WorldWideScience

Sample records for hydrocarbon chromophores investigated

  1. Chromophore

    Directory of Open Access Journals (Sweden)

    Roxana Gabriela Zgârian

    2017-02-01

    Full Text Available The paper presents the main results of our study on preparation and characterization of conducting biomembranes to be used as solid polymer electrolytes (SPEs. It bases on deoxyribonucleic acid (DNA, glycerol (GLY and photosensitive chromophores, like Prussian Blue (PB. Its primary application is in fabrication of electrochromic windows. The new SPEs were characterized by UV-VIS and FTIR spectroscopy. They were used in preparation of small electrochromic devices (ECDs. The obtained devices were evaluated by cyclic voltammetry and also by spectroscopic methods. The results show their color change from blue pale to intense blue after application of a direct current (DC electric field, making the composites very interesting for industrial applications in smart windows.

  2. The relationship of chromophoric dissolved organic matter parallel factor analysis fluorescence and polycyclic aromatic hydrocarbons in natural surface waters.

    Science.gov (United States)

    Li, Sijia; Chen, Ya'nan; Zhang, Jiquan; Song, Kaishan; Mu, Guangyi; Sun, Caiyun; Ju, Hanyu; Ji, Meichen

    2018-01-01

    Polycyclic aromatic hydrocarbons (PAHs), a large group of persistent organic pollutants (POPs), have caused wide environmental pollution and ecological effects. Chromophoric dissolved organic matter (CDOM), which consists of complex compounds, was seen as a proxy of water quality. An attempt was made to understand the relationships of CDOM absorption parameters and parallel factor analysis (PARAFAC) components with PAHs under seasonal variation in the riverine, reservoir, and urban waters of the Yinma River watershed in 2016. These different types of water bodies provided wide CDOM and PAHs concentration ranges with CDOM absorption coefficients at a wavelength of 350 nm (a CDOM (350)) of 1.17-20.74 m -1 and total PAHs of 0-1829 ng/L. CDOM excitation-emission matrix (EEM) presented two fluorescent components, e.g., terrestrial humic-like (C1) and tryptophan-like (C2) were identified using PARAFAC. Tryptophan-like associated protein-like fluorescence often dominates the EEM signatures of sewage samples. Our finding is that seasonal CDOM EEM-PARAFAC and PAHs concentration showed consistent tendency indicated that PAHs were un-ignorable pollutants. However, the disparities in seasonal CDOM-PAH relationships relate to the similar sources of CDOM and PAHs, and the proportion of PAHs in CDOM. Overlooked and poorly appreciated, quantifying the relationship between CDOM and PAHs has important implications, because these results simplify ecological and health-based risk assessment of pollutants compared to the traditional chemical measurements.

  3. Investigating hydrocarbon contamination using ground penetrating radar

    International Nuclear Information System (INIS)

    Roest, P.B. van der; Brasser, D.J.S.; Wagebaert, A.P.J.; Stam, P.H.

    1996-01-01

    The increasing costs of remediating contaminated sites has stimulated research for cost reducing techniques in soil investigation and clean-up techniques. Under the traditional approach soil borings and groundwater wells are used to investigate contaminated soil. These are useful tools to determine the amount and characteristics of the contamination, but they are inefficient and costly in providing information on the location and extent of contamination as they only give information on one point. This often leads to uncertainty in estimating clean-up costs or, even worse, to unsuccessful clean-ups. MAP Environmental Research has developed a technology using Ground Penetrating Radar (GPR) in combination with in-house developed software to locate and define the extent of hydrocarbon contamination. With this technology, the quality of site investigation is increased while costs are reduced. Since 1994 MAP has been improving its technology and has applied it to over 100 projects, which all have been checked afterwards by conventional drilling. This paper gives some general characteristics of the method and presents a case study. The emphasis of this paper lies on the practical application of GPR to hydrocarbon contamination detection

  4. Investigation Status of Heat Exchange while Boiling Hydrocarbon Fuel

    Directory of Open Access Journals (Sweden)

    D. S. Obukhov

    2006-01-01

    Full Text Available The paper contains analysis of heat exchange investigations while boiling hydrocarbon fuel. The obtained data are within the limits of the S.S. Kutateladze dependence proposed in 1939. Heat exchange at non-stationary heat release has not been investigated. The data for hydrocarbon fuel with respect to critical density of heat flow are not available even for stationary conditions.

  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. Investigation of Underground Hydrocarbon Leakage using Ground Penetrating Radar

    Science.gov (United States)

    Srigutomo, Wahyu; Trimadona; Agustine, Eleonora

    2016-08-01

    Ground Penetrating Radar (GPR) survey was carried out in several petroleum plants to investigate hydrocarbon contamination beneath the surface. The hydrocarbon spills are generally recognized as Light Non-Aqueous Phase Liquids (LNAPL) if the plume of leakage is distributed in the capillary fringe above the water table and as Dense Non-Aqueous Phase Liquids (DNAPL) if it is below the water table. GPR antennas of 200 MHz and 400 MHz were deployed to obtain clear radargrams until 4 m deep. In general, the interpreted radargram sections indicate the presence of surface concrete layer, the compacted silty soill followed by sand layer and the original clayey soil as well as the water table. The presence of hydrocarbon plumes are identified as shadow zones (radar velocity and intensity contrasts) in the radargram that blur the layering pattern with different intensity of reflected signal. Based on our results, the characteristic of the shadow zones in the radargram is controlled by several factors: types of hydrocarbon (fresh or bio-degraded), water moisture in the soil, and clay content which contribute variation in electrical conductivity and dielectric constants of the soil.

  7. 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.

  8. Electronic states of model hydrocarbon chromophores investigated by Synchrotron Radiation Linear Dichroism (SRLD) spectroscopy on aligned samples

    DEFF Research Database (Denmark)

    Nguyen, Duy Duc; Hoffmann, Søren Vrønning; Jones, Nykola

    2010-01-01

    Conventional UV-VIS absorption spectroscopy provides information on transition energies and intensities. Linear dichroism (LD) spectroscopy on aligned molecular samples yields additional information on transition moment directions, thereby frequently leading to resolution of otherwise overlapping...

  9. Hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    1927-02-22

    Coal tar, mineral oils, bitumens, coal extraction products, hydrogenation products of coal, oil schists can be atomized and heated with steam to decompose pyrogenetically and form gases rich in olefins which may be heated with or without pressure and with or without catalysts to produce liquid hydrocarbons of low boiling point, some of which may be aromatic. The apparatus should be lined with copper, silica, or ferrosilicon to prevent contact of the bases with iron which causes deposition of soot. Catalysts used may be metal oxides, silica, graphite, active charcoal, mica, pumice, porcelain, barium carbonate, copper, silver, gold, chromium, boron, or their compounds. At temperatures from 300 to 400/sup 0/C, olefins are produced. At higher temperatures, naphthenes and benzene hydrocarbons are produced.

  10. 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...

  11. The applicability of radiotracers for the investigation of the distillation of hydrocarbons

    International Nuclear Information System (INIS)

    Graczyk, J.; Iller, E.

    1976-01-01

    The use of radioactive tracers provide valuable methods for the investigation of distillation processes and have been applied to determine the characteristics of material streams, the dynamics of flowing phases and the composition in various parts of the distillation equipment. A method is proposed for testing individual radiotracers emplozemployed for the investigation of the distillation of hydrocarbons. The method consists in laboratory-scale distillation of a tracer together with a multicomponent hydrocarbon mixture, namely a gasoline fraction. The purification efficiency, distillation characteristics, and effective radiochemical purity of several tracers (reactor activated bromobenzene and synthesized C 3 H 7 82 Br, C 4 H 9 82 Br, C 5 H 11 82 Br) have been investigated. The distillation characteristics of bromohydrocarbons labelled with 82 Br and selected hydrocarbons tagged with 14 C (benzene and cumene) have been compared. The radiotracers investigated were employed for the determination of the hydrodynamic parameters of hydrocarbon distillation in laboratory packed columns and a commercial distillation tower. (author)

  12. Investigation of the ignition of liquid hydrocarbon fuels with nanoadditives

    Science.gov (United States)

    Bakulin, V. N.; Velikodnyi, V. Yu.; Levin, Yu. K.; Popov, V. V.

    2017-12-01

    During our experimental studies we showed a high efficiency of the influence of nanoparticle additives on the stability of the ignition of hydrocarbon fuels and the stabilization of their combustion in a highfrequency high-voltage discharge. We detected the effects of a jet deceleration, an increase in the volume of the combustible mixture, and a reduction in the inflammation delay time. These effects have been estimated quantitatively by digitally processing the video frames of the ignition of a bubbled kerosene jet with 0.5% graphene nanoparticle additives and without these additives. This effect has been explained by the influence of electrodynamic processes.

  13. Differentiation of naturally-occurring vs. artificial hydrocarbons in a landfill groundwater investigation

    International Nuclear Information System (INIS)

    Beaver, J.L.; Hartness, J.A.; Breeding, L.B.; Buchanan, D.M.

    1994-01-01

    Interpretation of groundwater sampling data at a large municipal/industrial landfill indicates contamination by both artificial and naturally-occurring hydrocarbons. Site hydrogeology consists of three different water bearing zones. The uppermost (shallow) aquifer is an unconfined unit consisting of silt, clay, and sand deposits. An intermediate depth semiconfined aquifer underlies the unconfined unit, and consists of a chert rubble zone and the upper portion of a fractured and solution-enhanced limestone formation. A regionally-extensive organic-rich shale underlies the semiconfined aquifer and separates it from the deep confined aquifer, which also consists of limestone. Groundwater investigations at the landfill have detected chlorinated and non-chlorinated hydrocarbons in the different aquifer intervals. Chlorinated hydrocarbons detected include tetrachloroethene, dichloroethene, and vinyl chloride and occur almost exclusively in the shallow aquifer. Aromatic hydrocarbons detected include benzene, toluene, ethylbenzene, and xylene (BTEX) and-occur in the intermediate and deep aquifers. The landfill was originally interpreted as the source of the contaminants. The observation of free-phase liquid hydrocarbons in the intermediate aquifer at the site, and high dissolved BTEX levels in the deep and intermediate aquifers upgradient of the landfill suggest that the aromatics were derived from a source other than the landfill. A potential source of BTEX contamination may be abandoned (pre-1930) natural gas wells located near the landfill. An additional BTEX source may be the organic-rich shale formation (a documented petroleum source rock)

  14. Experimental investigation of hydrocarbon mixtures to replace HFC-134a in an automotive air conditioning system

    International Nuclear Information System (INIS)

    Wongwises, Somchai; Kamboon, Amnouy; Orachon, Banchob

    2006-01-01

    This paper presents an experimental study on the application of hydrocarbon mixtures to replace HFC-134a in automotive air conditioners. The hydrocarbons investigated are propane (R290), butane (R600) and isobutane (R600a). The measured data are obtained from an automotive air conditioning test facility utilizing HFC-134a as the refrigerant. The air conditioner, with a capacity of 3.5 kW driven by a Diesel engine, is charged and tested with four different ratios of hydrocarbon mixtures. The experiments are conducted at the same surrounding conditions. The temperature and pressure of the refrigerant at every major position in the refrigerant loop, the temperature, flow rate and humidity of air, torque and engine speed are recorded and analyzed. The parameters investigated are the refrigeration capacity, the compressor power and the coefficient of performance (COP). The results show that propane/butane/isobutane: 50%/40%/10% is the most appropriate alternative refrigerant to replace HFC-134a, having the best performance of all the hydrocarbon mixtures investigated

  15. Investigating bioremediation of petroleum hydrocarbons through landfarming using apparent electrical conductivity measurements

    Science.gov (United States)

    Van De Vijver, Ellen; Van Meirvenne, Marc; Seuntjens, Piet

    2015-04-01

    Bioremediation of soil contaminated with petroleum hydrocarbons through landfarming has been widely applied commercially at large scale. Biodegradation is one of the dominant pollutant removal mechanisms involved in landfarming, but strongly depends on the environmental conditions (e.g. presence of oxygen, moisture content). Conventionally the biodegradation process is monitored by the installation of field monitoring equipment and repeated sample collection and analysis. Because the presence of petroleum hydrocarbons and their degradation products can affect the electrical properties of the soil, proximal soil sensors such as electromagnetic induction (EMI) sensors may provide an alternative to investigate the biodegradation process of these contaminants. We investigated the relation between the EMI-based apparent electrical conductivity (ECa) of a landfarm soil and the presence and degradation status of petroleum hydrocarbons. The 3 ha study area was located in an oil refinery complex contaminated with petroleum hydrocarbons, mainly composed of diesel. At the site, a landfarm was constructed in 1999. The most recent survey of the petroleum hydrocarbon concentrations was conducted between 2011 and 2013. The sampling locations were defined by a grid with a 10 m by 10 m cell size and on each location a sample was taken from four successive soil layers with a thickness of 0.5 m each. Because the survey was carried out in phases using different georeferencing methods, the final dataset suffered from uncertainty in the coordinates of the sampling locations. In September 2013 the landfarm was surveyed for ECa with a multi-receiver electromagnetic induction sensor (DUALEM-21S) using motorized conveyance. The horizontal measurement resolution was 1 m by 0.25 m. On each measurement location the sensor recorded four ECa values representative of measurement depths of 0.5 m, 1.0 m, 1.6 m and 3.2 m. After the basic processing, the ECa measurements were filtered to remove

  16. Numerical investigation of boiling heat transfer on hydrocarbon mixture refrigerant in vertical rectangular minichannel

    OpenAIRE

    Huixing Li; Yu Liu

    2016-01-01

    In order to investigate the characteristics of boiling heat transfer for hydrocarbon mixture refrigerant in plate-fin heat exchanger which is used in the petrochemical industry field, a model was established on boiling heat transfer in vertical rectangular channel. The simulated results were compared with the experimental data from literature. The results show that the deviation between the simulated results and experimental data is within ±15%. Meanwhile, the characteristic of boiling heat t...

  17. Investigations on potential bacteria for the bioremediation treatment of environments contaminated with hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Lazar, I.; Voicu, A.; Dobrota, S.; Stefanescu, M. [Institute of Biology of Romanian Academy, Bucharest (Romania)] [and others

    1995-12-31

    In Romania after more than 135 years of oil production and processing, some severe environmental pollution problems have accumulated. In this context a joint research group from Institute of Biology Bucharest and S.C. Petrostar S.A. Ploiesti became involved in a research project on bioremediation of an environment contaminated with hydrocarbon waste. In the first stage of this project, investigations on microbial communities occurring in environments contaminated with oil were carried out. In the second stage, the hundreds of bacterial strains and populations isolated from soils, slops, and water sites contaminated with waste oil and water waste oil mix were submitted to a screening program, to select a naturally occurring mixed culture with a high ability to degrade hydrocarbons.

  18. Investigating Superhydrogenated Polycyclic Aromatic Hydrocarbons as catalysts for Interstellar H2 formation

    DEFF Research Database (Denmark)

    Simonsen, Frederik Doktor Skødt

    2016-01-01

    Temperature programmed desorption has been used to investigate adsorption and abstraction of hydrogen atoms on the polycyclic aromatic hydrocarbon, coronene. The coronene molecules were exposed to different hydrogen fluences at a dosing temperature of 1000K. Large fluences of hydrogen leave...... large abundances, alongside H2[2]. To investigate the the abstraction and adsoption patterns of hydrogen/deuterium on coronene, C24H12 (a PAH), we used temperature programmed desorption (TPD). Coronene monolayers were prepared on graphite and exposed to different fluences of 1000 K H or D atoms...

  19. Application of compound specific 13C isotope investigations of chlorinated hydrocarbons in contaminated groundwaters

    International Nuclear Information System (INIS)

    Osenbrueck, K.; Heidinger, M.; Voropaev, A.; Ertl, S.; Eichinger, L.

    2002-01-01

    Full text: Chlorinated hydrocarbons are one of the most common pollutants found in groundwater. Due to complex contamination situations with overlapping contamination plumes the assessment of the organic contaminants requires the installation of expensive observation wells and high analytical effort. Here the determination of the stable isotope ratio 13 C/ 12 C of the organic compounds offers a promising and efficient tool to investigate the origin and the biodegradation characteristics of the chlorinated hydrocarbons in groundwater. The application of the method is based on characteristic isotope fingerprints, differing in chlorinated solvents. This isotope fingerprint is derived from different production pathways and is not influenced by transport or by retardation processes in the underground. Due to the fact, that two different contaminations can easily be distinguished by isotope ratios, an improved distinction of spatially and temporally different contamination plumes might be possible. In course of biologically mediated degradation processes a shift of the isotope ratios between the precursor and the product can frequently be observed, such as with denitrification or sulfate reduction processes. The isotope fractionation is due to a preferential reaction of the bonds formed by the lighter isotopes and leads to a progressive enrichment of the heavy isotopes in the precursor while the product becomes depleted in the heavy isotopes. Biological degradation of the highly chlorinated hydrocarbons is due to a co-metabolic dechlorinisation. Tetrachloroethene (PCE) for example degrades under anoxic conditions via trichloroethene (TCE) to cis-1,2-dichloroethene (cDCE). Subsequent degradation to vinyl chloride (VC) and ethene may appear under aerobic as well as reducing environments depending on the site specific conditions. In several laboratory studies it has been shown, that biodegradation of the chlorinated hydrocarbons is accompanied by an isotope fractionation of

  20. Evaluation of environmental samples containing heavy hydrocarbon components in environmental forensic investigations

    Energy Technology Data Exchange (ETDEWEB)

    Raia, J.C.; Blakley, C.R.; Fuex, A.N.; Villalanti, D.C.; Fahrenthold, P.D. [Triton Anal Corp, Houston, TX (United States)

    2004-03-01

    This article presents a procedure to evaluate and characterize environmental samples containing mixtures of hydrocarbons over a wide boiling range of materials that include fuels and other products used in commerce. The range of the method extends to the higher boiling and heavier molecular weight hydrocarbon products in the range of motor oil, bunker fuel, and heavier residue materials. The procedure uses the analytical laboratory technique of high-temperature simulated distillation along with mathematical regression of the analytical data to estimate the relative contribution of individual products in mixtures of hydrocarbons present in environmental samples. An analytical technique to determine hydrocarbon-type distributions by gas chromatography-mass spectrometry with nitric oxide ionization spectrometry evaluation is also presented. This type of analysis allows complex hydrocarbon mixtures to be classified by their chemical composition, or types of hydrocarbons that include paraffins, cycloparaffins, monoaromatics, and polycyclic aromatic hydrocarbons. Characteristic hydrocarbon patterns for example, in the relative distribution of polycyclic aromatic hydrocarbons are valuable for determining the potential origin of materials present in environmental samples. These methods provide quantitative data for hydrocarbon components in mixtures as a function of boiling range and 'hydrocarbon fingerprints' of the types of materials present. This information is valuable in assessing environmental impacts of hydrocarbons at contaminated sites and establishing the liabilities and cost allocations for responsible parties.

  1. Investigating Superhydrogenated Polycyclic Aromatic Hydrocarbons on HOPG and their catalytic abilities of H2 formation

    DEFF Research Database (Denmark)

    Simonsen, Frederik Doktor Skødt

    Scanning tunneling microscopy and temperature programmed desorption techniques have been used to investigate adsorption and abstraction of hydrogen atoms on the polycyclic aromatic hydrocarbon, coronene. The coronene molecules were exposed to different hydrogen fluences at a dosing temperature......). Both scanning tunneling microscopy (STM) and temperature programmed desorption (TPD) techniques have been used. Coronene monolayers were prepared on graphite and exposed to different fluences of 1000K H or D atoms. STM images show brigth spots on the coronene monolayers after hydrogenation indicating...... calcutions have also been made on desorption of H from a fully hydrogenated coronene molecule. The desorption DFT calculation reveals a favourable desorption route and stable configurations consistent with our TPD measurements[5]. References [1] Tielens, A., Reviews of Modern Physics, 85 (2013) 1021-1081 [2...

  2. Raman and photoelectron spectroscopic investigation of high-purity niobium materials: Oxides, hydrides, and hydrocarbons

    Science.gov (United States)

    Singh, Nageshwar; Deo, M. N.; Nand, Mangla; Jha, S. N.; Roy, S. B.

    2016-09-01

    We present investigations of the presence of oxides, hydrides, and hydrocarbons in high-purity (residual resistivity ratio, ˜300) niobium (Nb) materials used in fabrication of superconducting radio frequency (SRF) cavities for particle accelerators. Raman spectroscopy of Nb materials (as-received from the vendor as well as after surface chemical- and thermal processing) revealed numerous peaks, which evidently show the presence of oxides (550 cm-1), hydrides (1277 and 1385 cm-1: ˜80 K temperature), and groups of hydrocarbons (1096, 2330, 2710, 2830, 2868, and 3080 cm-1). The present work provides direct spectroscopic evidence of hydrides in the electropolished Nb materials typically used in SRF cavities. Raman spectroscopy thus can provide vital information about the near-surface chemical species in niobium materials and will help in identifying the cause for the performance degradation of SRF cavities. Furthermore, photoelectron spectroscopy was performed on the Nb samples to complement the Raman spectroscopy study. This study reveals the presence of C and O in the Nb samples. Core level spectra of Nb (doublet 3d5/2 and 3d3/2) show peaks near 206.6 and 209.4 eV, which can be attributed to the Nb5+ oxidation state. The core level spectra of C 1 s of the samples are dominated by graphitic carbon (binding energy, 284.6 eV), while the spectra of O 1 s are asymmetrically peaked near binding energy of ˜529 eV, and that indicates the presence of metal-oxide Nb2O5. The valence-band spectra of the Nb samples are dominated by a broad peak similar to O 2p states, but after sputtering (for 10 min) a peak appears at ˜1 eV, which is a feature of the elemental Nb atom.

  3. RP-2 Thermal Stability and Heat Transfer Investigation for Hydrocarbon Boost Engines

    Science.gov (United States)

    VanNoord, J. L.; Stiegemeier, B. R.

    2010-01-01

    A series of electrically heated tube tests were performed at the NASA Glenn Research Center s Heated Tube Facility to investigate the use of RP-2 as a fuel for next generation regeneratively cooled hydrocarbon boost engines. The effect that test duration, operating condition and test piece material have on the overall thermal stability and materials compatibility characteristics of RP-2 were evaluated using copper and 304 stainless steel test sections. The copper tests were run at 1000 psia, heat flux up to 6.0 Btu/in.2-sec, and wall temperatures up to 1180 F. Preliminary results, using measured wall temperature as an indirect indicator of the carbon deposition process, show that in copper test pieces above approximately 850 F, RP-2 begins to undergo thermal decomposition resulting in local carbon deposits. Wall temperature traces show significant local temperature increases followed by near instantaneous drops which have been attributed to the carbon deposition/shedding process in previous investigations. Data reduction is currently underway for the stainless steel test sections and carbon deposition measurements will be performed in the future for all test sections used in this investigation. In conjunction with the existing thermal stability database, these findings give insight into the feasibility of cooling a long life, high performance, high-pressure liquid rocket combustor and nozzle with RP-2.

  4. Investigations on the pyrolysis of hydrocarbons in the inductive coupled RF-plasma and the deposited pyrocarbon

    International Nuclear Information System (INIS)

    Eisgruber, H.; Mazurkiewicz, M.; Nickel, H.

    1979-08-01

    The pyrocarbon coatings of the nuclear fuel particles for the High-Temperature Reactor (HTR) are produced by pyrolysis of hydrocarbons under high temperatures. The investigations of the inductive coupled argon or argon/hydrocarbon-plasma performed in the frame of this work deliver a contribution for the clarification of pyrolysis processes and the production of pyrolytic carbons in the plasma of an electric discharge. The argon-plasma, as high-temperature source, is diagnosed theoretically and emission-spectroscopically. To the pure argon-plasma the various hydrocarbons are added. Due to the thermal decomposition the carbon is separated in solid form. The structure of the deposited pyrocarbon is composed of different components. The depositions are characterised with the principles in use at the IRW and are assigned to the fluidized bed pyrocarbons as fas as possible. (orig.) [de

  5. Field Investigation of Natural Attenuation of a Petroleum Hydrocarbon Contaminated Aquifer, Gyeonggi Province, Korea

    Science.gov (United States)

    Yang, J.; Lee, K.; Bae, G.

