrier Transport Groups and Central Chromophores in Electroluminescent Materials

    Institute of Scientific and Technical Information of China (English)

    潘玉钰; 刘丹丹; 许海; 刘晓冬; 孙冠楠; 杨兵; 马於光

    2012-01-01

    The molecular materials with structures of luminescent core and peripheral carrier groups (e.g. carbazoles), have exhibited high-performance in organic light-emitting diodes (OLEDs). Present work is to understand the basic process of electronic and energy exchange between the peripheral functional groups and the central core through quantum chemical analysis. As an example, 4,7-bis(9,9-bis(6-(9H-carbazol-9-yl)hexyl)-9H-fluoren-2-yl)benzo[c]- [1,2,5]thiadiazole (TCBzC) is investigated in regards to optoelectronic properties using density functional theory (DFT). The results suggest that the forbidden transition from peripheral carbazole to the central chromophore core makes for separated electrical and optical properties, and high performance electroluminescence (EL) is mainly at- tributed to the energy-transfer from carbazoles to the fluorene derivative core.

  20. Experimental tests of the correlated chromophore domain model of self-healing in a dye-doped polymer

    CERN Document Server

    Ramini, Shiva K; Kuzyk, Mark G

    2013-01-01

    Temperature dependent photodegradation and recovery studies of Dipserse Orange 11 (DO11) dye dissolved in poly(methyl methacrylate) and polystyrene polymer hosts are used as a test of the recently proposed correlated chromophore domain model.[1] This model posits that dye molecules form domains or aggregates. The nature of aggregation or how it mediates self healing is not yet well understood. In this paper we present qualitative evidence that supports the hypothesis that the dye molecules undergo a change to a tautomer state with higher dipole moment and hydrogen bond with the amines and keto oxygens of the polymer. Groupings of such molecules in a polymer chain form what we call a domain, and interactions between molecules in a domain make them more robust to photodegradation and mediate self healing.