    2004-12-01

    In remediation of a petroleum hydrocarbon contaminated aquifer, natural attenuation may be significant as a remedial alternative. Therefore, natural attenuation should be investigated in the field in order to effectively design and evaluate the remediation strategy at the contaminated site. This study focused on evaluating the natural attenuation for benzene, toluene, ethylbenzene, and xylene (BTEX) at a contaminated site in South Korea. At the study site, the aquifer is composed of a high permeable gravel layer and relatively low permeable sandy-silt layers. Groundwater level vertically fluctuated between 1m and 2m throughout the year (April, 2003~June, 2004) and showed direct response to rainfall events. Chemical analyses of sampled groundwater were performed to investigate the concentrations of various chemical species which are associated with the natural attenuation processes. To evaluate the degree of the biodegradation, the expressed biodegradation capacity (EBC) analysis was done using aerobic respiration, nitrate reduction, manganese reduction, ferric iron reduction, and sulfate reduction as an indicator. High EBC value of sulfate indicate that anaerobic biodegradation by sulfate reduction was a dominant process of mineralization of BTEX at this site. The EBC values decrease sensitively when heavy rainfall occurs due to the dilution and inflow of electron acceptors through a gravel layer. The first-order biodegradation rates of BTEX were estimated by means of the Buscheck and Alcantar method (1995). Results show that the natural attenuation rate of benzene was the highest among the BTEX.

  6. Numerical investigation of boiling heat transfer on hydrocarbon mixture refrigerant in vertical rectangular minichannel

    Directory of Open Access Journals (Sweden)

    Huixing Li

    2016-05-01

    Full Text Available In order to investigate the characteristics of boiling heat transfer for hydrocarbon mixture refrigerant in plate-fin heat exchanger which is used in the petrochemical industry field, a model was established on boiling heat transfer in vertical rectangular channel. The simulated results were compared with the experimental data from literature. The results show that the deviation between the simulated results and experimental data is within ±15%. Meanwhile, the characteristic of boiling heat transfer was investigated in vertical rectangular minichannel of plate-fin heat exchanger. The results show that the boiling heat transfer coefficient increases with the increase in quality and mass flux and is slightly impacted by the heat flux. This is because that the main boiling mechanism is forced convective boiling while the contribution of nucleate boiling is slight. The correlation of Liu and Winterton is in good agreement with the simulation results. The deviation between correlation calculations and simulation results is mostly less than ±15%. These results will provide some constructive instructions for the understanding of saturated boiling mechanism in a vertical rectangular minichannel and the prediction of heat transfer performance in plate-fin heat exchanger.

  7. Petroleum hydrocarbon contaminated sites: a review of investigation and remediation regulations and processes

    Energy Technology Data Exchange (ETDEWEB)

    Epelbaum, Michel; Claudio, Jair R. [Bureau Veritas do Brasil Sociedade Classificadora e Certificadora Ltda., Sao Paulo, SP (Brazil)

    1993-12-31

    This paper discusses alternatives on remediation of petroleum hydrocarbon contaminated sites which include groundwater remediation techniques and soil remediation techniques. Finally, the work points out some trends of sites remediation in Brazil and abroad. 6 refs., 1 fig., 7 tabs.

  8. Investigation of sulfur-polycyclic aromatic hydrocarbon in coal derived tars of pyrolysis and hydropyrolysis

    Energy Technology Data Exchange (ETDEWEB)

    Chen, H.; Li, B.; Zhang, B. [Chinese Academy of Sciences, Taiyuan (China). State Key Laboratory of Coal Conversion

    1999-07-01

    A study was undertaken to characterize sulphur forms in coal derived tars from pyrolysis and hydropyrolysis of bituminous coal and lignite. The pyrolysis tars were analyzed for content of polycyclic aromatic sulfur hydrocarbons (PASH). 5 refs., 3 figs., 3 tabs.

  9. Petroleum hydrocarbon contaminated sites: a review of investigation and remediation regulations and processes

    Energy Technology Data Exchange (ETDEWEB)

    Epelbaum, Michel; Claudio, Jair R [Bureau Veritas do Brasil Sociedade Classificadora e Certificadora Ltda., Sao Paulo, SP (Brazil)

    1994-12-31

    This paper discusses alternatives on remediation of petroleum hydrocarbon contaminated sites which include groundwater remediation techniques and soil remediation techniques. Finally, the work points out some trends of sites remediation in Brazil and abroad. 6 refs., 1 fig., 7 tabs.

  10. Investigating Hydrocarbon Seep Environments with High-Resolution, Three-Dimensional Geographic Visualizations.

    Science.gov (United States)

    Doolittle, D. F.; Gharib, J. J.; Mitchell, G. A.

    2015-12-01

    Detailed photographic imagery and bathymetric maps of the seafloor acquired by deep submergence vehicles such as Autonomous Underwater Vehicles (AUV) and Remotely Operated Vehicles (ROV) are expanding how scientists and the public view and ultimately understand the seafloor and the processes that modify it. Several recently acquired optical and acoustic datasets, collected during ECOGIG (Ecosystem Impacts of Oil and Gas Inputs to the Gulf) and other Gulf of Mexico expeditions using the National Institute for Undersea Science Technology (NIUST) Eagle Ray, and Mola Mola AUVs, have been fused with lower resolution data to create unique three-dimensional geovisualizations. Included in these data are multi-scale and multi-resolution visualizations over hydrocarbon seeps and seep related features. Resolution of the data range from 10s of mm to 10s of m. When multi-resolution data is integrated into a single three-dimensional visual environment, new insights into seafloor and seep processes can be obtained from the intuitive nature of three-dimensional data exploration. We provide examples and demonstrate how integration of multibeam bathymetry, seafloor backscatter data, sub-bottom profiler data, textured photomosaics, and hull-mounted multibeam acoustic midwater imagery are made into a series a three-dimensional geovisualizations of actively seeping sites and associated chemosynthetic communities. From these combined and merged datasets, insights on seep community structure, morphology, ecology, fluid migration dynamics, and process geomorphology can be investigated from new spatial perspectives. Such datasets also promote valuable inter-comparisons of sensor resolution and performance.

  11. Investigation of the combustion kinetics and polycyclic aromatic hydrocarbon emissions from polycaprolactone combustion.

    Science.gov (United States)

    Chien, Y C; Yang, S H

    2013-01-01

    Polycaprolactone (PCL) is one of the most attractive biodegradable plastics that has been widely used in medicine and agriculture fields. Because of the large increase in biodegradable plastics usage, the production of waste biodegradable plastics will be increasing dramatically, producing a growing environmental problem. Generally, waste PCL is collected along with municipal solid wastes and then incinerated. This study investigates the combustion kinetics and emission factors of 16 US Environmental Protection Agency (EPA) priority polycyclic aromatic hydrocarbons (PAHs) in the PCL combustion. Experimentally, two reactions are involved in the PCL combustion process, possibly resulting in the emission of carbon dioxide, propanal, protonated caprolactone and very small amounts of PAH produced by incomplete combustion. The intermediate products may continuously be oxidized to form CO2. The emission factors for 16 US EPA priority PAHs are n.d. -2.95 microg/g, which are much lower than those of poly lactic acid and other plastics combustion. The conversion of PCL is 100%. Results from this work suggest that combustion is a good choice for the waste PCL disposal.

  12. [Investigation of heavy metal and polycyclic aromatic hydrocarbons contamination in street dusts in urban Beijing].

    Science.gov (United States)

    Xiang, Li; Li, Ying-Xia; Shi, Jiang-Hong; Liu, Jing-Ling

    2010-01-01

    This paper investigated the contamination levels of heavy metal and polycyclic aromatic hydrocarbons (PAHs) in street dusts in different functional areas in urban Beijing. Results show that the mean concentrations of Cd, Hg, Cr, Cu, Ni, Pb and Zn in street dusts in Beijing are 710 ng/g, 307 ng/g, 85.0 microg/g, 78.3 microg/g, 41.1 microg/g, 69.6 microg/g and 248.5 microg/g, respectively, which are significantly lower than those in most cities around the world and Shenyang, Shanghai in China. The mean concentration of Sigma 16PAHs in street dusts in Beijing is 0.398 microg/g, which is also lower than those of Handan, Tianjin and Shanghai. Non-parametric Friedman test demonstrates significant differences of heavy metal contents on street dusts from different functional zones. Street dusts in residential area and parks have lower heavy metal and PAHs concentrations than the street dusts from areas of high traffic density. The concentrations of heavy metals follow the order Zn > Cr > Cu > Pb > Ni > Cd > Hg, which is consistent with the situation in other cities around the world. The geoaccumulation index analysis shows that street dust in urban Beijing is moderately polluted by Cd, Zn and Cu, little polluted by Cr and Pb and practically unpolluted by Ni. The contamination levels of Sigma 16PAHs on street dusts vary greatly in different functional zones with parks little polluted, residential areas moderately to strongly polluted and traffic related areas strongly polluted to extremely polluted. Mass loading of heavy metals and PAHs is largely associated with street dusts of size range < 300 microm. Therefore, the urban sweeping vehicles should update the dust sweeping devices to remove not only the fine particle but also the coarser particles.

  13. Investigation of non-volatile additives on the process of distillation of hydrocarbon mixtures

    Directory of Open Access Journals (Sweden)

    М.Б. Степанов

    2009-02-01

    Full Text Available  The given results of researches of influence of nonvolatile additives on processes of distillation of individual hydrocarbons and their mixes, including petroleum and mineral oil. With the help of the developed computer system of the continuous control of distillation it is shown, that at the presence of small amounts of the additive decrease of temperature of the beginning of boiling of hydrocarbons is observed, their speeds of banish and exits of light fuel mineral oil grow during initial oil refining

  14. Investigation on the presence of aromatic hydrocarbons, polycyclic aromatic hydrocarbons, persistent organo chloride compounds, phthalates and the breathable fraction of atmospheric particulate in the air of Rieti (Italy) urban area

    International Nuclear Information System (INIS)

    Guidotti, M.; Colasanti, G.; Chinzari, M.; Ravaioli, G.; Vitali, M.

    1998-01-01

    Purpose of this work is to present the results of the investigation on the presence of aromatic hydrocarbons, polycyclic aromatic hydrocarbons (PAHs), phthalates, polychlorobiphenyls (PCBs), pesticides and the breathable fraction of atmospheric particulate, in the samples of air collected from 2 different urban areas of Rieti city (Italy). Different values, for the above mentioned analytes, are compared in relation to seasonal factors and the analytical methods used in this research are also presented [it

  15. Investigation of the suspected presence of solid hydrocarbon in bedded salt samples from the Palo Duro Basin, Texas

    International Nuclear Information System (INIS)

    1985-10-01

    This report contains laboratory test results for two bedded salt samples from the Grabbe No. 1 (PD-2) Well of the Palo Duro Basin, Texas. This study was commissioned to determine whether or not solid hydrocarbons exist in bedded salt samples in the Palo Duro Basin. Laboratory investigations include electron microprobe examinations on polished thin sections and optical examinations and chemical tests on insoluble residues of the salt samples. No direct evidence was found that identifiable solid hydrocarbons are present in either sample of the bedded salt core. The total carbon content of the two salt samples was measured yielding 0.016 and 0.022 weight percent carbon. Detailed microscopic analyses showed that the carbon in the samples was associated with calcite, clays, and the epoxy resin used in sample preparation

  16. Investigation of Factors Influencing Dispersion of Liquid Hydrocarbons in Porous Media

    Directory of Open Access Journals (Sweden)

    Hussain Ali Baker

    2016-08-01

    Full Text Available An experimental work has been done to study the major factors that affect the axial dispersion of some hydrocarbons during liquid-liquid miscible displacement. Kerosene and gas oil are used as displacing phase while seven liquid hydrocarbons of high purity represent the displaced phase, three of the liquids are aromatics and the rest are of paraffinic base. In conducting the experiments, two packed beds of different porosity and permeability are used as porous media. The results showed that the displacement process is not a piston flow, breakthrough of displacing fluids are shown before one pore volume has been injected. The processes are stable with no evidence of viscous fingering. Dispersion model as adapted by Brigham et.al (1961 is used to determine the axial dispersion coefficient of displacing fluid. The results show an increasing in dispersion coefficient as the interstitial velocity and viscosity ratio increases.

  17. Investigations on the carbon contaminations on the alkali cells of DPAL with hydrocarbon buffer gas

    Science.gov (United States)

    Li, Zhiyong; Tan, Rongqing; Wang, Yujie; Ye, Qing; Bian, Jintian; Huang, Wei; Li, Hui; Han, Gaoce

    2017-10-01

    Diode pumped alkali laser (DPAL) with hydrocarbon buffer gases has the features of low threshold and high efficiency. The chemical reaction between alkali and hydrocarbon gases affects the life time of DPAL. In this paper, a method based on Fourier transform infrared spectroscopy and Lambert-Beer law is adopted to find a safe temperature at which DPAL runs for a long term. A theoretical model is established to figure out ways to reduce the peak temperature in the cell window. The results indicates that 170 °C is a safe temperature. Although the absorbance of the cell window to the pump light and alkali laser is lower, there is temperature increase. Small light-transmitting area and air blowing on the windows can reduce the peak temperature effectively. Cooling the cell window is essential and critical in a long-term running DPAL.

  18. Investigation of the toxicokinetics of petroleum hydrocarbon distillates with the earthworm Eisenia andrei.

    Science.gov (United States)

    Cermak, Janet; Stephenson, Gladys; Birkholz, Detlef; Dixon, D George

    2013-04-01

    The Canada-wide standards for petroleum hydrocarbons in soils regulate petroleum hydrocarbons based on four distillate ranges: F1 (C6-C10), F2 (>C10-C16), F3 (>C16-C34), and F4 (>C34). Previous toxicity tests with earthworms and F2, as well as two subfractions of F3, F3a (>C16-C23) and F3a (>C23-C34), indicate that test durations might not be sufficiently long to reach threshold effect concentrations, likely because of the differing toxicokinetics for each distillate. A study was conducted to determine the toxicokinetics of both aliphatic and aromatic fractions of F2, F3a, and F3b with the earthworm Eisenia andrei. Peak accumulation curves were observed for F2 aliphatics and aromatics and F3a aromatics, likely as a result of changes in exposure concentration over the test duration via loss or a decrease in the bioavailable fraction. Biota-soil accumulation factors were >1 for total F2 aliphatics and aromatics and F3a aromatics as well as for several individual polyaromatic hydrocarbons for each distillate. Aromatics were disproportionately accumulated over aliphatics and were the main contributors to toxicity; therefore, aromatics and aliphatics should be regulated separately. The toxicokinetics were used to interpret previous toxicity data. Higher molecular weight distillates need longer-than-standard test durations to determine toxicity, so toxicity test results from fixed, standard-duration tests are not strictly comparable for these petroleum distillates. Copyright © 2013 SETAC.

  19. Heterocyclic Nonlinear Optical Chromophores Composed of Phenothiazine or Carbazole Donor and 2-Cyanomethylene-3-cyano-4,5,5- trimethyl-2,5-dihydrofuran Acceptor

    International Nuclear Information System (INIS)

    Cho, Min Ju; Kim, Ja Youn; Kim, Jae Hong; Lee, Seung Hwan; Choi, Dong Hoon; Dalton, Larry R.

    2005-01-01

    We prepared the new nonlinear optical chromophores that show fairly high microscopic nonlinearity through intramolecular charge transfer. Phenothiazine and carbazole units played an important role to contribute high electron donability and connect the resonance pathway via conjugative effect in the cyclized ring beside the aromatic ring. Theoretical calculation, electrochemical analysis, and absorption spectroscopic study gave us useful information about the energy states and microscopic nonlinearities of two serial chromophores. We compared the microscopic nonlinearities of four chromophores with the conjugation length and electron donability in the push-pull type NLO chromophores. The effect of gradient donability and lengthening the conjugation were investigated on the electronic state and microscopic nonlinearity

  20. Molecular Selectivity of Brown Carbon Chromophores

    Energy Technology Data Exchange (ETDEWEB)

    Laskin, Julia; Laskin, Alexander; Nizkorodov, Sergey; Roach, Patrick J.; Eckert, Peter A.; Gilles, Mary K.; Wang, Bingbing; Lee, Hyun Ji; Hu, Qichi

    2014-10-21

    Complementary methods of high-resolution mass spectrometry and micro-spectroscopy were utilized for molecular analysis of secondary organic aerosol (SOA) generated from ozonolysis of two structural monoterpene isomers: D-limonene (LSOA) and a-pinene (PSOA). Laboratory simulated aging of LSOA and PSOA, through conversion of carbonyls into imines mediated by NH3 vapors in humid air, resulted in selective browning of the LSOA sample, while the PSOA sample remained white. Comparative analysis of the reaction products in the aged LSOA and PSOA samples provided insights into chemistry relevant to formation of brown carbon chromophores. A significant fraction of carbonyl-imine conversion products with identical molecular formulas were detected in both samples. This reflects the high level of similarity in the molecular composition of these two closely related SOA materials. Several highly conjugated products were detected exclusively in the brown LSOA sample and were identified as potential chromophores responsible for the observed color change. The majority of the unique products in the aged LSOA sample with the highest number of double bonds contain two nitrogen atoms. We conclude that chromophores characteristic of the carbonyl- imine chemistry in LSOA are highly conjugated oligomers of secondary imines (Schiff bases) present at relatively low concentrations. Formation of this type of conjugated compounds in PSOA is hindered by the structural rigidity of the a-pinene oxidation products. Our results suggest that the overall light-absorbing properties of SOA may be determined by trace amounts of strong brown carbon chromophores.

  1. Methanol conversion to hydrocarbons using modified clinoptilolite catalysts. Investigation of catalyst lifetime and reactivation

    Energy Technology Data Exchange (ETDEWEB)

    Hutchings, G J; Themistocleous, T; Copperthwaite, R G

    1988-10-17

    A study of the deactivation and reactivation of modified clinoptilolite catalysts for methanol conversion to hydrocarbons is reported. Clinoptilolite catalysts, modified by either ammonium ion exchange or hydrochloric acid treatment, exhibit a short useful catalyst lifetime for this reaction (ca. 2-3 h) due to a high rate of coke deposition (3-5.10/sup -3/ g carbon/g catalyst/h). A comparative study of reactivation using oxygen, nitrous oxide and ozone/oxygen as oxidants indicated that nitrous oxide reactivation gives improved catalytic performance when compared to the activity and lifetime of the fresh catalyst. Both oxygen and ozone/oxygen were found to be ineffective for the reactivation of clinoptilolite. Initial studies of in situ on-line reactivation are also described. 3 figs., 15 refs., 4 tabs.

  2. Effect of some colloid surfactants on spectrophotometric characteristics of metal chelates with chromophore organic reagents

    International Nuclear Information System (INIS)

    Chernova, R.K.

    1977-01-01

    Theoretical regularities and prospects of using surface active substances (SAS) in spectrophotometric determination of metal ions (including ions of rare-earth elements, transition metals, Be(3)) with chromophore chelating reagents were investigated. The chromophore reagents investigated were pyrocatechol violet, phenolcarboxylic acids of the triarylmethane series, fluorones, phthalexones and azo-compounds. As SAS certain long-chain quaternary ammonium and pyridinium salts (LQAS) were employed. From the results reported it follows that the introduction of LQAS in the system of Mesup(n+)-chromophore reagent is a rather effective method of enhancing the contrast rendition and, in some cases, the sensitivity and selectivity of the reagents. Explanations are suggested as to the factors which cause the changes observed in the contrast of the reactions in the presence of SAS; the underlying phenomena are the ligand-ligand interactions between the organic reagents and SAS and solubilization processes of the reaction products by the micelles of SAS

  3. Investigation and monitoring of a petroleum hydrocarbon plume in the Blue Ridge Physiographic Province of southwestern Virginia

    International Nuclear Information System (INIS)

    Risner, A.C.

    1995-01-01

    Petroleum was observed in a ditch between two bulk petroleum facilities in southwestern Virginia. Employees of an adjacent furniture factory reported to the local Hazardous Materials Team that petroleum fumes were present in factory buildings. A total of thirty seven soil borings and twenty four monitoring wells were installed and sampled. Field measurements indicated that liquid phase petroleum hydrocarbons were not present in the monitoring wells. Laboratory results from soil samples indicated total petroleum hydrocarbons as gasoline were present at concentrations as high as 1,000,000 micrograms per kilogram. Laboratory results of ground water sampling indicated concentrations of benzene as high as 3,100 micrograms per liter. Due to the urban location of the site, a secure public water source was available. Based on the availability of public water and the absence of liquid phase petroleum at the site, it was determined that the risk to human health from exposure to petroleum compounds was minimal. A Site Characterization Report was prepared to summarize site conditions and the information gathered during the site investigation. The report recommended ground water monitoring based on the lack of complete exposure pathways. The DEQ agreed with the recommendation for monitoring

  4. On-line probe for fast electrochemistry/electrospray mass spectrometry. Investigation of polycyclic aromatic hydrocarbons.

    Science.gov (United States)

    Xu, X; Lu, W; Cole, R B

    1996-12-01

    A newly invented probe accessory for fast electrochemistry/electrospray mass spectrometry (EC/ESMS) is presented and evaluated. The device features a low-volume, three-electrode electrochemical cell which has been designed with a minimum distance between the working electrode and the "Taylor cone" inherent to the electrospray process. This configuration limits the time between electrochemical generation of ions and mass spectrometric analysis to an absolute minimum. A fused-silica layer insulates the microcylinder working electrode from the sample solution until immediately prior to the electrospray region, postponing electrode processes until the last moment. The same fused-silica layer insulates the working electrode from the surrounding auxiliary electrode, a stainless steel capillary that also serves as the electrospray capillary. The performance and capabilities of the novel electrochemistry/electrospray mass spectrometry system have been evaluated using polycyclic aromatic hydrocarbons (PAHs) as test analytes. In the positive ion EC/ESMS mode, oxidized forms (one-electron removal) of PAHs are produced in high yield. The ability to analyze reaction products appearing subsequent to the initial oxidation is also demonstrated.

  5. Computational investigation of the effects of perfluorination on the charge-transport properties of polyaromatic hydrocarbons

    International Nuclear Information System (INIS)

    Cardia, R.; Malloci, G.; Bosin, A.; Serra, G.; Cappellini, G.

    2016-01-01

    We present a systematic computational study of the effects of perfluorination on the charge-transport properties of three homologous classes of polyaromatic hydrocarbons of interest for molecular electronics: acenes, pyrenes, and circumacenes. By means of Density Functional Theory calculations we first obtained the key molecular properties for transport of both holes and electrons. We then used these parameters in the framework of Marcus theory to compare charge-transfer rates in the high temperatures regime for both unsubstituted and perfluorinated molecules. We additionally estimated the relative charge-mobility of each unsubstituted (perfluorinated) molecule with respect to unsubstituted (perfluorinated) pentacene. We found in all cases that perfluorination reduces the charge-transfer rate in absolute terms. This is largely due to the higher values of the molecular reorganization energies predicted for perfluorinated compounds. Interestingly, however, the charge-transfer rates for both holes and electrons of perfluorinated species are remarkably similar, especially for the larger species. In addition, in the case of the larger circumacenes the charge-mobility values relative to pentacene values are found to increase upon perfluorination.

  6. Numerical investigation of CO2 storage in hydrocarbon field using a geomechanical-fluid coupling model

    Directory of Open Access Journals (Sweden)

    Guang Li

    2016-09-01

    Full Text Available Increasing pore pressure due to CO2 injection can lead to stress and strain changes of the reservoir. One of the safely standards for long term CO2 storage is whether stress and strain changes caused by CO2 injection will lead to irreversible mechanical damages of the reservoir and impact the integrity of caprock which could lead to CO2 leakage through previously sealing structures. Leakage from storage will compromise both the storage capacity and the perceived security of the project, therefore, a successful CO2 storage project requires large volumes of CO2 to be injected into storage site in a reliable and secure manner. Yougou hydrocarbon field located in Orods basin was chosen as storage site based on it's stable geological structure and low leakage risks. In this paper, we present a fluid pressure and stress-strain variations analysis for CO2 geological storage based on a geomechanical-fluid coupling model. Using nonlinear elasticity theory to describe the geomechanical part of the model, while using the Darcy's law to describe the fluid flow. Two parts are coupled together using the poroelasticity theory. The objectives of our work were: 1 evaluation of the geomechanical response of the reservoir to different CO2 injection scenarios. 2 assessment of the potential leakage risk of the reservoir caused by CO2 injection.

  7. Investigation on the Binding of Polycyclic AromaticHydrocarbons with Soil Organic Matter: A Theoretical Approach

    Directory of Open Access Journals (Sweden)

    Patchreenart Saparpakorn

    2007-04-01

    Full Text Available Polycyclic aromatic hydrocarbons (PAHs are ubiquitous contaminants of the terrestrial environment that have been designated as Environmental Protection Agency (EPA Priority Pollutants. In this study, molecular modeling was used to examine the physical and chemical characteristics of soil organic matter (SOM, fulvic acid (FA and humic acid (HA, as well as their binding interactions with PAHs. The molecular structures of 18 PAHs were built by using the SYBYL 7.0 program and then fully optimized by a semiempirical (AM1 method. A molecular docking program, AutoDock 3.05, was used to calculate the binding interactions between the PAHs, and three molecular structure models including FA (Buffle’s model, HA (Stevenson’s model and SOM (Schulten and Schnitzer’s model. The π-π interactions and H-bonding interactions were found to play an important role in the intermolecular bonding of the SOM/PAHs complexes. In addition, significant correlations between two chemical properties, boiling point (bp and octanol/water partition coefficient (Log Kow and final docking energies were observed. The preliminary docking results provided knowledge of the important binding modes to FA, HA and SOM, and thereby to predict the sorption behavior of PAHs and other pollutants.

  8. Computational investigation of the effects of perfluorination on the charge-transport properties of polyaromatic hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Cardia, R. [Università degli studi di Cagliari, Dipartimento di Fisica, Cittadella Universitaria, I-09042 Monserrato (Cagliari) (Italy); Istituto Officina dei Materiali (CNR – IOM), UOS di Cagliari, Cittadella Universitaria, I-09042 Monserrato, Cagliari (Italy); Malloci, G., E-mail: giuliano.malloci@dsf.unica.it [Università degli studi di Cagliari, Dipartimento di Fisica, Cittadella Universitaria, I-09042 Monserrato (Cagliari) (Italy); Bosin, A.; Serra, G. [Università degli studi di Cagliari, Dipartimento di Fisica, Cittadella Universitaria, I-09042 Monserrato (Cagliari) (Italy); Cappellini, G., E-mail: giancarlo.cappellini@dsf.unica.it [Università degli studi di Cagliari, Dipartimento di Fisica, Cittadella Universitaria, I-09042 Monserrato (Cagliari) (Italy); Istituto Officina dei Materiali (CNR – IOM), UOS di Cagliari, Cittadella Universitaria, I-09042 Monserrato, Cagliari (Italy)

    2016-10-20

    We present a systematic computational study of the effects of perfluorination on the charge-transport properties of three homologous classes of polyaromatic hydrocarbons of interest for molecular electronics: acenes, pyrenes, and circumacenes. By means of Density Functional Theory calculations we first obtained the key molecular properties for transport of both holes and electrons. We then used these parameters in the framework of Marcus theory to compare charge-transfer rates in the high temperatures regime for both unsubstituted and perfluorinated molecules. We additionally estimated the relative charge-mobility of each unsubstituted (perfluorinated) molecule with respect to unsubstituted (perfluorinated) pentacene. We found in all cases that perfluorination reduces the charge-transfer rate in absolute terms. This is largely due to the higher values of the molecular reorganization energies predicted for perfluorinated compounds. Interestingly, however, the charge-transfer rates for both holes and electrons of perfluorinated species are remarkably similar, especially for the larger species. In addition, in the case of the larger circumacenes the charge-mobility values relative to pentacene values are found to increase upon perfluorination.

  9. Dielectric Properties of Azo Polymers: Effect of the Push-Pull Azo Chromophores

    Directory of Open Access Journals (Sweden)

    Xuan Zhang

    2018-01-01

    Full Text Available The relationship between the structure and the dielectric properties of the azo polymers was studied. Four azo polymers were synthesized through the azo-coupling reaction between the same precursor (PAZ and diazonium salts of 4-aminobenzoic acid ethyl ester, 4-aminobenzonitrile, 4-nitroaniline, and 2-amino-5-nitrothiazole, respectively. The precursor and azo polymers were characterized by 1H NMR, FT-IR, UV-vis, GPC, and DSC. The dielectric constant and dielectric loss of the samples were measured in the frequency range of 100 Hz–200 kHz. Due to the existence of the azo chromophores, the dielectric constant of the azo polymers increases compared with that of the precursor. In addition, the dielectric constant of the azo polymers increases with the increase of the polarity of the azo chromophores. A random copolymer (PAZ-NT-PAZ composed of the azo polymer PAZ-NT and the precursor PAZ was also prepared to investigate the content of the azo chromophores on the dielectric properties of the azo polymers. It showed that the dielectric constant increases with the increase of the azo chromophores. The results show that the dielectric constant of this kind of azo polymers can be controlled by changing the structures and contents of azo chromophores during the preparation process.

  10. Tautomeric forms of PPI dendrimers functionalized with 4-(4′-ethoxybenzoyloxy)salicylaldehyde chromophores

    International Nuclear Information System (INIS)

    Franckevičius, M.; Vaišnoras, R.; Marcos, M.; Serrano, J.L.; Gruodis, A.; Galikova, N.; Gulbinas, V.

    2012-01-01

    Highlights: ► SA chromophore groups are formed by bonding terminal groups to PPI dendrimers. ► SA chromophore groups reveal four most stable tautomeric forms. ► Tautomeric properties of SA groups depend on the dendrimer generation and solvent. ► Aggregation of SA chromophores facilitates formation of the trans-keto tautomers. ► Fluorescence of PPI SA dendrimers is attributed to nπ ∗ states of keto tautomers. -- Abstract: Bonding of the promesogenic unit derived from 4-(4′-ethoxybenzoyloxy)salicylaldehyde to the amino terminated PPI dendrimer chains results in formation of the salicylidenimine chromophore groups. Absorption and fluorescence investigations of the dendrimer solutions supported by the quantum chemistry calculations revealed that the chromophore groups may exist in enol and keto tautomeric forms with relative concentrations depending on the dendrimer generation and solvent. The dendrimer fluorescence is attributed to nπ ∗ states of keto tautomers which may also be formed from excited enol tautomers.

  11. Quantitative analysis of valence photoemission spectra and quasiparticle excitations at chromophore-semiconductor interfaces.

    Science.gov (United States)

    Patrick, Christopher E; Giustino, Feliciano

    2012-09-14

    Investigating quasiparticle excitations of molecules on surfaces through photoemission spectroscopy forms a major part of nanotechnology research. Resolving spectral features at these interfaces requires a comprehensive theory of electron removal and addition processes in molecules and solids which captures the complex interplay of image charges, thermal effects, and configurational disorder. Here, we develop such a theory and calculate the quasiparticle energy-level alignment and the valence photoemission spectrum for the prototype biomimetic solar cell interface between anatase TiO(2) and the N3 chromophore. By directly matching our calculated photoemission spectrum to experimental data, we clarify the atomistic origin of the chromophore peak at low binding energy. This case study sets a new standard in the interpretation of photoemission spectroscopy at complex chromophore-semiconductor interfaces.

  12. Catalytic Reforming of Higher Hydrocarbon Fuels to Hydrogen: Process Investigations with Regard to Auxiliary Power Units

    OpenAIRE

    Kaltschmitt, Torsten

    2012-01-01

    This thesis discusses the investigation of the catalytic partial oxidation on rhodium-coated honeycomb catalysts with respect to the conversion of a model surrogate fuel and commercial diesel fuel into hydrogen for the use in auxiliary power units. Furthermore, the influence of simulated tail-gas recycling was investigated.

  13. On-site investigations of hydrocarbon contaminated soil by the Pollut-Eval methodology

    International Nuclear Information System (INIS)

    Benoit, Y.; Prigent, S.; Haeseler, F.

    2005-01-01

    The Pollut-Eval method is based on the Rock-Eval pyrolysis method, founded on an IFP patent that has been used for decades for oil prospecting in sedimentary basins all over the world. This equipment provides data on the quantity and the quality of organic matter in sedimentary rocks. With the increasing demand for cost effective and rapid contaminated site diagnosis, it became obvious that the field of application of the Rock-Eval technology should be enlarged to environmental problematic. The Pollut-Eval methodology was developed since 1996 and firstly qualified through the design of a laboratory version. Compared to the previous apparatus dedicated to the geochemistry, innovations allow acquisition of data for accurate quantification of complex organic pollutants and mineral carbon distribution. New methods were developed especially for the characterisation of hydrocarbon pollutants in soil. Compared to kerogen analysis, the characterisation of light petroleum cuts entrapped in soil as pollutants was available by the design of an adapted refrigerated auto-sampler. The prevention of the loss of the high vapour tension pollutants couldn't be avoided for the new environmental field of applications. Site after site, the various experiments involving the 'laboratory' version of the Pollut-Eval analyser extended the application field of the methodology. The efficiency of the thermal extraction applied directly on the soil showed useful advantages compared to conventional solvent extraction techniques, especially for pollutants originating from former gas plants. The method was especially suitable for the determination of the complete carbon mass balance in the case of non-extractable organic pollutant such as coal tar or for heavy petroleum cut such as heavy fuel, vacuum distillation residue and bitumen. By the way, the Pollut-Eval method became rapidly complementary to more conventional GC quantification dedicated to complex organic pollution characterisation. By the

  14. Aromatic hydrocarbons

    International Nuclear Information System (INIS)

    Roder, M.

    1985-01-01

    Papers dealing with radiolysis of aromatic hydrocarbons of different composition (from benzene to terphenyls and hydrocarbons with condensed rings) as well as their mixtures (with alkanes, alkenes, other aromatic hydrocarbons) are reviewed. High radiation stability of aromatic hydrocarbons in condensed phases associated with peculiarities of molecular structure of compounds is underlined. Mechanisms of radiolytic processes, vaues of product yields are considered

  15. An investigation into the activation and deactivation of chlorinated hydrocarbons to genotoxins in metabolically competent human cells.

    Science.gov (United States)

    Doherty, A T; Ellard, S; Parry, E M; Parry, J M

    1996-05-01

    We have investigated the induction of micronuclei by 15 chlorinated hydrocarbons in the cytochalasin B-blocked micronucleus assay utilizing genetically engineered cell lines. The human lymphoblastoid cell line AHH-1, with native cytochrome CYP1A1 activity, the MCL-5 cell line, which stably expresses cDNAs encoding human CYP1A2, 2A6, 3A4, 2E1 and microsomal epoxide hydrolase, and the h2E1 cell line, containing a cDNA for CYP2E1, were used in this study. We have demonstrated the induction of kinetochore-positive micronuclei by two chlorinated solvents, 2,3-dichlorobutane and 1,1, 2-trichloroethane, in the metabolically competent cell lines MCL-5 and h2E1. The MCL-5 and h2E1 cell lines have in addition shown the capacity to produce metabolites in the presence of methylene chloride, carbon tetrachloride, 1,2,3-trichloropropane, tetrachloroethylene, toluene and n-hexane, wich yield elevated micronucleus frequencies compared with the parental cell line AHH-1. Hexachloroethane failed to induce micronuclei in any of the cell lines and 1,2-dichloroethane and 1-chlorohexane induced micronuclei without the requirement for metabolic activation in all three cell lines. The MCL-5 cell line exhibited reduced micronucleus frequencies compared with the AHH-1 and h2E1 cell lines following exposure to 1,2-dichloroethylene, 1,3-dichloropropane, 1,1, 1-trichloroethane and 1,2,3-trichloropropane. The methodology used has shown the ability of metabolically competent cell lines expressing cDNAs encoding the cytochrome P450 isoenzymes to metabolize halogenated hydrocarbons to genotoxic species, including both clastogens and aneugens. The biotransformation of chemicals to aneugenic species has not previously been demonstrated.

  16. Molecular recognition of chromophore molecules to amine terminated surfaces

    International Nuclear Information System (INIS)

    Flores-Perez, Rosangelly; Ivanisevic, Albena

    2007-01-01

    We report the design and characterization of quartz surfaces that can bind to three retinal based chromophores. The amine terminated surfaces were engineered in order to mimic the environment of the opsin protein that accommodates binding of chromophore molecules in the human eye. Each surface coupling step was characterized by water contact angle measurements, ellipsometry, atomic force microscopy, X-ray photoelectron spectroscopy, and transmission infrared spectroscopy. The spectroscopic techniques confirmed that the three chromophore molecules can bind to the surface using a Schiff base mode. Our data suggests that the availability of the amine groups on the surface is critical in the accommodation of the binding of different chromophores

  17. The radiochemical purity of radiotracers as the criterion of their usefulness in investigations of hydrocarbons distillation

    International Nuclear Information System (INIS)

    Kolaczkowski, M.

    1976-01-01

    Among numerous analytic techniques of separation and analysis of radioactive products gas radiochromatography has proved to be particularly suitable. Organic bromides labelled with 82 Br-radionuclide are investigated. The analytic gas chromatographs equipped with appropriately constructed radiochromatographic attachments are used. The results of radiochemical purity determination of radiotracers are compared for various techniques. (author)

  18. Investigation of polycyclic aromatic hydrocarbons (PAHs) and cyclic terpenoid biomarkers in the sediments of fishing harbors in Taiwan

    International Nuclear Information System (INIS)

    Kao, Nien-Hsin; Su, Ming-Chien; Fan, Jheng-Rong; Yen, Chih-Chun

    2015-01-01

    Highlights: • Biomarkers in three fishing harbors were investigated and identified. • 17 terpanes, 10 steranes and 10 bicyclic sesquiterpanes were quantified. • Marine diesel and the three kinds of lubricants were studied. • The study can be applied to other harbors to identify oil products in sediments. - Abstract: Three fishing harbors were investigated to study the polycyclic aromatic hydrocarbons in the sediments and trace possible anthropogenic sources by identification of cyclic terpenoid biomarkers. Seventeen terpanes, 10 steranes and 10 bicyclic sesquiterpanes in the marine diesel and the three kinds of lubricants that are mainly used by fishing boats were identified and quantified. Eighteen biomarker diagnostic ratios are suggested and the correlation coefficients among the lubricants and sediment samples have the R 2 value greater than 0.73. Analyzed 16 PAHs in the sediment shows non-normal distributions and the Kruskal Wallis Test shows the significant differences (p value smaller than 0.05) with the greatest variability in benzo[g,h,i]perylene which more than 84% of the effective size (E.S.) is accounted. X-ray Photoelectron Spectroscopy (XPS) analysis was applied and the Kruskal Wallis Test shows a significant difference (p value smaller than 0.05) among certain atoms with the effective size greater than 60%

  19. Single oligomer spectra probe chromophore nanoenvironments of tetrameric fluorescent proteins

    NARCIS (Netherlands)

    Blum, Christian; Meixner, Alfred J; Subramaniam, Vinod

    2006-01-01

    When analyzing the emission of a large number of individual chromophores embedded in a matrix, the spread of the observed parameters is a characteristic property for the particular chromophore-matrix system. To quantitatively assess the influence of the matrix on the single molecule emission

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

    International Nuclear Information System (INIS)

    Tretiak, Sergei

    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

  1. Theoretical description of protein field effects on electronic excitations of biological chromophores

    International Nuclear Information System (INIS)

    Varsano, Daniele; Caprasecca, Stefano; Coccia, Emanuele

    2017-01-01

    Photoinitiated phenomena play a crucial role in many living organisms. Plants, algae, and bacteria absorb sunlight to perform photosynthesis, and convert water and carbon dioxide into molecular oxygen and carbohydrates, thus forming the basis for life on Earth. The vision of vertebrates is accomplished in the eye by a protein called rhodopsin, which upon photon absorption performs an ultrafast isomerisation of the retinal chromophore, triggering the signal cascade. Many other biological functions start with the photoexcitation of a protein-embedded pigment, followed by complex processes comprising, for example, electron or excitation energy transfer in photosynthetic complexes. The optical properties of chromophores in living systems are strongly dependent on the interaction with the surrounding environment (nearby protein residues, membrane, water), and the complexity of such interplay is, in most cases, at the origin of the functional diversity of the photoactive proteins. The specific interactions with the environment often lead to a significant shift of the chromophore excitation energies, compared with their absorption in solution or gas phase. The investigation of the optical response of chromophores is generally not straightforward, from both experimental and theoretical standpoints; this is due to the difficulty in understanding diverse behaviours and effects, occurring at different scales, with a single technique. In particular, the role played by ab initio calculations in assisting and guiding experiments, as well as in understanding the physics of photoactive proteins, is fundamental. At the same time, owing to the large size of the systems, more approximate strategies which take into account the environmental effects on the absorption spectra are also of paramount importance. Here we review the recent advances in the first-principle description of electronic and optical properties of biological chromophores embedded in a protein environment. We show

  2. Theoretical description of protein field effects on electronic excitations of biological chromophores

    Science.gov (United States)

    Varsano, Daniele; Caprasecca, Stefano; Coccia, Emanuele

    2017-01-01

    Photoinitiated phenomena play a crucial role in many living organisms. Plants, algae, and bacteria absorb sunlight to perform photosynthesis, and convert water and carbon dioxide into molecular oxygen and carbohydrates, thus forming the basis for life on Earth. The vision of vertebrates is accomplished in the eye by a protein called rhodopsin, which upon photon absorption performs an ultrafast isomerisation of the retinal chromophore, triggering the signal cascade. Many other biological functions start with the photoexcitation of a protein-embedded pigment, followed by complex processes comprising, for example, electron or excitation energy transfer in photosynthetic complexes. The optical properties of chromophores in living systems are strongly dependent on the interaction with the surrounding environment (nearby protein residues, membrane, water), and the complexity of such interplay is, in most cases, at the origin of the functional diversity of the photoactive proteins. The specific interactions with the environment often lead to a significant shift of the chromophore excitation energies, compared with their absorption in solution or gas phase. The investigation of the optical response of chromophores is generally not straightforward, from both experimental and theoretical standpoints; this is due to the difficulty in understanding diverse behaviours and effects, occurring at different scales, with a single technique. In particular, the role played by ab initio calculations in assisting and guiding experiments, as well as in understanding the physics of photoactive proteins, is fundamental. At the same time, owing to the large size of the systems, more approximate strategies which take into account the environmental effects on the absorption spectra are also of paramount importance. Here we review the recent advances in the first-principle description of electronic and optical properties of biological chromophores embedded in a protein environment. We show

  3. Investigation of the impacts of ethyl lactate based Fenton treatment on soil quality for polycyclic aromatic hydrocarbons (PAHs)-contaminated soils.

    Science.gov (United States)

    Gan, Suyin; Yap, Chiew Lin; Ng, Hoon Kiat; Venny

    2013-11-15

    This study aims to investigate the impacts of ethyl lactate (EL) based Fenton treatment on soil quality for polycyclic aromatic hydrocarbons (PAHs)-contaminated soils. Accumulation of oxygenated-polycyclic aromatic hydrocarbons (oxy-PAHs) was observed, but quantitative measurement on the most abundant compound 9,10-anthraquinone (ATQ) showed lower accumulation of the compound than that reported for ethanol (ET) based Fenton treatment. In general, as compared to conventional water (CW) based Fenton treatment, the EL based Fenton treatment exerted either a lower or higher negative impact on soil physicochemical properties depending on the property type and shared the main disadvantage of reduced soil pH. For revegetation, EL based Fenton treatment was most appropriately adopted for soil with native pH >/~ 6.2 in order to obtain a final soil pH >/~ 4.9 subject to the soil buffering capacity. Copyright © 2013 Elsevier B.V. All rights reserved.

  4. Reductive dechlorination of chlorinated hydrocarbons as non-aqueous phase liquid (NAPL): Preliminary investigation on effects of cement doses

    Energy Technology Data Exchange (ETDEWEB)

    Do, Si-Hyun, E-mail: sihyun2@hanyang.ac.kr [Department of Chemical Engineering, Hanyang University, Seoul 133-791 (Korea, Republic of); Batchelor, Bill [Zachry Department of Civil Engineering, Texas A and M University, College Station, TX 77843 (United States)

    2012-07-15

    The reactivities of various types of iron mixtures to degrade chlorinated hydrocarbons (PCE, TCE and 1,1,1-TCA) in the form of non-aqueous phase liquids were investigated. The iron mixtures included a mixture of Fe(II) and Portland cement (Fe(II)-C), a mixture of Fe(II), Fe(III) and Ca(OH){sub 2} (Fe(II/III)-L), and a mixture of Fe(II), Fe(III), Ca(OH){sub 2}, and Portland cement (Fe(II/III)-C). When the same amount of Fe(II) was used, Fe(II)-C was more reactive with chlorinated ethylenes (i.e. PCE and TCE) than Fe(II/III)-L. The reductive pathway for high concentrations of total PCE (i.e. above solubility) with Fe(II)-C was determined to be a combination of two-electron transfer, {beta}-elimination and hydrogenolysis. Increasing the cement dose from 5% to 10% in Fe(II)-C did not affect PCE dechlorination rates, but it did favor the {beta}-elimination pathway. In addition, when Fe(II/III)-C with 5%C was used, PCE dechlorination was similar to that by Fe(II)-C, but this mixture did not effectively degrade TCE. A modified second-order kinetic model was developed and shown to appropriately describe degradation of TCE at high concentrations. Fe(II/III)-L effectively degraded high concentrations of 1,1,1-TCA at rates that were similar to those obtained with Fe(II)-C using 10% C. Moreover, both increasing cement doses and the presence of Fe(III) increased dechlorination rates of 1,1,1-TCA, which was mainly through the hydrogenolysis pathway. The reactivity of Fe(II/III)-L was strongly dependent on the target compound (i.e. less reactivity with TCE, more with 1,1,1-TCA). Therefore, Fe(II/III)-L could be a potential mixture for degrading 1,1,1-TCA, but it should be modified to degrade TCE more effectively. - Highlights: Black-Right-Pointing-Pointer TCE yield indicated that PCE dechlorination was through hydrogenolysis and {beta}-elimination. Black-Right-Pointing-Pointer {beta}-elimination, especially PCE to dichloroacetylene, was favored with the higher cement doses. Black

  5. 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...

  6. Dual Mechanism Nonlinear Response of Selected Metal Organic Chromophores

    National Research Council Canada - National Science Library

    Peak, John D

    2007-01-01

    13 The goal for the research described herein is the development of a series of transition metal based metal organic chromophores that display both two-photon and excited state absorption (TPA/ESA) character...

  7. Synthesis and Properties of Novel T-Type Polyurethanes Containing 2,5-Dioxynitrostilbenyl Group as a Nonlinear Optical Chromophore

    International Nuclear Information System (INIS)

    Lee, Ju Yeon; Lee, Won Jung; Park, Eun Ju; Bang, Han Bae; Rhee, Bum Ku; Jung, Chang Soo; Lee, Seung Mook; Lee, Jin Hyun

    2003-01-01

    Two approaches to minimize the randomization have been proposed. One is to use crosslinking method and the other is to use high T g polymers such as polyimides. Polyurethane matrix forms extensive hydrogen bond between urethane linkage and increases rigidity preventing the relaxation of induced dipoles. In this work we prepared new T-type polyurethanes containing dioxynitrostilbenyl group as a NLO-chromophore. We selected 2,5-dioxynitrostilbenyl group as NLO-chromophore because it will have a large dipole moment and is rather easy to synthesize. Furthermore 2,5-dioxynitrostilbenyl group constitutes a novel T-type NLO polyurthanes, in which the NLO chromophores are parts of polymer backbones. These T-type NLO polyurethanes are not shown in the literature. After confirming the structure of the resulting polymers we investigated the properties such as T g and second harmonic generation (SHG) activity (d 33 ). We now report the results of the initial phase of the work

  8. Petroleum hydrocarbons

    International Nuclear Information System (INIS)

    Farrington, J.W.; Teal, J.M.; Parker, P.L.

    1976-01-01

    Methods for analysis of petroleum hydrocarbons in marine samples are presented. Types of hydrocarbons present and their origins are discussed. Principles and methods of analysis are outlined. Infrared spectrometry, uv spectrometry, gas chromatography, mass spectroscopy, and carbon 14 measurements are described

  9. Novel multi-chromophor light absorber concepts for DSSCs for efficient electron injection

    Energy Technology Data Exchange (ETDEWEB)

    Schuetz, Robert; Strothkaemper, Christian; Bartelt, Andreas; Hannappel, Thomas; Eichberger, Rainer [Helmholtz-Zentrum Berlin fuer Materialien und Energie, Hahn-Meitner-Platz 1, 14109 Berlin (Germany); Fasting, Carlo [Institut fuer Organische Chemie, Freie Universitaet Berlin, Takustrasse 3, 14195 Berlin (Germany); Thomas, Inara [Helmholtz-Zentrum Berlin fuer Materialien und Energie, Hahn-Meitner-Platz 1, 14109 Berlin (Germany); Institut fuer Organische Chemie, Freie Universitaet Berlin, Takustrasse 3, 14195 Berlin (Germany)

    2011-07-01

    Dye sensitized solar cells (DSSCs) operate by injecting electrons from the excited state of a light-harvesting dye into the continuum of conduction band states of a wide bandgap semiconductor. The light harvesting efficiency of pure organic dyes is limited by a narrow spectral electronic transition. A beneficial broad ground state absorption in the VIS region can be achieved by applying a single molecular dye system with multiple chromophors involving a Foerster resonance energy transfer (FRET) mechanism for an efficient electron injection. A model donor acceptor dye system capable for FRET chemically linked to colloidal TiO{sub 2} and ZnO nanorod surfaces was investigated in UHV environment. We used VIS/NIR femtosecond transient absorption spectroscopy and optical pump terahertz probe spectroscopy to study the charge injection dynamics of the antenna system. Different chromophors attached to a novel scaffold/anchor system connecting the organic absorber unit to the metal oxide semiconductor were probed.

  10. Photoabsorption of green and red fluorescent protein chromophore anions in vacuo.

    Science.gov (United States)

    Wan, Songbo; Liu, Shasha; Zhao, Guangjiu; Chen, Maodu; Han, Keli; Sun, Mengtao

    2007-09-01

    Photoabsorption properties of green and red fluorescent protein chromophore anions in vacuo were investigated theoretically, based on the experimental results in gas phase [Phys. Rev. Lett. 2001, 87, 228102; Phys. Rev. Lett. 2003, 90, 118103]. Their calculated transition energies in absorption with TD-DFT and ZINDO methods are directly compared to the experimental reports in gas phase, and the calculations with ZINDO method can correctly reproduce the absorption spectra. The orientation and strength of their transition dipole moments were revealed with transition density. We also showed the orientation and result of their intramolecular charge transfer with transition difference density. The calculated results show that with the increase of the extended conjugated system, the orientation of transition dipole moments and the orientation of charge transfer can be reversed. They are the linear responds with the external electric fields. These theoretical results reveal the insight understanding of the photoinduced dynamics of green and red fluorescent protein chromophore anions and cations in vacuo.

  11. Development of zwitterionic chromophores for electro-optic applications

    Science.gov (United States)

    Xiong, Ying

    In order to unlock the full potential of the zwitterionic NLO chromophores for electro-optic (EO) applications, a new series of PeQDM chromophores with large first hyperpolarizabilities (beta0 ˜ 600 x 10-30 esu) have been designed and synthesized. A large EO coefficient (r33) of 110 pm/V at 1550 nm has been realized with a 5 wt% (corresponding to 3.8 wt% core content) chromophore doped polymer. The EO study of guest-host polymers reveals that dipolar dye aggregation in a less polar medium is responsible for a low chromophore loading and low EO activity. Modification of NLO chromophore by attaching large dendrons can effectively increase the chromophore loading in a host and improve the poling efficiency. Crosslinkable NLO polymers have also been prepared to improve the temporal stability of the poled noncentrosymmetric order. The following are some important highlights from this thesis work. (1) A series of thermally stable zwitterionic chromophores (PeQDM) with large first hyperpolarizabilities (beta up to -1797 x 10-30 esu) are synthesized in good yields (˜ 50%). The charge-separated ground state is evident by a negative solvatochromism. X-ray crystallographic data further confirms the zwitterionic nature and demonstrates a face-to-face anti-parallel H-aggregation of two monomers due to strong electrostatic interactions between the dipoles. (2) PeQDM chromophores are also NIR fluorescent (lambdaPL ˜ 840-870 nm in solution) and labile to acid, making them potential candidates for NIR pH sensor applications. (3) The hydroxyl-containing PeQDM chromophores are modified with ES-dendron, which exhibit good solubility in solvents and polymers. Self-forming films can be prepared by direct casting or spin-coating of two dendrons modified chromophores (ES-PeQDM-2 and ES-PeQDM-3), in which the chromophore core contents reach 14.9 and 16.9 wt%, respectively. Compared to ES-PeQDM-2 with two dendrons only at the donor part (r33 = 0 pm/V), ES-PeQDM-3 with the bulky ES

  12. Dynamic Electron Correlation Effects on the Ground State Potential Energy Surface of a Retinal Chromophore Model.

    Science.gov (United States)

    Gozem, Samer; Huntress, Mark; Schapiro, Igor; Lindh, Roland; Granovsky, Alexander A; Angeli, Celestino; Olivucci, Massimo

    2012-11-13

    The ground state potential energy surface of the retinal chromophore of visual pigments (e.g., bovine rhodopsin) features a low-lying conical intersection surrounded by regions with variable charge-transfer and diradical electronic structures. This implies that dynamic electron correlation may have a large effect on the shape of the force fields driving its reactivity. To investigate this effect, we focus on mapping the potential energy for three paths located along the ground state CASSCF potential energy surface of the penta-2,4-dieniminium cation taken as a minimal model of the retinal chromophore. The first path spans the bond length alternation coordinate and intercepts a conical intersection point. The other two are minimum energy paths along two distinct but kinetically competitive thermal isomerization coordinates. We show that the effect of introducing the missing dynamic electron correlation variationally (with MRCISD) and perturbatively (with the CASPT2, NEVPT2, and XMCQDPT2 methods) leads, invariably, to a stabilization of the regions with charge transfer character and to a significant reshaping of the reference CASSCF potential energy surface and suggesting a change in the dominating isomerization mechanism. The possible impact of such a correction on the photoisomerization of the retinal chromophore is discussed.

  13. 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.

  14. Silica Supported Platinum Catalysts for Total Oxidation of the Polyaromatic Hydrocarbon Naphthalene: An Investigation of Metal Loading and Calcination Temperature

    Directory of Open Access Journals (Sweden)

    David R. Sellick

    2015-04-01

    Full Text Available A range of catalysts comprising of platinum supported on silica, prepared by an impregnation method, have been studied for the total oxidation of naphthalene, which is a representative Polycyclic Aromatic Hydrocarbon. The influence of platinum loading and calcination temperature on oxidation activity was evaluated. Increasing the platinum loading up to 2.5 wt.% increased the catalyst activity, whilst a 5.0 wt.% catalyst was slightly less active. The catalyst containing the optimum 2.5 wt.% loading was most active after calcination in air at 550 °C. Characterisation by carbon monoxide chemisorption and X-ray photoelectron spectroscopy showed that low platinum dispersion to form large platinum particles, in combination with platinum in metallic and oxidised states was important for high catalyst activity. Catalyst performance improved after initial use in repeat cycles, whilst there was slight deactivation after prolonged time-on-stream.

  15. Purifying hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Demoulins, H D; Garner, F H

    1923-02-07

    Hydrocarbon distillates, including natural gases and vapors produced by cracking hydrocarbon oils, are desulfurized etc. by treating the vapor with an aqueous alkaline solution of an oxidizing agent. The hydrocarbons may be previously purified by sulfuric acid. In examples aqueous solutions of sodium or calcium hydrochlorite containing 1.5 to 5.0 grams per liter of available chlorine and sufficient alkali to give an excess of 0.1 percent in the spent reagent are preheated to the temperature of the vapor, and either sprayed or atomized into the vapors near the outlet of the dephlegmator or fractionating tower, or passed in countercurrent to the vapors through one or a series of scrubbers.

  16. Investigation on thermo-acoustic instability dynamic characteristics of hydrocarbon fuel flowing in scramjet cooling channel based on wavelet entropy method

    Science.gov (United States)

    Zan, Hao; Li, Haowei; Jiang, Yuguang; Wu, Meng; Zhou, Weixing; Bao, Wen

    2018-06-01

    As part of our efforts to find ways and means to further improve the regenerative cooling technology in scramjet, the experiments of thermo-acoustic instability dynamic characteristics of hydrocarbon fuel flowing have been conducted in horizontal circular tubes at different conditions. The experimental results indicate that there is a developing process from thermo-acoustic stability to instability. In order to have a deep understanding on the developing process of thermo-acoustic instability, the method of Multi-scale Shannon Wavelet Entropy (MSWE) based on Wavelet Transform Correlation Filter (WTCF) and Multi-Scale Shannon Entropy (MSE) is adopted in this paper. The results demonstrate that the developing process of thermo-acoustic instability from noise and weak signals is well detected by MSWE method and the differences among the stability, the developing process and the instability can be identified. These properties render the method particularly powerful for warning thermo-acoustic instability of hydrocarbon fuel flowing in scramjet cooling channels. The mass flow rate and the inlet pressure will make an influence on the developing process of the thermo-acoustic instability. The investigation on thermo-acoustic instability dynamic characteristics at supercritical pressure based on wavelet entropy method offers guidance on the control of scramjet fuel supply, which can secure stable fuel flowing in regenerative cooling system.

  17. An experimental investigation into the formation of polycyclic-aromatic hydrocarbons (PAH) from pyrolysis of biomass materials

    Energy Technology Data Exchange (ETDEWEB)

    McGrath, T.; Sharma, R.; Hajaligol, M. [Philip Morris USA, Richmond, VA (United States). Research Center

    2001-10-09

    The formation of polycyclic-aromatic hydrocarbons (PAH) from the pyrolysis of cellulose, pectin and chlorogenic acid was studied. The primary product, mostly primary volatile tar, was exposed to a higher thermal severity i.e. high temperatures and long residence times. The reactor setup consisted of a quartz tube with two zones, zone I and II, each heated and controlled separately. Zone I was used to first pyrolyse the substrate at 300{degree}C to produce a low temperature tar (LTT) as well as to pyrolyse the product char at 600{degree}C to produce a high temperature tar (HTT). The LTT and HTT were then subjected to a high thermal severity in the second zone (zone II) where the temperature was varied between 700 and 850{degree}C. The residence time of the volatiles in zone II was varied between ca. 90 and 1400 ms (calculated at 800{degree}C). The results show that the yield of most PAHs increased with temperature, except in a few cases where the yield of two- and three-ring PAHs exhibited a maximum. PAHs yields also generally increased as the residence time was increased from 90 to 1400 ms at 800{degree}C. 19 refs., 9 figs., 2 tabs.

  18. Investigations on the Structure Tectonics, Geophysics, Geochemistry, and Hydrocarbon Potential of the Black Mesa Basin, Northeastern Arizona

    Energy Technology Data Exchange (ETDEWEB)

    Barker, Colin; Carroll, Herbert; Erickson, Richard; George, Steve; Guo, Genliang; Reeves,T.K.; Sharma, Bijon; Szpakiewicz, Michael; Volk, Len

    1999-04-27

    The U.S. Department of Energy (DOE) has instituted a basin-analysis study program to encourage drilling in underexplored and unexplored areas and increase discovery rates for hydrocarbons by independent oil companies within the continental United States. The work is being performed at the DOE's National Institute for Petroleum and Energy Research (NIPER) in Bartlesville, Oklahoma, by the Exploration and Drilling Group within BDM-Oklahoma (BDM), the manager of the facility for DOE. Several low-activity areas in the Mid-Continent, west, and southwest were considered for the initial study area (Reeves and Carroll 1994a). The Black Mesa region in northwestern Arizona is shown on the U.S. Geological Survey 1995 oil and gas map of the United States as an undrilled area, adapted from Takahashi and Gautier 1995. This basin was selected by DOE s the site for the initial NIPER-BDM survey to develop prospects within the Lower-48 states (Reeves and Carroll 1994b).

  19. Investigation of ethyl lactate as a green solvent for desorption of total petroleum hydrocarbons (TPH) from contaminated soil.

    Science.gov (United States)

    Jalilian Ahmadkalaei, Seyedeh Pegah; Gan, Suyin; Ng, Hoon Kiat; Abdul Talib, Suhaimi

    2016-11-01

    Treatment of oil-contaminated soil is a major environmental concern worldwide. The aim of this study is to examine the applicability of a green solvent, ethyl lactate (EL), in desorption of diesel aliphatic fraction within total petroleum hydrocarbons (TPH) in contaminated soil and to determine the associated desorption kinetics. Batch desorption experiments were carried out on artificially contaminated soil at different EL solvent percentages (%). In analysing the diesel range of TPH, TPH was divided into three fractions and the effect of solvent extraction on each fraction was examined. The experimental results demonstrated that EL has a high and fast desorbing power. Pseudo-second order rate equation described the experimental desorption kinetics data well with correlation coefficient values, R 2 , between 0.9219 and 0.9999. The effects of EL percentage, initial contamination level of soil and liquid to solid ratio (L/S (v/w)) on initial desorption rate have also been evaluated. The effective desorption performance of ethyl lactate shows its potential as a removal agent for remediation of TPH-contaminated soil worldwide.

  20. Facile attachment of nonlinear optical chromophores to polycarbonates

    NARCIS (Netherlands)

    Faccini, M.; Balakrishnan, M.; Torosantucci, Riccardo; Driessen, A.; Reinhoudt, David; Verboom, Willem

    2008-01-01

    A versatile, generally applicable synthetic methodology for side-chain NLO polycarbonates was developed. This represents the first example of covalent incorporation of NLO chromophores to a prepolymerized polycarbonate backbone. This methodology allows to adjust the polymer backbone structure and to

  1. Single Oligomer Spectra Probe Chromophore Nanoenvironments of Tetrameric Fluorescent Proteins

    NARCIS (Netherlands)

    Blum, Christian; Meixner, Alfred J.; Subramaniam, Vinod

    2006-01-01

    When analyzing the emission of a large number of individual chromophores embedded in a matrix, the spread of the observed parameters is a characteristic property for the particular chromophore−matrix system. To quantitatively assess the influence of the matrix on the single molecule emission

  2. Investigating Susceptibility to Diabetes Using Features of the Adipose Tissue in Response to In Utero Polycyclic Aromatic Hydrocarbons Exposure

    Directory of Open Access Journals (Sweden)

    Worlanyo E. Gato

    2016-08-01

    Full Text Available BackgroundIn recent times, there has been an increase in the incidence of type 2 diabetes mellitus (T2DM particularly in children. Adipocyte dysfunction provide a critical link between obesity and insulin resistance resulting in diabetes outcome. Further, environmental chemical exposure during early years of life might be a significant contributing factor to the increase in the incidence of T2DM. This study tests the idea that exposure to environmental contaminants (2-aminoanthracene [2AA] in utero will show effects in the adipose tissue (AT that signify T2DM vulnerability. 2AA is a polycyclic aromatic hydrocarbon found in a variety of products.MethodsTo accomplish the study objective, pregnant dams were fed various amounts of 2AA adulterated diets from gestation through postnatal period. The neonates and older offspring were analyzed for diabetic-like genes in the ATs and analysis of serum glucose. Furthermore, weight monitoring, histopathology and immunohistochemical (IHC staining for CD68 in AT, adipocyte size determination and adiponectin amounts in serum were undertaken.ResultsUp-regulation of adiponectin and interleukin-6 genes were noted in the pups and older rats. Combination of intrauterine 2AA toxicity with moderate high fat diet exhibited gene expression patterns similar to those of the neonates. Elevated serum glucose levels were noted in treated groups. IHC of the AT indicated no significant malformations; however, CD68+ cells were greater in the animals treated to 2AA. Similarly, mean sizes of the adipocytes were larger in treated and combined 2AA and moderate high fat animals. Adiponectin was reduced in 2AA groups.ConclusionFrom the preceding, it appears intrauterine 2AA disturbance, when combined with excess fat accumulation will lead to greater risk for the diabetic condition.

  3. Investigating the Influence of Mesoporosity in Zeolite Beta on its Catalytic Performance for the Conversion of Methanol to Hydrocarbons

    KAUST Repository

    Liu, Zhaohui

    2015-08-26

    Hierarchically porous zeolite Beta (Beta-MS) synthesized by a soft-templating method contains remarkable intra-crystalline mesoporosity, which reduces the diffusion length in zeolite channels down to several nanometers and alters the distribution of Al among distinct crystallographic sites. When used as a catalyst for the conversion of methanol to hydrocarbons (MTH) at 330 oC, Beta-MS exhibited a 2.7-fold larger conversion capacity, a 2.0-fold faster reaction rate, and a remarkably longer lifetime than conventional zeolite Beta (Beta-C). The superior catalytic performance of Beta-MS is attributed to its hierarchical structure, which offers full accessibility to all catalytic active sites. In contrast, Beta-C was easily deactivated because a layer of coke quickly deposited on the outer surfaces of the catalyst crystals, impeding access to interior active sites. This difference is clearly demonstrated by using electron microscopy combined with electron energy loss spectroscopy to probe the distribution of coke in the deactivated catalysts. At both low and high conversions, ranging from 20% to 100%, Beta-MS gave higher selectivity towards higher aliphatics (C4-C7) but lower ethene selectivity compared to Beta-C. Therefore, we conclude that a hierarchical structure decreases the residence time of methylbenzenes in zeolite micropores, disfavoring the propagation of the aromatic-based catalytic cycle. This conclusion is consistent with a recent report on ZSM-5 and is also strongly supported by our analysis of soluble coke species residing in the catalysts. Moreover, we identified an oxygen-containing compound, 4-methyl-benzaldehyde, in the coke, which has not been observed in the MTH reaction before.  

  4. Investigating the Influence of Mesoporosity in Zeolite Beta on its Catalytic Performance for the Conversion of Methanol to Hydrocarbons

    KAUST Repository

    Liu, Zhaohui; Dong, Xinglong; Zhu, Yihan; Emwas, Abdul-Hamid M.; Zhang, Daliang; Tian, Qiwei; Han, Yu

    2015-01-01

    Hierarchically porous zeolite Beta (Beta-MS) synthesized by a soft-templating method contains remarkable intra-crystalline mesoporosity, which reduces the diffusion length in zeolite channels down to several nanometers and alters the distribution of Al among distinct crystallographic sites. When used as a catalyst for the conversion of methanol to hydrocarbons (MTH) at 330 oC, Beta-MS exhibited a 2.7-fold larger conversion capacity, a 2.0-fold faster reaction rate, and a remarkably longer lifetime than conventional zeolite Beta (Beta-C). The superior catalytic performance of Beta-MS is attributed to its hierarchical structure, which offers full accessibility to all catalytic active sites. In contrast, Beta-C was easily deactivated because a layer of coke quickly deposited on the outer surfaces of the catalyst crystals, impeding access to interior active sites. This difference is clearly demonstrated by using electron microscopy combined with electron energy loss spectroscopy to probe the distribution of coke in the deactivated catalysts. At both low and high conversions, ranging from 20% to 100%, Beta-MS gave higher selectivity towards higher aliphatics (C4-C7) but lower ethene selectivity compared to Beta-C. Therefore, we conclude that a hierarchical structure decreases the residence time of methylbenzenes in zeolite micropores, disfavoring the propagation of the aromatic-based catalytic cycle. This conclusion is consistent with a recent report on ZSM-5 and is also strongly supported by our analysis of soluble coke species residing in the catalysts. Moreover, we identified an oxygen-containing compound, 4-methyl-benzaldehyde, in the coke, which has not been observed in the MTH reaction before.  

  5. Purifying hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Dunstan, A E

    1918-06-03

    Ligroin, kerosene, and other distillates from petroleum and shale oil, are purified by treatment with a solution of a hypochlorite containing an excess of alkali. The hydrocarbon may be poured into brine, the mixture stirred, and an electric current passed through. Heat may be applied.

  6. Modeling photoabsorption of the asFP595 chromophore.

    Science.gov (United States)

    Bravaya, Ksenia B; Bochenkova, Anastasia V; Granovsky, Alexander A; Savitsky, Alexander P; Nemukhin, Alexander V

    2008-09-18

    The fluorescent protein asFP595 is a promising photoswitchable biomarker for studying processes in living cells. We present the results of a high level theoretical study of photoabsorption properties of the model asFP595 chromophore molecule in biologically relevant protonation states: anionic, zwitterionic, and neutral. Ground state equilibrium geometry parameters are optimized in the PBE0/(aug)-cc-pVDZ density functional theory approximation. An augmented version of multiconfigurational quasidegenerate perturbation theory (aug-MCQDPT2) following the state-averaged CASSCF/(aug)-cc-pVDZ calculations is used to estimate the vertical S0-S1 excitation energies for all chromophore species. An accuracy of this approach is validated by comparing the computed estimates of the S0-S1 absorption maximum of the closely related chromophore from the DsRed protein to the known experimental value in the gas phase. An influence of the CASSCF active space on the aug-MCQDPT2 excitation energies is analyzed. The zwitterionic form of the asFP595 chromophore is found to be the most sensitive to a particular choice and amount of active orbitals. This observation is explained by the charge-transfer type of the S0-S1 transition involving the entire conjugated pi-electron system for the zwitterionic protonation state. According to the calculation results, the anionic form in the trans conformation is found to possess the most red-shifted absorption band with the maximum located at 543 nm. The bands of the zwitterionic and neutral forms are considerably blue-shifted compared to those of the anionic form. These conclusions are at variance with the results obtained in the TDDFT approximation for the asFP595 chromophore. The absorption wavelengths computed in the aug-MCQDPT2/CASSCF theory are as follows: 543 (535), 470 (476), and 415 (417) nm for the anionic, zwitterionic, and neutral forms of the trans and cis (in parentheses) isomers of the asFP595 chromophore. These data can be used as a

  7. The gecko visual pigment: the chromophore dark exchange reaction.

    Science.gov (United States)

    Crescitelli, F

    1988-02-01

    This study confirms the occurrence of a dark-exchange reaction in the extracted 521-pigment of the Tokay gecko (G. gekko). The present study involved the exchange, in the dark, of the natural 11-cis-chromophore by the 9-cis-10-F-retinal analog. This analog is able to combine with the 521-opsin to regenerate a photopigment at 492 nm. In addition to this shift in absorbance from 521 to 492 nm, the analog photopigment has a photosensitivity some 2.4% that of the native 521-system in the chloride-sufficient state. These two properties of the regenerated analog pigment have simplified the demonstration of a dark exchange of chromophores. At 15 degrees C the 9-cis-10-F-analog replaces the 11-cis-chromophore by at least 30% (density-wise) in about 15 hr. This exchange occurs with the system in the chloride-deficient state. The presence of chloride during the period in the dark significantly reduces the magnitude of the exchange. Apparently, the protein has a more open structure at the chromophoric binding site, allowing this interchange of chromophores. The addition of chloride induces a conformational change at this site, 'burying' the Schiff base and reducing the exchange reaction. The biological implication of this mobile property of the gecko opsin is that it is similar to the behavior of the cone pigment iodopsin but is unlike that of rhodopsins. This supports the idea that the gecko visual cells, despite their appearance as rods, are phylogenetically related to ancestral photopic receptors.

  8. Parametric Investigation of the Isothermal Kinetics of Growth of Graphene on a Nickel Catalyst in the Process of Chemical Vapor Deposition of Hydrocarbons

    Science.gov (United States)

    Futko, S. I.; Shulitskii, B. G.; Labunov, V. A.; Ermolaeva, E. M.

    2016-11-01

    A kinetic model of isothermal synthesis of multilayer graphene on the surface of a nickel foil in the process of chemical vapor deposition, on it, of hydrocarbons supplied in the pulsed regime is considered. The dependences of the number of graphene layers formed and the time of their growth on the temperature of the process, the concentration of acetylene, and the thickness of the nickel foil were calculated. The regime parameters of the process of chemical vapor deposition, at which single-layer graphene and bi-layer graphene are formed, were determined. The dynamics of growth of graphene domains at chemical-vapor-deposition parameters changing in wide ranges was investigated. It is shown that the time dependences of the rates of growth of single-layer graphene and bi-layer graphene are nonlinear in character and that they are determined by the kinetics of nucleation and growth of graphene and the diffusion flow of carbon atoms in the nickel foil.

  9. On the mechanism of non-radiative decay of blue fluorescent protein chromophore: New insight from the excited-state molecular dynamics simulations and potential energy calculations

    Science.gov (United States)

    Zhao, Li; Liu, Jian-Yong; Zhou, Pan-Wang

    2017-11-01

    A detailed theoretical investigation based on the ab initio on-the-fly surface hopping dynamics simulations and potential energy surfaces calculations has been performed to unveil the mechanism of the photoinduced non-adiabatic relaxation process of the isolated blue fluorescent protein (BFP) chromophore in gas phase. The data analysis presents that the dominant reaction coordinate of the BFP chromophore is driven by a rotation motion around the CC double bridging bond, which is in remarkable difference with a previous result which supports a Hula-Twist rotation pattern. Such behavior is consistent with the double bond rotation pattern of the GFP neutral chromophore. In addition, the dynamics simulations give an estimated decay time of 1.1 ps for the S1 state, which is agrees well with the experimental values measured in proteins. The present work offers a straightforward understanding for the decay mechanism of the BFP chromophore and suggestions of the photochemical properties of analogous protein chromophores. We hope the current work would be helpful for further exploration of the BFP photochemical and photophysical properties in various environments, and can provide guidance and prediction for rational design of the fluorescent proteins catering for different demands.

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

    OpenAIRE

    Zhang, X. Y.; 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...

  11. Gas phase absorption studies of photoactive yellow protein chromophore derivatives.

    Science.gov (United States)

    Rocha-Rinza, Toms; Christiansen, Ove; Rajput, Jyoti; Gopalan, Aravind; Rahbek, Dennis B; Andersen, Lars H; Bochenkova, Anastasia V; Granovsky, Alexander A; Bravaya, Ksenia B; Nemukhin, Alexander V; Christiansen, Kasper Lincke; Nielsen, Mogens Brøndsted

    2009-08-27

    Photoabsorption spectra of deprotonated trans p-coumaric acid and two of its methyl substituted derivatives have been studied in gas phase both experimentally and theoretically. We have focused on the spectroscopic effect of the location of the two possible deprotonation sites on the trans p-coumaric acid which originate to either a phenoxide or a carboxylate. Surprisingly, the three chromophores were found to have the same absorption maximum at 430 nm, in spite of having different deprotonation positions. However, the absorption of the chromophore in polar solution is substantially different for the distinct deprotonation locations. We also report on the time scales and pathways of relaxation after photoexcitation for the three photoactive yellow protein chromophore derivatives. As a result of these experiments, we could detect the phenoxide isomer within the deprotonated trans p-coumaric acid in gas phase; however, the occurrence of the carboxylate is uncertain. Several computational methods were used simultaneously to provide insights and assistance in the interpretation of our experimental results. The calculated excitation energies S(0)-S(1) are in good agreement with experiment for those systems having a negative charge on a phenoxide moiety. Although our augmented multiconfigurational quasidegenerate perturbation theory calculations agree with experiment in the description of the absorption spectrum of anions with a carboxylate functional group, there are some puzzling disagreements between experiment and some calculational methods in the description of these systems.

  12. Structural control of side-chain chromophores to achieve highly efficient electro-optic activity.

    Science.gov (United States)

    Yang, Yuhui; Chen, Zhuo; Liu, Jialei; Xiao, Hongyan; Zhen, Zhen; Liu, Xinhou; Jiang, Guohua

    2017-05-10

    A series of chromophores J1-J4 have been synthesized based on julolidine donors modified with different rigid steric hindrance groups. Compared with the chromophore (J1) without the isolation group, chromophores J2, J3 and J4 show better stability. Structural analysis and photophysical property measurements were carried out to compare the molecular mobility and steric hindrance effect of the different donor-modified chromophores. All of these chromophores with isolation groups showed superb thermal stabilities with high thermal decomposition temperatures above 250 °C. Furthermore, with rigid steric hindrance, chromophores J3 and J4 showed more enhanced thermal stabilities with thermal decomposition temperatures of 269 °C and 275 °C, respectively. Density functional theory was used to calculate the hyperpolarizability (β), and the high molecular hyperpolarizability of these chromophores can be effectively translated into large electro-optic coefficients. The electro-optic coefficients of poled films containing 20 wt% of these new chromophores doped in amorphous polycarbonate were 127, 266 and 209 pm V -1 at 1310 nm for chromophores J1-J3, respectively, while the film containing chromophore J4 showed the largest r 33 value of only 97 pm V -1 at 25 wt%. These results indicated that the introduced isolation group can reduce intermolecular electrostatic interactions, thus enhancing the macroscopic electro-optic activity, while the size of the isolation group should be suitable.

  13. Cracking hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Forwood, G F; Lane, M; Taplay, J G

    1921-10-07

    In cracking and hydrogenating hydrocarbon oils by passing their vapors together with steam over heated carbon derived from shale, wood, peat or other vegetable or animal matter, the gases from the condenser are freed from sulfuretted hydrogen, and preferably also from carbon dioxide, and passed together with oil vapors and steam through the retort. Carbon dioxide may be removed by passage through slaked lime, and sulfuretted hydrogen by means of hydrated oxide of iron. Vapors from high-boiling oils and those from low-boiling oils are passed alternately through the retort, so that carbon deposited from the high-boiling oils is used up during treatment of low-boiling oils.

  14. Distilling hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Bataafsche, N V; de Brey, J H.C.

    1918-10-30

    Hydrocarbons containing a very volatile constituent and less volatile constituents, such as casing-head gases, still gases from the distillation of crude petroleum and bituminous shale are separated into their constituents by rectification under pressure; a pressure of 20 atmospheres and limiting temperatures of 150/sup 0/C and 40/sup 0/C are mentioned as suitable. The mixture may be subjected to a preliminary treatment consisting in heating to a temperature below the maximum rectification temperature at a pressure greater than that proposed to be used in the rectification.

  15. Theoretical study of chromophores for biological sensing: Understanding the mechanism of rhodol based multi-chromophoric systems

    Science.gov (United States)

    Rivera-Jacquez, Hector J.; Masunov, Artëm E.

    2018-06-01

    Development of two-photon fluorescent probes can aid in visualizing the cellular environment. Multi-chromophore systems display complex manifolds of electronic transitions, enabling their use for optical sensing applications. Time-Dependent Density Functional Theory (TDDFT) methods allow for accurate predictions of the optical properties. These properties are related to the electronic transitions in the molecules, which include two-photon absorption cross-sections. Here we use TDDFT to understand the mechanism of aza-crown based fluorescent probes for metals sensing applications. Our findings suggest changes in local excitation in the rhodol chromophore between unbound form and when bound to the metal analyte. These changes are caused by a charge transfer from the aza-crown group and pyrazol units toward the rhodol unit. Understanding this mechanism leads to an optimized design with higher two-photon excited fluorescence to be used in medical applications.

  16. LDRD final report : energy conversion using chromophore-functionalized carbon nanotubes.

    Energy Technology Data Exchange (ETDEWEB)

    Vance, Andrew L.; Zifer, Thomas; Zhou, Xinjian; Leonard, Francois Leonard; Wong, Bryan Matthew; Kane, Alexander; Katzenmeyer, Aaron Michael; Krafcik, Karen Lee

    2010-09-01

    With the goal of studying the conversion of optical energy to electrical energy at the nanoscale, we developed and tested devices based on single-walled carbon nanotubes functionalized with azobenzene chromophores, where the chromophores serve as photoabsorbers and the nanotube as the electronic read-out. By synthesizing chromophores with specific absorption windows in the visible spectrum and anchoring them to the nanotube surface, we demonstrated the controlled detection of visible light of low intensity in narrow ranges of wavelengths. Our measurements suggested that upon photoabsorption, the chromophores isomerize to give a large change in dipole moment, changing the electrostatic environment of the nanotube. All-electron ab initio calculations were used to study the chromophore-nanotube hybrids, and show that the chromophores bind strongly to the nanotubes without disturbing the electronic structure of either species. Calculated values of the dipole moments supported the notion of dipole changes as the optical detection mechanism.

  17. Photoresponse of the protonated Schiff-base retinal chromophore in the gas phase

    DEFF Research Database (Denmark)

    Toker, Jonathan; Rahbek, Dennis Bo; Kiefer, H V

    2013-01-01

    The fragmentation, initiated by photoexcitation as well as collisionally-induced excitation, of several retinal chromophores was studied in the gas phase. The chromophore in the protonated Schiff-base form (RPSB), essential for mammalian vision, shows a remarkably selective photoresponse. The sel......The fragmentation, initiated by photoexcitation as well as collisionally-induced excitation, of several retinal chromophores was studied in the gas phase. The chromophore in the protonated Schiff-base form (RPSB), essential for mammalian vision, shows a remarkably selective photoresponse...... modifications of the chromophore. We propose that isomerizations play an important role in the photoresponse of gas-phase retinal chromophores and guide internal conversion through conical intersections. The role of protein interactions is then to control the specificity of the photoisomerization in the primary...

  18. Ferrocene-quinoxaline Y-shaped chromophores as fascinating second-order NLO building blocks for long lasting highly active SHG polymeric films.

    Science.gov (United States)

    Senthilkumar, Kabali; Thirumoorthy, Krishnan; Dragonetti, Claudia; Marinotto, Daniele; Righetto, Stefania; Colombo, Alessia; Haukka, Matti; Palanisami, Nallasamy

    2016-07-26

    The first example of a Y-shaped ferrocene quinoxaline derivative with a surprisingly high and stable second harmonic generation (SHG) response in composite polymeric films is reported. The interesting quadratic hyperpolarizability values of different substituted Y-shaped chromophores are also investigated in solution by the EFISH technique.

  19. Investigation of the presence of toxic components of petroleum hydrocarbons in Guanabara Bay, Brazil following the 2000 PETROBRAS fuel oil spill

    Energy Technology Data Exchange (ETDEWEB)

    Romao, Catia Maria [Instituto Brasileiro do Meio Ambiente e dos Recursos Naturais Renovaveis (IBAMA), Rio de Janeiro, RJ (Brazil). Escritorio de Licenciamento de Petroleo e Nuclear; Vleet, Edward S. Van

    2003-07-01

    On January 18, 2000, approximately 340,000 gallons of marine fuel 380 oil were released into Guanabara Bay, Rio de Janeiro, Brazil, as a consequence of a pipeline transfer accident at the Duque de Caxias Refinery (PETROBRAS). Two years after the spill, the present investigation (sponsored by Center for Disaster Management and Humanitarian Assistance - College of Public Health - University of South Florida) was conducted to assess the levels of Polycyclic Aromatic Hydrocarbons (PAHs) on samples of water, sediments and edible tissue of the fishes (Mullet - Mugilliza and Croaker - Micropogonias furnieri) collected using two types of device (nets and fish traps) from the spill area in July and August 2002. The fishes samples collected in both months were considered to range from being not contaminated to being moderately contaminated by PAHs. Among all the sediments, only one (Point 10, July 2002) showed a total PAH concentration representing highly contaminated conditions. Except for Point 10, all other sediments could be considered minimally to moderately contaminated. Dissolved PAH concentrations found in the water samples were considered to range from minimally to moderately contaminated. (author)

  20. First-principles investigation on the electronic efficiency and binding energy of the contacts formed by graphene and poly-aromatic hydrocarbon anchoring groups

    Energy Technology Data Exchange (ETDEWEB)

    Li, Yang; Tu, Xingchen; Wang, Hao; Hou, Shimin, E-mail: smhou@pku.edu.cn [Centre for Nanoscale Science and Technology, Key Laboratory for the Physics and Chemistry of Nanodevices, Department of Electronics, Peking University, Beijing 100871 (China); Sanvito, Stefano [School of Physics, AMBER and CRANN Institute, Trinity College, Dublin 2 (Ireland)

    2015-04-28

    The electronic efficiency and binding energy of contacts formed between graphene electrodes and poly-aromatic hydrocarbon (PAH) anchoring groups have been investigated by the non-equilibrium Green’s function formalism combined with density functional theory. Our calculations show that PAH molecules always bind in the interior and at the edge of graphene in the AB stacking manner, and that the binding energy increases following the increase of the number of carbon and hydrogen atoms constituting the PAH molecule. When we move to analyzing the electronic transport properties of molecular junctions with a six-carbon alkyne chain as the central molecule, the electronic efficiency of the graphene-PAH contacts is found to depend on the energy gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) of the corresponding PAH anchoring group, rather than its size. To be specific, the smaller is the HOMO-LUMO gap of the PAH anchoring group, the higher is the electronic efficiency of the graphene-PAH contact. Although the HOMO-LUMO gap of a PAH molecule depends on its specific configuration, PAH molecules with similar atomic structures show a decreasing trend for their HOMO-LUMO gap as the number of fused benzene rings increases. Therefore, graphene-conjugated molecule-graphene junctions with high-binding and high-conducting graphene-PAH contacts can be realized by choosing appropriate PAH anchor groups with a large area and a small HOMO-LUMO gap.

  1. First-principles investigation on the electronic efficiency and binding energy of the contacts formed by graphene and poly-aromatic hydrocarbon anchoring groups

    KAUST Repository

    Li, Yang; Tu, Xingchen; Wang, Hao; Sanvito, Stefano; Hou, Shimin

    2015-01-01

    © 2015 AIP Publishing LLC. The electronic efficiency and binding energy of contacts formed between graphene electrodes and poly-aromatic hydrocarbon (PAH) anchoring groups have been investigated by the non-equilibrium Green's function formalism combined with density functional theory. Our calculations show that PAH molecules always bind in the interior and at the edge of graphene in the AB stacking manner, and that the binding energy increases following the increase of the number of carbon and hydrogen atoms constituting the PAH molecule. When we move to analyzing the electronic transport properties of molecular junctions with a six-carbon alkyne chain as the central molecule, the electronic efficiency of the graphene-PAH contacts is found to depend on the energy gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) of the corresponding PAH anchoring group, rather than its size. To be specific, the smaller is the HOMO-LUMO gap of the PAH anchoring group, the higher is the electronic efficiency of the graphene-PAH contact. Although the HOMO-LUMO gap of a PAH molecule depends on its specific configuration, PAH molecules with similar atomic structures show a decreasing trend for their HOMO-LUMO gap as the number of fused benzene rings increases. Therefore, graphene-conjugated molecule-graphene junctions with high-binding and high-conducting graphene-PAH contacts can be realized by choosing appropriate PAH anchor groups with a large area and a small HOMO-LUMO gap.

  2. Experimental and theoretical investigation of Fe-catalysis phenomenon in hydrogen thermal desorption form hydrocarbon plasma-discharge films from T-10 tokamak

    International Nuclear Information System (INIS)

    Stankevich, V.G.; Svechnikov, N.Y.; Lebedev, A.M.; Menshikov, K.A.; Kolbasov, B.N.; Sukhanov, L.P.

    2017-01-01

    A comprehensive study of hydrocarbon films obtained in the plasma discharge of large fusion facilities will allow the minimization of parasitic capture. The investigation of the effect of Fe impurities on D 2 thermal desorption (TD) from homogeneous CD x films (x ∼ 0.5) formed in the D-plasma discharge of the T-10 tokamak were carried out. The experimental TD spectra of the films showed 2 groups of peaks at 650-850 K and 900-1000 K for 2 adsorption states. The main result of the iron catalysis effect consists in the shift of the high-temperature peak by -24 K and in the increase in the fraction of the weakly bonded adsorption states. To describe the effect of iron impurities on TD of hydrogen isotopes, a structural cluster model based on the interaction of the Fe + ion with the 1,3-C 6 H 8 molecule was proposed. The potential energy surfaces of chemical reactions with the H 2 elimination were calculated using ab initio methods of quantum chemistry. It was established that the activation barrier of hydrogen TD is reduced by about 1 eV due to the interaction of the Fe + ion with the π-subsystem of the 1,3-C 6 H 8 molecule leading to a redistribution of the double bonds along the carbon system

  3. Hydrocarbon oils

    Energy Technology Data Exchange (ETDEWEB)

    Foorwood, G F; Taplay, J G

    1916-12-12

    Hydrocarbon oils are hydrogenated, cracked, or treated for the removal of sulfur by bringing their vapors mixed with steam at temperatures between 450 and 600/sup 0/C into contact with a form of carbon that is capable of decomposing steam with the production of nascent hydrogen at those temperatures. The forms of carbon used include lamp-black, soot, charcoals derived from wood, cellulose, and lignite, and carbons obtained by carbonizing oil residues and other organic bodies at temperatures below 600/sup 0/C. The process is applied to the treatment of coal oil, shale oil, petroleum, and lignite oil. In examples, kerosene is cracked at 570/sup 0/C, cracked spirit is hydrogenated at 500/sup 0/C, and shale spirit is desulfurized at 530/sup 0/C. The products are led to a condenser and thence to a scrubber, where they are washed with creosote oil. After desulfurization, the products are washed with dilute caustic soda to remove sulfurretted hydrogen.

  4. Hydrocarbon exploration

    Energy Technology Data Exchange (ETDEWEB)

    Lerche, I. (South Carolina Univ., Columbia, SC (United States). Dept. of Geological Sciences)

    1993-01-01

    This special issue of the journal examines various aspects of the on-going search for hydrocarbons, ranging from frontier basins where little data are available, to more mature areas where considerable data are available. The incentives underlying the search for oil are roughly: the social, economic and industrial needs of a nation; the incentive of a corporation to be profitable; and the personal incentives of individuals in the oil industry and governments, which range from financial wealth to power and which are as diverse as the individuals who are involved. From a geopolitical perspective, the needs, requirements, goals, strategies, and philosophies of nations, and groups of nations, also impact on the oil exploration game. Strategies that have been employed have ranged from boycott to austerity and rationing, to physical intervention, to global ''flooding'' with oil by over-production. (author)

  5. In situ investigation of the mechanisms of the transport to tissues of polycyclic aromatic hydrocarbons adsorbed onto the root surface of Kandelia obovata seedlings

    International Nuclear Information System (INIS)

    Li, Ruilong; Zhu, Yaxian; Zhang, Yong

    2015-01-01

    A novel method for in situ determination of the polycyclic aromatic hydrocarbons (PAHs) adsorbed onto the root surface of Kandelia obovata seedlings was established using laser-induced time-resolved nanosecond fluorescence spectroscopy (LITRF). The linear dynamic ranges for the established method were 1.5–1240 ng/spot for phenanthrene, 1.0–1360 ng/spot for pyrene and 5.0–1220 ng/spot for benzo[a]pyrene. Then, the mechanisms of PAHs transport from the Ko root surface to tissues were investigated. The three-phase model including fast, slow and very slow fractions was superior to the single or dual-phase model to describe the PAHs transport processes. Moreover, the fast fraction of PAHs transport process was mainly due to passive movement, while the slow and very slow fractions were not. Passive movement was the main process of B[a]P adsorbed onto Ko root surface transport to tissues. In addition, the extent of the PAHs transport to Ko root tissues at different salinity were evaluated. - Highlights: • A novel method in situ determination PAHs adsorbed onto root surface was established. • The mechanisms of PAHs transport from root surface to tissues are investigated. • Passive movement is the main process of B[a]P transport from root surface to tissues. • Effects of salinity on the PAHs transport from root surface to tissues are evaluated. - Passive movement for the PAHs adsorbed onto Kandelia obovata root surface to tissues was observed by a newly established in situ LITRF method

  6. 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.

  7. DNA-Conjugated Organic Chromophores in DNA Stacking Interactions

    DEFF Research Database (Denmark)

    Filichev, Vyacheslav V.; Pedersen, Erik Bjerregaard

    2009-01-01

    Since the discovery of the intercalation of acridine derivatives into DNA (1961), chemists have synthesized many intercalators tethered to DNA. Advances in the chemical synthesis of modified nucleosides along with progress in oligonucleotide synthesis have made it possible to introduce organic ch...... review presents those efforts in the design of intercalators/organic chromophores as oligonucleotide conjugates that form a foundation for the generation of novel nucleic acid architectures......Since the discovery of the intercalation of acridine derivatives into DNA (1961), chemists have synthesized many intercalators tethered to DNA. Advances in the chemical synthesis of modified nucleosides along with progress in oligonucleotide synthesis have made it possible to introduce organic...

  8. First-principles investigation on the electronic efficiency and binding energy of the contacts formed by graphene and poly-aromatic hydrocarbon anchoring groups

    KAUST Repository

    Li, Yang

    2015-04-28

    © 2015 AIP Publishing LLC. The electronic efficiency and binding energy of contacts formed between graphene electrodes and poly-aromatic hydrocarbon (PAH) anchoring groups have been investigated by the non-equilibrium Green\\'s function formalism combined with density functional theory. Our calculations show that PAH molecules always bind in the interior and at the edge of graphene in the AB stacking manner, and that the binding energy increases following the increase of the number of carbon and hydrogen atoms constituting the PAH molecule. When we move to analyzing the electronic transport properties of molecular junctions with a six-carbon alkyne chain as the central molecule, the electronic efficiency of the graphene-PAH contacts is found to depend on the energy gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) of the corresponding PAH anchoring group, rather than its size. To be specific, the smaller is the HOMO-LUMO gap of the PAH anchoring group, the higher is the electronic efficiency of the graphene-PAH contact. Although the HOMO-LUMO gap of a PAH molecule depends on its specific configuration, PAH molecules with similar atomic structures show a decreasing trend for their HOMO-LUMO gap as the number of fused benzene rings increases. Therefore, graphene-conjugated molecule-graphene junctions with high-binding and high-conducting graphene-PAH contacts can be realized by choosing appropriate PAH anchor groups with a large area and a small HOMO-LUMO gap.

  9. Skin image illumination modeling and chromophore identification for melanoma diagnosis

    Science.gov (United States)

    Liu, Zhao; Zerubia, Josiane

    2015-05-01

    The presence of illumination variation in dermatological images has a negative impact on the automatic detection and analysis of cutaneous lesions. This paper proposes a new illumination modeling and chromophore identification method to correct lighting variation in skin lesion images, as well as to extract melanin and hemoglobin concentrations of human skin, based on an adaptive bilateral decomposition and a weighted polynomial curve fitting, with the knowledge of a multi-layered skin model. Different from state-of-the-art approaches based on the Lambert law, the proposed method, considering both specular reflection and diffuse reflection of the skin, enables us to address highlight and strong shading effects usually existing in skin color images captured in an uncontrolled environment. The derived melanin and hemoglobin indices, directly relating to the pathological tissue conditions, tend to be less influenced by external imaging factors and are more efficient in describing pigmentation distributions. Experiments show that the proposed method gave better visual results and superior lesion segmentation, when compared to two other illumination correction algorithms, both designed specifically for dermatological images. For computer-aided diagnosis of melanoma, sensitivity achieves 85.52% when using our chromophore descriptors, which is 8~20% higher than those derived from other color descriptors. This demonstrates the benefit of the proposed method for automatic skin disease analysis.

  10. Depth distributions of light action spectra for skin chromophores

    Science.gov (United States)

    Barun, V. V.; Ivanov, A. P.

    2010-03-01

    Light action spectra over wavelengths of 300-1000 nm are calculated for components of the human cutaneous covering: melanin, basal (bloodless) tissue, and blood oxy- and deoxyhemoglobin. The transformation of the spectra with depth in biological tissue results from two factors. The first is the wavelength dependence of the absorption coefficient corresponding to a particular skin chromophore and the second is the spectral selectivity of the radiation flux in biological tissue. This factor is related to the optical properties of all chromophores. A significant change is found to take place in the spectral distribution of absorbed radiant power with increasing depth. The action spectrum of light for the molecular oxygen contained in all components of biological tissue is also studied in the 625-645 nm range. The spectra are found to change with both the volume fraction of blood vessels and the degree of oxygenation of the blood. These results are useful for analyzing processes associated with optical absorption that are possible mechanisms for the interaction of light with biological tissues: photodissociation of oxyhemoglobin and the light-oxygen effect.

  11. New closed-form approximation for skin chromophore mapping.

    Science.gov (United States)

    Välisuo, Petri; Kaartinen, Ilkka; Tuchin, Valery; Alander, Jarmo

    2011-04-01

    The concentrations of blood and melanin in skin can be estimated based on the reflectance of light. Many models for this estimation have been built, such as Monte Carlo simulation, diffusion models, and the differential modified Beer-Lambert law. The optimization-based methods are too slow for chromophore mapping of high-resolution spectral images, and the differential modified Beer-Lambert is not often accurate enough. Optimal coefficients for the differential Beer-Lambert model are calculated by differentiating the diffusion model, optimized to the normal skin spectrum. The derivatives are then used in predicting the difference in chromophore concentrations from the difference in absorption spectra. The accuracy of the method is tested both computationally and experimentally using a Monte Carlo multilayer simulation model, and the data are measured from the palm of a hand during an Allen's test, which modulates the blood content of skin. The correlations of the given and predicted blood, melanin, and oxygen saturation levels are correspondingly r = 0.94, r = 0.99, and r = 0.73. The prediction of the concentrations for all pixels in a 1-megapixel image would take ∼ 20 min, which is orders of magnitude faster than the methods based on optimization during the prediction.

  12. 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

  13. 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 ...

  14. Ultraviolet-resonance femtosecond stimulated Raman study of the initial events in photoreceptor chromophore

    Directory of Open Access Journals (Sweden)

    Tahara T.

    2013-03-01

    Full Text Available Newly-developed ultraviolet-resonance femtosecond stimulated-Raman spectroscopy was utilized to study the initial structural evolution of photoactive yellow protein chromophore in solution. The obtained spectra changed drastically within 1 ps, demonstrating rapid in-plane deformations of the chromophore.

  15. Contrasting the excited-state dynamics of the photoactive yellow protein chromophore: Protein versus solvent environments

    NARCIS (Netherlands)

    Vengris, M.; Horst, M.A.; Zgrablic, G.; van Stokkum, I.H.M.; Haacke, S.; Chergui, M.; Hellingwerf, K.J.; van Grondelle, R.; Larsen, D.S.

    2004-01-01

    Wavelength- and time-resolved fluorescence experiments have been performed on the photoactive yellow protein, the E46Q mutant, the hybrids of these proteins containing a nonisomerizing "locked" chromophore, and the native and locked chromophores in aqueous solution. The ultrafast dynamics of these

  16. Investigations on the remains of polycyclic aromatic hydrocarbons in contaminated soils after the addition of micro-organisms active in decomposition

    International Nuclear Information System (INIS)

    Mahro, B.; Kaestner, M.; Breuer-Jammali, M.; Schaefer, G.; Kasche, V.

    1993-01-01

    The microbial decomposition of polycyclic aromatic hydrocarbons (PAH's) by bacteria and fungi was previously mainly examined in liquid cultures. In examining the microbial decomposition of PAH's in the soil, analytical problems arise. The disappearance of the PAH's or other xenobiotica in soil cultures cannot be regarded as equivalent to biological decomposition, as absorption phenomena in the soil also have to be regarded. (orig.) [de

  17. A Field Scale Investigation of Enhanced Petroleum Hydrocarbon Biodegradation in the Vadose Zone Combining Soil Venting as an Oxygen Source with Moisture and Nutrient Addition

    Science.gov (United States)

    1990-01-01

    herbicides, insecticides, and fungicides is dependent upon both biotic and abiotic reactions, and the rate of these reactions determines the required...The most commonly isolated I hydrocarbon degrading fungi in decreasing order include: Trichoderma , i Penicillium, Aspergillus, and Mortierella (Dragun

  18. Investigations of material balance and the formation of metabolites on white rot in clamps in soil loaded with polycyclic aromatic hydrocarbons

    International Nuclear Information System (INIS)

    Zarth, M.

    1993-01-01

    One examines from a concrete case to what extent the potential danger of white rot in bio-beds caused by polycyclic aromatic hydrocarbons (PAH's) is reduced. The potential danger is mainly determined by the remainder of the PAH's. The remainder paths to be considered (micro-biological decomposition, transport and abiotic processes) are shown. (orig.) [de

  19. Chromophore Structure of Photochromic Fluorescent Protein Dronpa: Acid-Base Equilibrium of Two Cis Configurations.

    Science.gov (United States)

    Higashino, Asuka; Mizuno, Misao; Mizutani, Yasuhisa

    2016-04-07

    Dronpa is a novel photochromic fluorescent protein that exhibits fast response to light. The present article is the first report of the resonance and preresonance Raman spectra of Dronpa. We used the intensity and frequency of Raman bands to determine the structure of the Dronpa chromophore in two thermally stable photochromic states. The acid-base equilibrium in one photochromic state was observed by spectroscopic pH titration. The Raman spectra revealed that the chromophore in this state shows a protonation/deprotonation transition with a pKa of 5.2 ± 0.3 and maintains the cis configuration. The observed resonance Raman bands showed that the other photochromic state of the chromophore is in a trans configuration. The results demonstrate that Raman bands selectively enhanced for the chromophore yield valuable information on the molecular structure of the chromophore in photochromic fluorescent proteins after careful elimination of the fluorescence background.

  20. 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 cha...

  1. Sea cucumbers reduce chromophoric dissolved organic matter in aquaculture tanks.

    Science.gov (United States)

    Sadeghi-Nassaj, Seyed Mohammad; Catalá, Teresa S; Álvarez, Pedro A; Reche, Isabel

    2018-01-01

    Mono-specific aquaculture effluents contain high concentrations of nutrients and organic matter, which affect negatively the water quality of the recipient ecosystems. A fundamental feature of water quality is its transparency. The fraction of dissolved organic matter that absorbs light is named chromophoric dissolved organic matter (CDOM). A sustainable alternative to mono-specific aquaculture is the multitrophic aquaculture that includes species trophically complementary named "extractive" species that uptake the waste byproducts. Sea cucumbers are recognized as efficient extractive species due to the consumption of particulate organic matter (POM). However, the effects of sea cucumbers on CDOM are still unknown. During more than one year, we monitored CDOM in two big-volume tanks with different trophic structure. One of the tanks (-holothurian) only contained around 810 individuals of Anemonia sulcata , whereas the other tank (+holothurian) also included 90 individuals of Holothuria tubulosa and Holothuria forskali . We routinely analyzed CDOM absorption spectra and determined quantitative (absorption coefficients at 325 nm) and qualitative (spectral slopes) optical parameters in the inlet waters, within the tanks, and in their corresponding effluents. To confirm the time-series results, we also performed three experiments. Each experiment consisted of two treatments: +holothurians (+H) and -holothurians (-H). We set up three +H tanks with 80 individuals of A. sulcata and 10 individuals of H. tubulosa in each tank and four -H tanks that contained only 80 individuals of A. sulcata . In the time-series, absorption coefficients at 325 nm ( a 325 ) and spectral slopes from 275 to 295 nm ( S 275-295 ) were significantly lower in the effluent of the +holothurian tank (average: 0.33 m -1 and 16 µm -1 , respectively) than in the effluent of the -holothurian tank (average: 0.69 m -1 and 34 µm -1 , respectively), the former being similar to those found in the inlet

  2. Synthesis and properties of the para-trimethylammonium analogues of green fluorescence protein (GFP) chromophore: The mimic of protonated GFP chromophore.

    Science.gov (United States)

    Fanjiang, Ming-Wei; Li, Ming-Ju; Sung, Robert; Sung, Kuangsen

    2018-04-01

    At low pH, protons from the external, bulk solution can protonate the phenoxide group of the p-HBDI chromophore in wild-type green fluorescent protein (wtGFP) and its mutants, and likely continue to tentatively protonate the phenol hydroxyl group of the same chromophores. Because the protonated GFP chromophore is a transient, we prepare the stable p-trimethylammonium analogues (2a and 2b) of the GFP chromophore to mimic it and explore their properties. What we found is that the p-trimethylammonium analogues of the GFP chromophore have the highly electrophilic amidine carbon, blue-shifted electronic absorption, smaller molar absorptivity, smaller fluorescent quantum yield, and faster E-Z thermoisomerization rate. The amidine carbon of the p-trimethylammonium analogue (2b) of the GFP chromophore is the only site that is attacked by very weak nucleophile of water, resulting in ring-opening of the imidazolinone moiety. The half-life of its decay rate in D 2 O is around 33 days. Actually, acid-catalyzed hydrolysis of p-HBDI also results in ring-opening of the imidazolinone moiety. The ratio of the acid-catalyzed hydrolysis rate constants [k obs (p-HBDI)/k obs (1b)] between p-HBDI and 1b (p-dimethylammonium analogue of the GFP chromophore) is dramatically increased from 0.30 at pH = 2 to 0.63 at pH = 0. This is the evidence that more and more phenol hydroxyl groups of p-HBDI are tentatively protonated in a low-pH aqueous solution and that accelerates hydrolysis of p-HBDI in the way similar to the quaternary ammonium derivatives 2a and 2b in water. With this view point, 2a and 2b still can partially mimic the cationic p-HBDI with the protonated phenol hydroxyl group. Implication of the experiment is that the amidine carbon of the chromophore in wtGFP and its mutants at very low pH should be highly electrophilic. Whether ring-opening of the imidazolinone moiety of the GFP chromophore would occur or not depends on if water molecules can reach the amidine carbon of

  3. Molecular characterization of autochthonous hydrocarbon utilizing ...

    African Journals Online (AJOL)

    Prof. Ogunji

    Materials and Methods ... culturable hydrocarbon utilizing bacteria (HUB) were enumerated by vapour phase ... hydrocarbon utilizing bacterial isolates by boiling method according to ... obtained in this investigation are consistent with past field studies (Kostka et ... Microbial and other related changes in a Niger sediment.

  4. Hydrocarbon formation mechanism during uranium monocarbide hydrolysis

    International Nuclear Information System (INIS)

    Ermolaev, M.I.; Tishchenko, G.V.

    1979-01-01

    The hydrolysis of uranium monocarbide in oxidative media and in the presence of excessive hydrogen in statu nascendi has been investigated. It was found that oxydants promote the formation of elementary carbon, while in the presence of hydrogen the yield of light C-C hydrocarbons increases. EPR data confirm the radical mechanism of hydrocarbons formation during the decomposition of uranium monocarbide

  5. Gamma ray induced chromophore modification of softwood thermomechanical pulp

    International Nuclear Information System (INIS)

    Robert, S.; Daneault, C.; Viel, C.; Lepine, F.

    1992-01-01

    This study focuses on bleaching a softwood (black spruce, balsam fur) thermomechanical pulp with gamma rays. Gamma rays are known for their enormous penetrating power, along with their ionizing properties. They can generate highly energetic radicals capable of oxidizing lignin chromophores. The authors studied the influence of isopropyl alcohol, sodium borohydride, oxygen, hydrogen peroxide, nitrogen dioxide and water along with gamma ray irradiation of the pulps. The authors measured the optimal dose and dose rate, along with the influence of the radical scavengers like oxygen on the bleaching effect of gamma irradiated pulps. They observe various degrees of bleaching of these pulps. Evidence relates this bleaching to the generation of perhydroxyl anions upon irradiation of water. Also, they were able to pinpoint the influence of the dose rate on the rate of formation and disappearance of these perhydroxyl anions and their influence on bleaching kinetics. Stability toward photoyellowing, and photoyellowing's kinetic of papers from these pulps was also studied

  6. INVESTIGATION OF THE NUTRITIONAL REQUIREMENTS AND CORRESPONDING CODING GENES OF HYDROCARBON-DEGRADING BACTERIAL STRAINS FOR THE PRODUCTION OF BIOMASS USEFUL IN BIOREMEDIATION OF PETROLEUM POLLUTION

    OpenAIRE

    Attar, Al Zahraa Omar

    2015-01-01

    Petroleum-derived contamination events constitute one of the most dominant sources of environmental deterioration in the industrialized countries. Hydrocarbon compounds are recognized as toxic and carcinogenic organic pollutants and environmentally persistent. Bioremediation efforts aim to confine, restrain and mitigate the magnitude of contamination, in order to prevent additional decline of the environment and to protect all life forms from exposure to hazardous materials. The aim of this p...

  7. Converting high boiling hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Terrisse, H; DuFour, L

    1929-02-12

    A process is given for converting high boiling hydrocarbons into low boiling hydrocarbons, characterized in that the high boiling hydrocarbons are heated to 200 to 500/sup 0/C in the presence of ferrous chloride and of such gases as hydrogen, water gas, and the like gases under a pressure of from 5 to 40 kilograms per square centimeter. The desulfurization of the hydrocarbons occurs simultaneously.

  8. Sea cucumbers reduce chromophoric dissolved organic matter in aquaculture tanks

    Directory of Open Access Journals (Sweden)

    Seyed Mohammad Sadeghi-Nassaj

    2018-02-01

    Full Text Available Background Mono-specific aquaculture effluents contain high concentrations of nutrients and organic matter, which affect negatively the water quality of the recipient ecosystems. A fundamental feature of water quality is its transparency. The fraction of dissolved organic matter that absorbs light is named chromophoric dissolved organic matter (CDOM. A sustainable alternative to mono-specific aquaculture is the multitrophic aquaculture that includes species trophically complementary named “extractive” species that uptake the waste byproducts. Sea cucumbers are recognized as efficient extractive species due to the consumption of particulate organic matter (POM. However, the effects of sea cucumbers on CDOM are still unknown. Methods During more than one year, we monitored CDOM in two big-volume tanks with different trophic structure. One of the tanks (−holothurian only contained around 810 individuals of Anemonia sulcata, whereas the other tank (+holothurian also included 90 individuals of Holothuria tubulosa and Holothuria forskali. We routinely analyzed CDOM absorption spectra and determined quantitative (absorption coefficients at 325 nm and qualitative (spectral slopes optical parameters in the inlet waters, within the tanks, and in their corresponding effluents. To confirm the time-series results, we also performed three experiments. Each experiment consisted of two treatments: +holothurians (+H and –holothurians (−H. We set up three +H tanks with 80 individuals of A. sulcata and 10 individuals of H. tubulosa in each tank and four –H tanks that contained only 80 individuals of A. sulcata. Results In the time-series, absorption coefficients at 325 nm (a325 and spectral slopes from 275 to 295 nm (S275−295 were significantly lower in the effluent of the +holothurian tank (average: 0.33 m−1 and 16 µm−1, respectively than in the effluent of the −holothurian tank (average: 0.69 m−1 and 34 µm−1, respectively, the former

  9. 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...

  10. 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...

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

    Science.gov (United States)

    Sasai, Ryo; Shinomura, Hisashi

    2013-02-01

    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.

  12. CHROMOPHORIC DISSOLVED ORGANIC MATTER (CDOM) SOURCE CHARACTERIZATION IN THE LOUISIANA BIGHT

    Science.gov (United States)

    Chromophoric dissolved organic matter (CDOM) in the Mississippi plume region may have several distinct sources: riverine (terrestrial soils), wetland (terrestrial plants), biological production (phytoplankton, zooplankton, microbial), and sediments. Complex mixing, photodegradati...

  13. 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...

  14. Photobleaching Kinetics of Chromophoric Dissolved Organic Matter Derived from Mangrove Leaf Litter and Floating Sargassum Colonies

    Science.gov (United States)

    We examined the photoreactivity of chromophoric dissolved organic matter (CDOM) derived from Rhizophora mangle (red mangrove) leaf litter and floating Sargassum colonies as these marine plants can be important contributors to coastal and open ocean CDOM pools, respectively. Mangr...

  15. THE ROLE OF NITROGEN IN CHROMOPHORIC AND FLUORESCENT DISSOLVED ORGANIC MATTER FORMATION

    Science.gov (United States)

    Microbial and photochemical processes affect chromophoric dissolved organic matter (CDOM) dynamics in the ocean. Some evidence suggests that dissolved nitrogen plays a role in CDOM formation, although this has received little systematic attention in marine ecosystems. Coastal sea...

  16. Chromophoric Dissolved Organic Material, Aqua MODIS, NPP, 0.125 degrees, Gulf of Mexico

    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...

  17. Chromophoric Dissolved Organic Material, Aqua MODIS, NPP, 0.05 degrees, Global, Science Quality

    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...

  18. Organic small molecule semiconducting chromophores for use in organic electronic devices

    Energy Technology Data Exchange (ETDEWEB)

    Welch, Gregory C.; Hoven, Corey V.; Nguyen, Thuc-Quyen

    2018-02-13

    Small organic molecule semi-conducting chromophores containing a pyridalthiadiazole, pyridaloxadiazole, or pyridaltriazole core structure are disclosed. Such compounds can be used in organic heterojunction devices, such as organic small molecule solar cells and transistors.

  19. Characterization of hydrocarbon utilizing fungi from hydrocarbon ...

    African Journals Online (AJOL)

    Prof. Ogunji

    isolated fungi could be useful in the bioremediation of hydrocarbon polluted sites. Keywords: ... Technologies such as mechanical force, burying, evaporation, dispersant application, and ..... The effects of drilling fluids on marine bacteria from a.

  20. 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...... in terms of oscillator strength and excitation energies. Interestingly, the effects are similar for both of the chromophore families....

  1. Chromophoric dissolved organic matter export from U.S. rivers

    Science.gov (United States)

    Spencer, Robert G. M.; Aiken, George R.; Dornblaser, Mark M.; Butler, Kenna D.; Holmes, R. Max; Fiske, Greg; Mann, Paul J.; Stubbins, Aron

    2013-04-01

    Chromophoric dissolved organic matter (CDOM) fluxes and yields from 15 major U.S. rivers draining an assortment of terrestrial biomes are presented. A robust relationship between CDOM and dissolved organic carbon (DOC) loads is established (e.g., a350 versus DOC; r2 = 0.96, p CDOM yields are also correlated to watershed percent wetland (e.g. a350; r2 = 0.81, p CDOM export from ungauged watersheds. A large variation in CDOM yields was found across the rivers. The two rivers in the north-eastern U.S. (Androscoggin and Penobscot), the Edisto draining into the South Atlantic Bight, and some rivers draining into the Gulf of Mexico (Atchafalaya and Mobile) exhibit the highest CDOM yields, linked to extensive wetlands in these watersheds. If the Edisto CDOM yield is representative of other rivers draining into the South Atlantic Bight, this would result in a CDOM load equivalent to that of the Mississippi from a region of approximately 10% of the Mississippi watershed, indicating the importance of certain regions with respect to the role of terrigenous CDOM in ocean color budgets.

  2. Sulfates as chromophores for multiwavelength photoacoustic imaging phantoms

    Science.gov (United States)

    Fonseca, Martina; An, Lu; Beard, Paul; Cox, Ben

    2017-12-01

    As multiwavelength photoacoustic imaging becomes increasingly widely used to obtain quantitative estimates, the need for validation studies conducted on well-characterized experimental phantoms becomes ever more pressing. One challenge that such studies face is the design of stable, well-characterized phantoms and absorbers with properties in a physiologically realistic range. This paper performs a full experimental characterization of aqueous solutions of copper and nickel sulfate, whose properties make them close to ideal as chromophores in multiwavelength photoacoustic imaging phantoms. Their absorption varies linearly with concentration, and they mix linearly. The concentrations needed to yield absorption values within the physiological range are below the saturation limit. The shape of their absorption spectra makes them useful analogs for oxy- and deoxyhemoglobin. They display long-term photostability (no indication of bleaching) as well as resistance to transient effects (no saturable absorption phenomena), and are therefore suitable for exposure to typical pulsed photoacoustic light sources, even when exposed to the high number of pulses required in scanning photoacoustic imaging systems. In addition, solutions with tissue-realistic, predictable, and stable scattering can be prepared by mixing sulfates and Intralipid, as long as an appropriate emulsifier is used. Finally, the Grüneisen parameter of the sulfates was found to be larger than that of water and increased linearly with concentration.

  3. The global distribution and dynamics of chromophoric dissolved organic matter.

    Science.gov (United States)

    Nelson, Norman B; Siegel, David A

    2013-01-01

    Chromophoric dissolved organic matter (CDOM) is a ubiquitous component of the open ocean dissolved matter pool, and is important owing to its influence on the optical properties of the water column, its role in photochemistry and photobiology, and its utility as a tracer of deep ocean biogeochemical processes and circulation. In this review, we discuss the global distribution and dynamics of CDOM in the ocean, concentrating on developments in the past 10 years and restricting our discussion to open ocean and deep ocean (below the main thermocline) environments. CDOM has been demonstrated to exert primary control on ocean color by its absorption of light energy, which matches or exceeds that of phytoplankton pigments in most cases. This has important implications for assessing the ocean biosphere via ocean color-based remote sensing and the evaluation of ocean photochemical and photobiological processes. The general distribution of CDOM in the global ocean is controlled by a balance between production (primarily microbial remineralization of organic matter) and photolysis, with vertical ventilation circulation playing an important role in transporting CDOM to and from intermediate water masses. Significant decadal-scale fluctuations in the abundance of global surface ocean CDOM have been observed using remote sensing, indicating a potentially important role for CDOM in ocean-climate connections through its impact on photochemistry and photobiology.

  4. Chromophoric dissolved organic matter export from U.S. rivers

    Science.gov (United States)

    Spencer, Robert G. M.; Aiken, George R.; Dornblaser, Mark M.; Butler, Kenna D.; Holmes, R. Max; Fiske, Greg; Mann, Paul J.; Stubbins, Aron

    2013-01-01

    Chromophoric dissolved organic matter (CDOM) fluxes and yields from 15 major U.S. rivers draining an assortment of terrestrial biomes are presented. A robust relationship between CDOM and dissolved organic carbon (DOC) loads is established (e.g., a350 versus DOC; r2 = 0.96, p CDOM yields are also correlated to watershed percent wetland (e.g. a350; r2 = 0.81, p CDOM export from ungauged watersheds. A large variation in CDOM yields was found across the rivers. The two rivers in the north-eastern U.S. (Androscoggin and Penobscot), the Edisto draining into the South Atlantic Bight, and some rivers draining into the Gulf of Mexico (Atchafalaya and Mobile) exhibit the highest CDOM yields, linked to extensive wetlands in these watersheds. If the Edisto CDOM yield is representative of other rivers draining into the South Atlantic Bight, this would result in a CDOM load equivalent to that of the Mississippi from a region of approximately 10% of the Mississippi watershed, indicating the importance of certain regions with respect to the role of terrigenous CDOM in ocean color budgets.

  5. Hydrocarbons and air pollution

    International Nuclear Information System (INIS)

    Herz, O.

    1992-01-01

    This paper shows the influence of hydrocarbons vapors, emitted by transports or by volatile solvents using, on air pollution. Hydrocarbons are the principal precursors of photochemical pollution. After a brief introduction on atmospheric chemistry and photochemical reactions, the author describes the french prevention program against hydrocarbons emissions. In the last chapter, informations on international or european community programs for photochemical pollution study are given. 5 figs., 10 tabs

  6. Production of hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Day, D T; Day, R E

    1920-04-27

    A process is disclosed of converting hydro-carbon oils having high boiling points to hydro-carbon oils having low boiling points, which process comprises adding the oil to be treated to a mass of hydro-carbon oil bearing shale, passing the shale with the oil through a conveyor retort and subjecting the material while in the retort to a heat treatment involving a temperature of at least 500/sup 0/F.

  7. Synthesis and photochemical properties of a novel iron-sulfur-nitrosyl cluster derivatized with the pendant chromophore protoporphyrin IX.

    Science.gov (United States)

    Conrado, Christa L; Wecksler, Stephen; Egler, Christian; Magde, Douglas; Ford, Peter C

    2004-09-06

    The novel Roussin red-salt ester (PPIX-RSE) with a pendant porphyrin chromophore was prepared and investigated as a precursor for the photochemical generation of nitric oxide. PPIX-RSE has the general formula Fe(2)(NO)(4)[(mu-S,mu-S')P] (where (S,S')P is the bis(2-thiolatoethyl) diester of protoporphyrin IX. The photoexcitation of PPIX-RSE with 436- or 546-nm light in an aerated chloroform solution led to the photodecomposition of the cluster with the respective quantum yields (5.2 +/- 0.7) x 10(-4) and (2.5 +/- 0.5 x 10(-4)) and the concomitant release of NO. PPIX-RSE is a significantly more effective NO generator at longer wavelength excitation than are other Fe(2)(mu-SR)(2)(NO)(4) esters for which R is a simple alkyl group such as CH(3)CH(2)- because of the much higher absorptivity of the pendant PPIX chromophore at these wavelengths and a modestly higher quantum yield. Fluorescence intensity and lifetime data indicate that the photoexcited porphyrin of PPIX-RSE is largely quenched by the energy transfer to the Fe(2)S(2)(NO)(4) cluster's core. However, a small fraction of this emission is not quenched, and it is proposed that PPIX-RSE may exist in solution as two conformers.

  8. Enhanced Indirect Photochemical Transformation of Histidine and Histamine through Association with Chromophoric Dissolved Organic Matter.

    Science.gov (United States)

    Chu, Chiheng; Lundeen, Rachel A; Remucal, Christina K; Sander, Michael; McNeill, Kristopher

    2015-05-05

    Photochemical transformations greatly affect the stability and fate of amino acids (AAs) in sunlit aquatic ecosystems. Whereas the direct phototransformation of dissolved AAs is well investigated, their indirect photolysis in the presence of chromophoric dissolved organic matter (CDOM) is poorly understood. In aquatic systems, CDOM may act both as sorbent for AAs and as photosensitizer, creating microenvironments with high concentrations of photochemically produced reactive intermediates, such as singlet oxygen (1O2). This study provides a systematic investigation of the indirect photochemical transformation of histidine (His) and histamine by 1O2 in solutions containing CDOM as a function of solution pH. Both His and histamine showed pH-dependent enhanced phototransformation in the CDOM systems as compared to systems in which model, low-molecular-weight 1O2 sensitizers were used. Enhanced reactivity resulted from sorption of His and histamine to CDOM and thus exposure to elevated 1O2 concentrations in the CDOM microenvironment. The extent of reactivity enhancement depended on solution pH via its effects on the protonation state of His, histamine, and CDOM. Sorption-enhanced reactivity was independently supported by depressed rate enhancements in the presence of a cosorbate that competitively displaced His and histamine from CDOM. Incorporating sorption and photochemical transformation processes into a reaction rate prediction model improved the description of the abiotic photochemical transformation rates of His in the presence of CDOM.

  9. Plasma devices for hydrocarbon reformation

    KAUST Repository

    Cha, Min

    2017-01-01

    Plasma devices for hydrocarbon reformation are provided. Methods of using the devices for hydrocarbon reformation are also provided. The devices can include a liquid container to receive a hydrocarbon source, and a plasma torch configured

  10. Nitrocarburizing in ammonia-hydrocarbon gas mixtures

    DEFF Research Database (Denmark)

    Pedersen, Hanne; Christiansen, Thomas; Somers, Marcel A. J.

    2011-01-01

    The present work investigates the possibility of nitrocarburising in ammonia-acetylene-hydrogen and ammonia-propene-hydrogen gas mixtures, where unsaturated hydrocarbon gas is the carbon source during nitrocarburising. Consequently, nitrocarburising is carried out in a reducing atmosphere...... microscopy and X-ray diffraction analysis. It is shown that the use of unsaturated hydrocarbon gas in nitrocarburising processes is a viable alternative to traditional nitrocarburising methods....

  11. Nitrocarburising in ammonia-hydrocarbon gas mixtures

    DEFF Research Database (Denmark)

    Pedersen, Hanne; Christiansen, Thomas; Somers, Marcel A. J.

    2010-01-01

    The present work investigates the possibility of nitrocarburising in ammonia-acetylene-hydrogen and ammoniapropene- hydrogen gas mixtures, where unsaturated hydrocarbon gas is the carbon source during nitrocarburising. Consequently, nitrocarburising is carried out in a reducing atmosphere...... microscopy and X-ray diffraction analysis. It is shown that the use of unsaturated hydrocarbon gas in nitrocarburising processes is a viable alternative to traditional nitrocarburising methods....

  12. Investigation of microbial community structure in constructed mangrove microcosms receiving wastewater-borne polycyclic aromatic hydrocarbons (PAHs) and polybrominated diphenyl ethers (PBDEs)

    International Nuclear Information System (INIS)

    Wang, Ya-fen; Wu, Yan; Pi, Na; Tam, Nora Fung-yee

    2014-01-01

    The study aims to examine relationships between microbial community structure and mixed pollutants of polycyclic aromatic hydrocarbons (PAHs) and polybrominated diphenyl ethers (PBDEs) in constructed wetland microcosms, planted with Excoecaria agallocha or Kandelia obovata, two common mangrove plant species, and under two tidal regimes, everyday tidal (Te) and no tidal flooding (Tn). Results showed both microbial community structure and the retained amounts of pollutants were significantly determined by tidal regime, while the effect of plant species was small. Higher amounts of PAHs but lower amounts of PBDEs were always retained in sediments under Te than Tn regimes. Accordingly, temporal and vertical distributions of microbial community structure differed greatly between the two tidal regimes. Redundancy analysis further revealed significant correlation between a subgroup of the mixed PAHs and PBDEs with variation in microbial community structure. The findings will help to propose specific strategies to improve the bioremediation efficiency of constructed wetland. - Highlights: • We found synchronous degradation of PAHs and PBDEs in constructed mangrove microcosms. • Retained amounts of PAHs and PBDEs were determined mainly by tidal regime. • Tidal regime in turn significantly determined microbial community structure. • Variations of microbial EL-FAME profiles were more affected by PBDEs than PAHs. • Bap and BDE-154 were two most influential pollutants on microbial community structure. - Sedimentary microbial community structure was significantly determined by tidal regime, which in turn determined retained amounts of PAHs and PBDEs in constructed mangrove microcosms

  13. Increased concentrations of polycyclic aromatic hydrocarbons in Alpine streams during annual snowmelt: investigating effects of sampling method, site characteristics, and meteorology.

    Science.gov (United States)

    Shahpoury, Pourya; Hageman, Kimberly J; Matthaei, Christoph D; Alumbaugh, Robert E; Cook, Michelle E

    2014-10-07

    Silicone passive samplers and macroinvertebrates were used to measure time-integrated concentrations of polycyclic aromatic hydrocarbons (PAHs) in alpine streams during annual snowmelt. The three sampling sites were located near a main highway in Arthur's Pass National Park in the Southern Alps of New Zealand. A similar set of PAH congeners, composed of 2-4 rings, were found in silicone passive samplers and macroinvertebrates. The background PAH concentrations were similar at all sites, implying that proximity to the highway did not affect concentrations. In passive samplers, an increase of PAH concentrations by up to seven times was observed during snowmelt. In macroinvertebrates, the concentration changes were moderate; however, macroinvertebrate sampling did not occur during the main pulse observed in the passive samplers. The extent of vegetation in the catchment appeared to affect the concentration patterns seen at the different stream sites. A strong correlation was found between PAH concentrations in passive samplers and the amount of rainfall in the study area, indicating that the washout of contaminants from snowpack by rainfall was an important process.

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

    Science.gov (United States)

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

    2014-03-01

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

  15. Plasma devices for hydrocarbon reformation

    KAUST Repository

    Cha, Min Suk

    2017-02-16

    Plasma devices for hydrocarbon reformation are provided. Methods of using the devices for hydrocarbon reformation are also provided. The devices can include a liquid container to receive a hydrocarbon source, and a plasma torch configured to be submerged in the liquid. The plasma plume from the plasma torch can cause reformation of the hydrocarbon. The device can use a variety of plasma torches that can be arranged in a variety of positions in the liquid container. The devices can be used for the reformation of gaseous hydrocarbons and/or liquid hydrocarbons. The reformation can produce methane, lower hydrocarbons, higher hydrocarbons, hydrogen gas, water, carbon dioxide, carbon monoxide, or a combination thereof.

  16. 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).

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

    KAUST Repository

    Goswami, Subhadip; Winkel, Russell W.; Alarousu, Erkki; Ghiviriga, Ion; Mohammed, Omar F.; Schanze, Kirk S.

    2014-01-01

    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).

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

    International Nuclear Information System (INIS)

    Han, Seung Choul; Lee, Jae Wook; Jin, Sungho

    2012-01-01

    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

  19. Update on the status of polycyclic aromatic hydrocarbon investigation in fish and waterfowl following the August 3, 2005 CN train derailment and oil spill into Wabamun Lake

    International Nuclear Information System (INIS)

    Sandhu, J.; Rowat, C.

    2008-01-01

    A CN train derailment that occurred in August 2005 resulted in a spill of 800,000 litres of Bunker fuel mixed with polycyclic aromatic hydrocarbons (PAH) into Wabamun Lake, Alberta. Concerns were raised regarding the potential exposure of humans to PAHs from the spill via consumption of fish and waterfowl. Biological samples of fish and waterfowl were collected and analyzed to determine the magnitude of potential risks and to develop a food chain bioaccumulation model to evaluate potential human exposure to PAHs from Wabamun Lake. Three different sets of samples were submitted at different times of the year for PAH analysis in order to observe seasonal variability. This report presented the results of PAH concentration in muscle and liver samples of fish and waterfowl analyzed between the period of August 2005 to Aug 2006. It was determined that there was potential for some adverse health effects immediately after the spill. However, a simplified food chain bioaccumulation model predicted that the risk of human health impacts from the consumption of wild game and fish near the lake was low, with the possible exception of exposure to methylnaphthalene. It was determined that although low levels of some PAHs were found in some fish and waterfowl, they would not present an unacceptable risk to human health. The levels of PAHs found in the samples collected in February and August 2006 were much lower in magnitude than the samples collected shortly after the spill. With time, PAH concentrations in fish and waterfowl have stabilized to very low levels. It was concluded that the PAH concentrations posed little or no risk for adverse health effects from PAHs to humans consuming fish and edible waterfowl, even to avid consumers. refs., tabs., figs., appendices

  20. Update on the status of polycyclic aromatic hydrocarbon investigation in fish and waterfowl following the August 3, 2005 CN train derailment and oil spill into Wabamun Lake

    Energy Technology Data Exchange (ETDEWEB)

    Sandhu, J. [Health Canada, Edmonton, AB (Canada). Healthy Environments and Consumer Safety; Rowat, C. [Health Canada, Edmonton, AB (Canada). Safe Environments Programme

    2008-07-01

    A CN train derailment that occurred in August 2005 resulted in a spill of 800,000 litres of Bunker fuel mixed with polycyclic aromatic hydrocarbons (PAH) into Wabamun Lake, Alberta. Concerns were raised regarding the potential exposure of humans to PAHs from the spill via consumption of fish and waterfowl. Biological samples of fish and waterfowl were collected and analyzed to determine the magnitude of potential risks and to develop a food chain bioaccumulation model to evaluate potential human exposure to PAHs from Wabamun Lake. Three different sets of samples were submitted at different times of the year for PAH analysis in order to observe seasonal variability. This report presented the results of PAH concentration in muscle and liver samples of fish and waterfowl analyzed between the period of August 2005 to Aug 2006. It was determined that there was potential for some adverse health effects immediately after the spill. However, a simplified food chain bioaccumulation model predicted that the risk of human health impacts from the consumption of wild game and fish near the lake was low, with the possible exception of exposure to methylnaphthalene. It was determined that although low levels of some PAHs were found in some fish and waterfowl, they would not present an unacceptable risk to human health. The levels of PAHs found in the samples collected in February and August 2006 were much lower in magnitude than the samples collected shortly after the spill. With time, PAH concentrations in fish and waterfowl have stabilized to very low levels. It was concluded that the PAH concentrations posed little or no risk for adverse health effects from PAHs to humans consuming fish and edible waterfowl, even to avid consumers. refs., tabs., figs., appendices.

  1. Chemical modification of glass surface with a monolayer of nonchromophoric and chromophoric methacrylate terpolymer

    Energy Technology Data Exchange (ETDEWEB)

    Janik, Ryszard [Department of Polymer Engineering and Technology, Wroclaw University of Technology, 50-370 Wroclaw (Poland); Kucharski, Stanislaw, E-mail: stanislaw.kucharski@pwr.wroc.pl [Department of Polymer Engineering and Technology, Wroclaw University of Technology, 50-370 Wroclaw (Poland); Sobolewska, Anna [Institute of Physical and Theoretical Chemistry, Wroclaw University of Technology, 50-370 Wroclaw (Poland); Barille, Regis [Institut des Sciences et Techniques Moleculaires d' Angers ' Moltech Anjou' , CNRS UMR 6200, 49045 Angers (France)

    2010-11-15

    The methacrylate terpolymers, a nonchromophoric and chromophoric one, containing 2-hydroxyethyl groups were reacted with 3-isocyanatopropyltriethoxysilane to obtain reactive polymers able to form covalent bonding with -SiOH groups of the glass surface via triethoxysilane group condensation. Chemical modification of the Corning 2949 glass plates treated in this way resulted in increase of wetting angle from 11{sup o} to ca. 70-73{sup o}. Determination of ellipsometric parameters revealed low value of the substrate refractive index as compared with that of bulk Corning 2949 glass suggesting roughness of the surface. The AFM image of the bare glass surface and that modified with terpolymer monolayer confirmed this phenomenon. Modification of the glass with the terpolymer monolayer made it possible to create the substrate surface well suited for deposition of familiar chromophore film by spin-coating. The chromophore polymer film deposited onto the modified glass surface was found to be resistant to come unstuck in aqueous solution.

  2. Stabilization of structure in near-infrared fluorescent proteins by binding of biliverdin chromophore

    Science.gov (United States)

    Stepanenko, Olesya V.; Stepanenko, Olga V.; Bublikov, G. S.; Kuznetsova, I. M.; Verkhusha, V. V.; Turoverov, K. K.

    2017-07-01

    Near-infrared fluorescent proteins (NIR FPs) engineered from bacterial phytochromes and their mutants with different location of Cys residues, which able to bind a biliverdin chromophore, or without these Cys residues were studied using intrinsic tryptophan fluorescence, NIR fluorescence and circular dichroism. It was shown that a covalent binding of the biliverdin chromophore to a Cys residue via thioether group substantially stabilizes the spatial structure of NIR FPs. The stability of the protein structure and the chromophore association strength strongly depends on the location of Cys residues and decreases in the following order: a protein with Cys residues in both domains, a protein with Cys in PAS domains, and a protein with Cys in GAF domains. NIR FPs without Cys residues capable to covalently attach biliverdin have the lowest stability, comparable to NIR FP apoforms.

  3. Optomechanical Control of Quantum Yield in Trans-Cis Ultrafast Photoisomerization of a Retinal Chromophore Model.

    Science.gov (United States)

    Valentini, Alessio; Rivero, Daniel; Zapata, Felipe; García-Iriepa, Cristina; Marazzi, Marco; Palmeiro, Raúl; Fdez Galván, Ignacio; Sampedro, Diego; Olivucci, Massimo; Frutos, Luis Manuel

    2017-03-27

    The quantum yield of a photochemical reaction is one of the most fundamental quantities in photochemistry, as it measures the efficiency of the transduction of light energy into chemical energy. Nature has evolved photoreceptors in which the reactivity of a chromophore is enhanced by its molecular environment to achieve high quantum yields. The retinal chromophore sterically constrained inside rhodopsin proteins represents an outstanding example of such a control. In a more general framework, mechanical forces acting on a molecular system can strongly modify its reactivity. Herein, we show that the exertion of tensile forces on a simplified retinal chromophore model provokes a substantial and regular increase in the trans-to-cis photoisomerization quantum yield in a counterintuitive way, as these extension forces facilitate the formation of the more compressed cis photoisomer. A rationale for the mechanochemical effect on this photoisomerization mechanism is also proposed. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption

    OpenAIRE

    Pop, Flavia; Lewis, William; Amabilino, David B.

    2016-01-01

    Mono- and di-alkylated 1,4-diketo-3,6-dithiophenylpyrrolo[3-4-c]pyrrole derivatives (TDPPs) have been synthesised and their solid state packing and absorption properties have been correlated. In this library of compounds the bulkier substituents distort the geometry of the chromophores and shift the lowest energy absorption band as a consequence of reduced π–π stacking and inter-chromophore overlap. Longitudinal displacement of the conjugated core is affected by donor–acceptor intermolecular ...

  5. 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

    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...

  6. X-ray absorption spectroscopy of ultramarine pigments: A new analytical method for the polysulfide radical anion S3- chromophore

    International Nuclear Information System (INIS)

    Fleet, Michael E.; Liu, Xi

    2010-01-01

    Blue and mauve ultramarine artists' pigments and their heat-treated products have been investigated by sulfur K-edge X-ray absorption. X-ray absorption near-edge structure spectra are dominated by features of reduced sulfur and sulfate species. There is also a pre-peak at about 2468.0 eV which reflects the presence of the unpaired electron on the polysulfide radical anion (S 3 - ). Pre-peak intensity is directly proportional to the depth of blue coloration, and provides a new, independent method for estimating the proportion of ultramarine cage sites occupied by the blue chromophore. The occupancy of the polysulfide radical anion S 3 - is estimated to be 33% in an intense ultramarine blue pigment, 22% in a dark blue ultramarine pigment, and 1% in deep royal blue lazurite from Afghanistan. The more efficient development of color in lazurite is attributed to extensive annealing of the mineral structure in the natural environment.

  7. Thraustochytrid protists degrade hydrocarbons

    Digital Repository Service at National Institute of Oceanography (India)

    Raikar, M.T.; Raghukumar, S.; Vani, V.; David, J.J.; Chandramohan, D.

    isolation tubes with crude oil. Three isolates tested showed positive hydrophobicity of cell walls as judged by the Microbial Adhesion to Hydrocarbons (MATH) assay. Addition of Bombay High crude oil to nutrient broth slightly enhanced growth of the protists...

  8. Purifying hydrocarbon oils

    Energy Technology Data Exchange (ETDEWEB)

    Rostin, H

    1938-08-11

    A process is described for continuously purifying hydrocarbon oils consisting in conducting the vapors of the same at a temperature of 300 to 400/sup 0/C over the oelitic ore minette together with reducing gases in presence of steam the proportion of the reducing gases and steam being such that the sulfur of the hydrocarbons escapes from the reaction chamber in the form of sulfuretted hydrogen without permanent sulfide of iron being formed.

  9. Process for refining hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Risenfeld, E H

    1924-11-26

    A process is disclosed for the refining of hydrocarbons or other mixtures through treatment in vapor form with metal catalysts, characterized by such metals being used as catalysts, which are obtained by reduction of the oxide of minerals containing the iron group, and by the vapors of the hydrocarbons, in the presence of the water vapor, being led over these catalysts at temperatures from 200 to 300/sup 0/C.

  10. Electrostatically atomised hydrocarbon sprays

    Energy Technology Data Exchange (ETDEWEB)

    Yule, A.J.; Shrimpton, J.S.; Watkins, A.P.; Balachandran, W.; Hu, D. [UMIST, Manchester (United Kingdom). Thermofluids Division, Dept. of Mechanical Engineering

    1995-07-01

    A burner using an electrostatic method to produce and control a fuel spray is investigated for non-burning sprays. The burner has a charge injection nozzle and the liquid flow rate and charge injection rate are varied using hydrocarbon liquids of differing viscosities, surface tensions and electrical conductivities (kerosene, white spirit and diesel oil). Droplet size distributions are measured and it is shown how the dropsize, spray pattern, breakup mechanism and breakup length depend on the above variables, and in particular on the specific charge achieved in the spray. The data are valuable for validating two computer models under development. One predicts the electric field and flow field inside the nozzle as a function of emitter potential, geometry and flow rate. The other predicts the effect of charge on spray dispersion, with a view to optimizing spray combustion. It is shown that electrostatic disruptive forces can be used to atomize oils at flow rates commensurate with practical combustion systems and that the charge injection technique is particularly suitable for highly resistive liquids. Possible limitations requiring further research include the need to control the wide spray angle, which may provide fuel-air mixtures too lean near the nozzle, and the need to design for maximum charge injection rate, which is thought to be limited by corona breakdown in the gas near the nozzle orifice. 30 refs., 15 figs., 1 tab.

  11. 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.

  12. In-situ hydrocarbon delineation using laser-induced fluorescence

    International Nuclear Information System (INIS)

    Taer, A.D.; Hastings, R.W.; Brown, A.Y.; Frend, R.

    1996-01-01

    An investigation of hydrocarbons in soils was conducted at an active Shell Oil Company petroleum products terminal, located in Carson, California. An investigation approach involving Laser-Induced Fluorescence (LIF) and Cone Penetrometer Testing (CPT) technologies was implemented to provide real-time, in-situ characterization of site stratigraphy, hydrocarbon distribution and importantly, hydrocarbon product differentiation. The area of investigation is located along a property boundary, where a plume of separate phase hydrocarbons has been actively recovered for several years. CPT/LIF technology was selected for the investigation since previous delineation efforts using hydrocarbon fingerprinting methods proved inconclusive. Additionally, the CPT/LIF technology had the potential to provide a cost effective solution to accomplish project objectives. Based on the information obtained during this investigation, it was determined that the plume of separate phase hydrocarbons along the northern property boundary is from a source distinctly different than any identified hydrocarbons known to be from on-site sources. In addition, the plume was determined to not be connected with any other known on-site hydrocarbon plumes. The results of this CPT/LIF investigation were consistent with the known hydrogeologic conditions. This evaluation determined that CPT/LIF technology was very effective in addressing project objectives and resulted in a significant cost savings

  13. Hydrocarbon Rocket Technology Impact Forecasting

    Science.gov (United States)

    Stuber, Eric; Prasadh, Nishant; Edwards, Stephen; Mavris, Dimitri N.

    2012-01-01

    Forecasting method is a normative forecasting technique that allows the designer to quantify the effects of adding new technologies on a given design. This method can be used to assess and identify the necessary technological improvements needed to close the gap that exists between the current design and one that satisfies all constraints imposed on the design. The TIF methodology allows for more design knowledge to be brought to the earlier phases of the design process, making use of tools such as Quality Function Deployments, Morphological Matrices, Response Surface Methodology, and Monte Carlo Simulations.2 This increased knowledge allows for more informed decisions to be made earlier in the design process, resulting in shortened design cycle time. This paper will investigate applying the TIF method, which has been widely used in aircraft applications, to the conceptual design of a hydrocarbon rocket engine. In order to reinstate a manned presence in space, the U.S. must develop an affordable and sustainable launch capability. Hydrocarbon-fueled rockets have drawn interest from numerous major government and commercial entities because they offer a low-cost heavy-lift option that would allow for frequent launches1. However, the development of effective new hydrocarbon rockets would likely require new technologies in order to overcome certain design constraints. The use of advanced design methods, such as the TIF method, enables the designer to identify key areas in need of improvement, allowing one to dial in a proposed technology and assess its impact on the system. Through analyses such as this one, a conceptual design for a hydrocarbon-fueled vehicle that meets all imposed requirements can be achieved.

  14. Chromophore-protein coupling beyond nonpolarizable models: understanding absorption in green fluorescent protein

    NARCIS (Netherlands)

    Daday, C.; Curutchet, C.; Sinicropi, A.; Mennucci, B.; Filippi, Claudia

    2015-01-01

    The nature of the coupling of the photoexcited chromophore with the environment in a prototypical system like green fluorescent protein (GFP) is to date not understood, and its description still defies state-of-the-art multiscale approaches. To identify which theoretical framework of the

  15. Engineering a genetically-encoded SHG chromophore by electrostatic targeting to the membrane

    Directory of Open Access Journals (Sweden)

    Yuka eJinno

    2014-11-01

    Full Text Available Although second harmonic generation (SHG microscopy provides unique imaging advantages for voltage imaging and other biological applications, genetically-encoded SHG chromophores remain relatively unexplored. SHG only arises from non-centrosymmetric media, so an anisotropic arrangement of chromophores is essential to provide strong SHG signals. Here, inspired by the mechanism by which K-Ras4B associates with plasma membranes, we sought to achieve asymmetric arrangements of chromophores at the membrane-cytoplasm interface using the fluorescent protein mVenus. After adding a farnesylation motif to the C-terminus of mVenus, nine amino acids composing its -barrel surface were replaced by lysine, forming an electrostatic patch. This protein (mVe9Knus-CVIM was efficiently targeted to the plasma membrane in a geometrically defined manner and exhibited SHG in HEK293 cells. In agreement with its design, mVe9Knus-CVIM hyperpolarizability was oriented at a small angle (~7.3º from the membrane normal. Genetically-encoded SHG chromophores could serve as a molecular platform for imaging membrane potential.

  16. Gas-phase infrared spectrum of the anionic GFP-chromophore

    NARCIS (Netherlands)

    Almasian, M.; Grzetic, J.; G. Berden,; Bakker, B.; Buma, W. J.; Oomens, J.

    2012-01-01

    The gas-phase IR spectrum of the anionic chromophore of the green fluorescent protein (p-hydroxy-benzylidene-2,3-dimethylimidazolidinone, HBDI) is recorded in the 800–1800 cm−1 frequency range using the free electron laser FELIX in combination with an electrospray ionization (ESI) Fourier

  17. 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.

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

    International Nuclear Information System (INIS)

    Sasai, Ryo; Shinomura, Hisashi

    2013-01-01

    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 4 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: ► 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.

  19. 2,4,5-trihydroxy-3-methylacetophenone: A cellulosic chromophore as a case study of aromaticity

    Science.gov (United States)

    Nele Sophie Zwirchmayr; Thomas Elder; Markus Bacher; Andreas Hofinger-Horvath; Paul Kosma; Thomas. Rosenau

    2017-01-01

    The title compound (2,4,5-trihydroxy-3-methylacetophenone, 1) was isolated as chromophore from aged cellulosic pulps. The peculiar feature of the compound is its weak aromatic system that can be converted into nonaromatic (quinoid or cyclic aliphatic) tautomers, depending on the conditions and reaction partners. In alkaline media, the participation of quinoid canonic...

  20. Production of Chromophoric Dissolved Organic Matter from Mangrove Leaf Litter and Floating Sargassum Colonies

    Science.gov (United States)

    Chromophoric dissolved organic matter (CDOM) strongly absorbs solar radiation in the blue-green and serves as the primary attenuator of water column ultraviolet radiation (UV-R). CDOM interferes with remote sensing of ocean chlorophyll and can control UV-R-induced damage to light...

  1. Orientation phenomena in chromophore DR1-containing polymer films and their non-linear optical response

    International Nuclear Information System (INIS)

    Moencke, Doris; Mountrichas, Grigoris; Pispas, Stergios; Kamitsos, Efstratios I.

    2011-01-01

    The effectiveness of chromophore alignment in polymer films following corona poling can be assessed by the generated second harmonic signal. Optimization of the stability and strength of this nonlinear optical response may improve with a better understanding of the underlying principal order phenomena. Structural analysis by vibrational, optical, and 1 H NMR spectroscopy reveals side chain tacticity, aggregation effects, and changes in orientation as a function of temperature. Co-polymers with the functionalized chromophore Disperse Red 1 methacrylate (MDR1) were prepared for three different methacrylate types. High side chain polarity and short side chain length increase generally chromophore aggregation in films, whereas the very long poly-ether side chains in PMEO based co-polymers are wrapped separately around the DR1 entities. Side chain tacticity depends on space requirements, but also on the capacity of side groups to form OH-bridges. Side chain tacticity might present an additional parameter for the assessment of chromophore aggregation and poling induced alignments. Stepwise heating of co-polymer films causes an increase in the number of random over ordered side chain arrangements. Cross-linking by anhydride formation is observed after heating the methacrylic acid based co-polymer.

  2. Ultrafast dynamics of isolated model photoactive yellow protein chromophores: "Chemical perturbation theory" in the laboratory

    NARCIS (Netherlands)

    Vengris, M.; Larsen, D.S.; van der Horst, M.A.; Larsen, O.F.A.; Hellingwerf, K.J.; van Grondelle, R.

    2005-01-01

    Pump-probe and pump-dump probe experiments have been performed on several isolated model chromophores of the photoactive yellow protein (PYP). The observed transient absorption spectra are discussed in terms of the spectral signatures ascribed to solvation, excited-state twisting, and vibrational

  3. Ultrafast excited and ground-state dynamics of the green fluorescent protein chromophore in solution

    NARCIS (Netherlands)

    Vengris, M.; van Stokkum, I.H.M.; He, X.; Bell, A.F.; Tonge, P.J.; van Grondelle, R.; Larsen, D.S.

    2004-01-01

    Ultrafast dispersed pump-dump-probe spectroscopy was applied to HBDI (4′-hydroxybenzylidene-2,3-dimethylimidazolinone), a model green fluorescent protein (GFP) chromophore in solution with different protonation states. The measured three-dimensional data was analyzed using a global analysis method

  4. How far can a single hydrogen bond tune the spectral properties of the GFP chromophore?

    DEFF Research Database (Denmark)

    Kiefer, Hjalte; Lattouf, Elie; Persen, Natascha Wardinghus

    2015-01-01

    Photoabsorption of the hydrogen-bonded complex of a neutral and an anionic Green Fluorescent Protein chromophore has been studied using a new dual-detection approach to action-absorption spectroscopy. Following absorption of one photon, dissociation through a single channel ensures that the full ...

  5. 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)

    Baydoun, S.; Gibbs, N.K.; Young, A.R.

    1992-01-01

    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

  6. Characteristics and sources analysis of riverine chromophoric dissolved organic matter in Liaohe River, China.

    Science.gov (United States)

    Shao, Tiantian; Song, Kaishan; Jacinthe, Pierre-Andre; Du, Jia; Zhao, Ying; Ding, Zhi; Guan, Ying; Bai, Zhang

    2016-12-01

    Chromophoric dissolved organic matter (CDOM) in riverine systems can be affected by environmental conditions and land-use, and thus could provide important information regarding human activities in surrounding landscapes. The optical properties of water samples collected at 42 locations across the Liaohe River (LHR, China) watershed were examined using UV-Vis and fluorescence spectroscopy to determine CDOM characteristics, composition and sources. Total nitrogen (TN) and total phosphorus (TP) concentrations at all sampling sites exceeded the GB3838-2002 (national quality standards for surface waters, China) standard for Class V waters of 2.0 mg N/L and 0.4 mg P/L respectively, while trophic state index (TSI M ) indicated that all the sites investigated were mesotrophic, 64% of which were eutrophic at the same time. Redundancy analysis showed that total suspended matter (TSM), dissolved organic carbon (DOC), and turbidity had a strong correlation with CDOM, while the other parameters (Chl a, TN, TP and TSI M ) exhibited weak correlations with CDOM absorption. High spectral slope values and low SUVA254 (the specific UV absorption) values indicated that CDOM in the LHR was primarily comprised of low molecular weight organic substances. Analysis of excitation-emission matrices contour plots showed that CDOM in water samples collected from upstream locations exhibited fulvic-acid-like characteristics whereas protein-like substances were most likely predominant in samples collected in estuarine areas and downstream from large cities. These patterns were interpreted as indicative of water pollution from urban and industrial activities in several downstream sections of the LHR watershed.

  7. Formation of Chromophoric Dissolved Organic Matter by Bacterial Degradation of Phytoplankton-Derived Aggregates

    Directory of Open Access Journals (Sweden)

    Joanna D. Kinsey

    2018-01-01

    Full Text Available Organic matter produced and released by phytoplankton during growth is processed by heterotrophic bacterial communities that transform dissolved organic matter into biomass and recycle inorganic nutrients, fueling microbial food web interactions. Bacterial transformation of phytoplankton-derived organic matter also plays a poorly known role in the formation of chromophoric dissolved organic matter (CDOM which is ubiquitous in the ocean. Despite the importance of organic matter cycling, growth of phytoplankton and activities of heterotrophic bacterial communities are rarely measured in concert. To investigate CDOM formation mediated by microbial processing of phytoplankton-derived aggregates, we conducted growth experiments with non-axenic monocultures of three diatoms (Skeletonema grethae, Leptocylindrus hargravesii, Coscinodiscus sp. and one haptophyte (Phaeocystis globosa. Phytoplankton biomass, carbon concentrations, CDOM and base-extracted particulate organic matter (BEPOM fluorescence, along with bacterial abundance and hydrolytic enzyme activities (α-glucosidase, β-glucosidase, leucine-aminopeptidase were measured during exponential growth and stationary phase (~3–6 weeks and following 6 weeks of degradation. Incubations were performed in rotating glass bottles to keep cells suspended, promoting cell coagulation and, thus, formation of macroscopic aggregates (marine snow, more similar to surface ocean processes. Maximum carbon concentrations, enzyme activities, and BEPOM fluorescence occurred during stationary phase. Net DOC concentrations (0.19–0.46 mg C L−1 increased on the same order as open ocean concentrations. CDOM fluorescence was dominated by protein-like signals that increased throughout growth and degradation becoming increasingly humic-like, implying the production of more complex molecules from planktonic-precursors mediated by microbial processing. Our experimental results suggest that at least a portion of open

  8. Looking at the Green Fluorescent Protein (GFP) chromophore from a different perspective: A computational insight

    Science.gov (United States)

    Paul, Bijan Kumar; Guchhait, Nikhil

    2013-02-01

    In the present contribution Density Functional Theory (DFT) has been applied to explore molecular dipole moment, frontier molecular orbital (FMO) features, chemical hardness, and the molecular electrostatic potential surface (MEPS) characteristics for optimized molecular geometry of the Green Fluorescent Protein (GFP) chromophore p-hydroxybenzylideneimidazolinone (HBDI) both in its protonated (neutral) and deprotonated (anion) forms. The distribution of atomic charges over the entire molecular framework as obtained from Natural Bond Orbital (NBO) analysis is found to faithfully replicate the predictions from the MEP map in respect of reactivity map of HBDI (neutral and anion) and possible sites for hydrogen bonding interactions etc. The three dimensional MEP map encompassing the entire molecule yields a reliable reactivity map of HBDI molecule also displaying the most probable regions for non-covalent interactions. The differential distribution of the electrostatic potential over the neutral and anionic species of HBDI is authentically reflected on MEP map and NBO charge distribution analysis. Thermodynamic properties such as heat capacity, thermal energy, enthalpy, entropy have been calculated and the correlation of the various thermodynamic functions with temperature has been established for neutral molecule. More importantly, however, the computational approach has been employed to unveil the nonlinear optical (NLO) properties of protonated (neutral) and deprotonated (anion) HBDI. Also in an endeavor to achieve a fuller understanding on this aspect the effect of basis set on the NLO properties of the title molecule has been investigated. Our computations delineate the discernible differences in NLO properties between the neutral and anionic species of HBDI whereby indicating the possibility of development of photoswitchable NLO device.

  9. Vectorial photoinduced energy transfer between boron-dipyrromethene (Bodipy) chromophores across a fluorene bridge.

    Science.gov (United States)

    Puntoriero, Fausto; Nastasi, Francesco; Campagna, Sebastiano; Bura, Thomas; Ziessel, Raymond

    2010-08-02

    A series of novel multichromophoric, luminescent compounds has been prepared, and their absorption spectra, luminescence properties (both at 77 K in rigid matrix and at 298 K in fluid solution), and photoinduced intercomponent energy-transfer processes have been studied. The series contains two new multichromophoric systems 1 and 2, each one containing two different boron-dipyrromethene (Bodipy) subunits and one bridging fluorene species, and two fluorene-Bodipy bichromophoric species, 6 and 7. Three monochromophoric compounds, 3, 4, and 5, used as precursors in the synthetic process, were also fully characterized. The absorption spectra of the multichromophoric compounds are roughly the summation of the absorption spectra of their individual components, thus demonstrating the supramolecular nature of the assemblies. Luminescence studies show that quantitative energy transfer occurs in 6 and 7 from the fluorene chromophore to the Bodipy dyes. Luminescence studies, complemented by transient-absorption spectroscopy studies, also indicate that efficient inter-Bodipy energy transfer across the rigid fluorene spacer takes place in 1 and 2, with rate constants, evaluated by several experimental methods, between 2.0 and 7.0 x 10(9) s(-1). Such an inter-Bodipy energy transfer appears to be governed by the Förster mechanism. By taking advantage of the presence of various protonable sites in the substituents of the lower-energy Bodipy subunit of 1 and 2, the effect of protonation on the energy-transfer rates has also been investigated. The results suggest that control of energy-transfer rate and efficiency of inter-Bodipy energy transfer in this type of systems can be achieved by an external, reversible input.

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

    KAUST Repository

    Cekli, Seda; Winkel, Russell W.; Alarousu, Erkki; Mohammed, Omar F.; Schanze, Kirk S.

    2016-01-01

    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.

  11. 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.

  12. Synthesis and electro-optic properties of the chromophore-containing NLO polyarylate polymers

    Science.gov (United States)

    Ren, Haohui; Peng, Chengcheng; Bo, Shuhui; Fan, Guofang; Xu, Guangming; Zhao, Hui; Zhen, Zhen; Liu, Xinhou

    2014-03-01

    Base on the same two monomers, diphenolic acid (DPA) and isophthaloyl chloride (IPC), three chromophore-containing nonlinear optical (NLO) polyarylate polymers were prepared. A tricyanofuran (TCF)-acceptor type chromophore group was in main-chain (mPAR-chr1), side-chain (sPAR-chr1) and side-chain with a 1,1-bis(4-hydroxyphenyl)-1-phenyl-2,2,2-trifluoroethane (BPAPF) group (sPAR-F-chr1), respectively. The obtained polymers were characterized and evaluated by UV-Vis, 1H NMR, DSC and TGA. All the polymers exhibited good electro-optic (EO) activity. The relationship between EO coefficients (r33) and the chromophore concentration of the three polymers were also characterized and discussed. There were no obvious differences found in EO activity between mPAR-chr1 and sPAR-chr1 polyarylates with the same chromophore. The fluorinated block polyarylate sPAR-F-chr1 has the largest r33 value in these three polyarylates which is 52 pm/V at the wavelength of 1310 nm (which is almost twice the r33 value of normal polymers contained the same chormophore at the same content), when the concentration of chromophore 1 is 18wt.%. 85% of the r33 value was retained in the sPAR-F-chr1 after being heated at 85°C for 600 hours. The polymer sPAR-F-chr1, with good solubility, high Tg (above 200 °C) and side functional group at the same time, may probably be a practical NLO material. These properties make the new polyarylates have potential applications in EO devices such as EO modulators and switches.

  13. A possibly universal red chromophore for modeling color variations on Jupiter

    Science.gov (United States)

    Sromovsky, L. A.; Baines, K. H.; Fry, P. M.; Carlson, R. W.

    2017-07-01

    A new laboratory-generated chemical compound made from photodissociated ammonia (NH3) molecules reacting with acetylene (C2H2) was suggested as a possible coloring agent for Jupiter's Great Red Spot (GRS) by Carlson et al. (2016, Icarus 274, 106-115). Baines et al. (2016, Icarus, submitted) showed that the GRS spectrum measured by the visual channels of the Cassini VIMS instrument in 2000 could be accurately fit by a cloud model in which the chromophore appeared as a physically thin layer of small particles immediately above the main cloud layer of the GRS. Here we show that the same chromophore and same layer location can also provide close matches to the short wavelength spectra of many other cloud features on Jupiter, suggesting this material may be a nearly universal chromophore that could explain the various degrees of red coloration on Jupiter. This is a robust conclusion, even for 12% changes in VIMS calibration and large uncertainties in the refractive index of the main cloud layer due to uncertain fractions of NH4SH and NH3 in its cloud particles. The chromophore layer can account for color variations among north and south equatorial belts, equatorial zone, and the Great Red Spot, by varying particle size from 0.12 μm to 0.29 μm and 1-μm optical depth from 0.06 to 0.76. The total mass of the chromophore layer is much less variable, ranging from 18 to 30 μg/cm2, except in the equatorial zone, where it is only 10-13 μg/cm2. We also found a depression of the ammonia volume mixing ratio in the two belt regions, which averaged 0.4 - 0.5 ×10-4 immediately below the ammonia condensation level, while the other regions averaged twice that value.

  14. Process for desulfurizing hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    1937-04-12

    A process is described for the desulfurization of a mixture of hydrocarbons, and in particular hydrocarbons containing less than 7 atoms of carbon and sulfur compounds of the type of sulfur carbonyl, characterized by the fact that the mixture, preferably in the liquid phase, is brought in contact with a solution of caustic alkali, essentially anhydrous or preferably with a solution of alkali hydroxide in an organic hydroxy nonacid solvent, for example, an alcohol, or with an alkaline alcoholate, under conditions suitable to the formation of hydrogen sulfide which produces a hydrocarbon mixture free from sulfur compounds of the sulfur carbonyl type but containing hydrogen sulfide, and that it is treated, following mixing, having beem submitted to the first treatment, by means of aqueous alkaline hydroxide to eliminate the hydrogen sulfide.

  15. BioDegradation of Refined Petroleum Hydrocarbons in Soil | Obire ...

    African Journals Online (AJOL)

    Carbon-dioxide production and hydrocarbon degradation of refined petroleum hydrocarbon in soils treated with 5% gasoline, kerosene and diesel oil were investigated. Soil for study was bulked from around a car park in Port Harcourt. Soil samples were collected at weekly intervals for four weeks and subsequently at ...

  16. A Review of Polycyclic Aromatic Hydrocarbons and Heavy Metal ...

    African Journals Online (AJOL)

    A Review of Polycyclic Aromatic Hydrocarbons and Heavy Metal Contamination of Fish from Fish Farms. ... Journal of Applied Sciences and Environmental Management ... Polycyclic aromatic hydrocarbons (PAHs) and heavy metals contribute to pollutants in aquaculture facilities and thus need to be further investigated.

  17. Algal Lipid Extraction and Upgrading to Hydrocarbons Technology Pathway

    Energy Technology Data Exchange (ETDEWEB)

    Davis, R.; Biddy, M.; Jones, S.

    2013-03-01

    This technology pathway case investigates the cultivation of algal biomass followed by further lipid extraction and upgrading to hydrocarbon biofuels. Technical barriers and key research needs have been assessed in order for the algal lipid extraction and upgrading pathway to be competitive with petroleum-derived gasoline-, diesel-, and jet-range hydrocarbon blendstocks.

  18. Application of fission track analysis to hydrocarbon exploration

    International Nuclear Information System (INIS)

    Duddy, I.R.; Green, P.F.; Gleadow, A.J.W.; Marshallsea, S.; Tingate, P.; Laslett, G.M.; Hegarty, K.A.; Lovering, J.F.

    1985-01-01

    The temperature range over which fission tracks in apatite show observable annealing effects coincides with that responsible for the maximum generation of liquid hydrocarbons. Work is currently in progress in a number of Australian and overseas sedimentary basins, applying Apatite Fission Track Analysis (AFTA) to investigate the thermal evolution of these hydrocarbon prospective regions

  19. Biological Conversion of Sugars to Hydrocarbons Technology Pathway

    Energy Technology Data Exchange (ETDEWEB)

    Davis, R.; Biddy, M.; Tan, E.; Tao, L.; Jones, S.

    2013-03-01

    This technology pathway case investigates the biological conversion of biomass-derived sugars to hydrocarbon biofuels, utilizing data from recent literature references and information consistent with recent pilot-scale demonstrations at NREL. Technical barriers and key research needs have been identified that should be pursued for the pathway to become competitive with petroleum-derived gasoline-, diesel-, and jet-range hydrocarbon blendstocks.

  20. Recovery of hydrocarbon oils

    Energy Technology Data Exchange (ETDEWEB)

    1941-02-10

    A process is disclosed for recovery of hydrocarbon oils, especially lubricating oils or diesel oils, through pressure hydrogenation of distillation, extraction of hydrogenation products from coal or coaly materials or from oils such as mineral oils or tars in liquid phase by use in a reaction vessel of fixed-bed catalysts, characterized in that as starting material is employed material which has been freed of asphaltic and resinous material by hydrogenation refining, vacuum-steam distillation, treatment with hydrogen-rich hydrocarbons (hydroforming), or sulfuric acid.

  1. Experimental and theoretical investigation of Fe-catalysis phenomenon in hydrogen thermal desorption from hydrocarbon plasma-discharge films from T-10 tokama

    Science.gov (United States)

    Stankevich, Vladimir G.; Sukhanov, Leonid P.; Svechnikov, Nicolay Yu.; Lebedev, Alexey M.; Menshikov, Kostantin A.; Kolbasov, Boris N.

    2017-10-01

    Investigations of the effect of Fe impurities on D2 thermal desorption (TD) from homogeneous CDx films (x ˜ 0.5) formed in the D-plasma discharge of the T-10 tokamak were carried out. The experimental TD spectra of the films showed two groups of peaks at 650-850 K and 900-1000 K for two adsorption states. The main result of the iron catalysis effect consists in the shift of the high-temperature peak by -24 K and in the increase in the fraction of the weakly bonded adsorption states. To describe the effect of iron impurities on TD of hydrogen isotopes, a structural cluster model based on the interaction of the Fe+ ion with the 1,3-C6H8 molecule was proposed. The potential energy surfaces of chemical reactions with the H2 elimination were calculated using ab initio methods of quantum chemistry. It was established that the activation barrier of hydrogen TD is reduced by about 1 eV due to the interaction of the Fe+ ion with the π-subsystem of the 1,3-C6H8 molecule leading to a redistribution of the double bonds along the carbon system. Contribution to the topical issue "Plasma Sources and Plasma Processes (PSPP)"", edited by Luis Lemos Alves, Thierry Belmonte and Tiberiu Minea

  2. Mapping the Excited State Potential Energy Surface of a Retinal Chromophore Model with Multireference and Equation-of-Motion Coupled-Cluster Methods.

    Science.gov (United States)

    Gozem, Samer; Melaccio, Federico; Lindh, Roland; Krylov, Anna I; Granovsky, Alexander A; Angeli, Celestino; Olivucci, Massimo

    2013-10-08

    The photoisomerization of the retinal chromophore of visual pigments proceeds along a complex reaction coordinate on a multidimensional surface that comprises a hydrogen-out-of-plane (HOOP) coordinate, a bond length alternation (BLA) coordinate, a single bond torsion and, finally, the reactive double bond torsion. These degrees of freedom are coupled with changes in the electronic structure of the chromophore and, therefore, the computational investigation of the photochemistry of such systems requires the use of a methodology capable of describing electronic structure changes along all those coordinates. Here, we employ the penta-2,4-dieniminium (PSB3) cation as a minimal model of the retinal chromophore of visual pigments and compare its excited state isomerization paths at the CASSCF and CASPT2 levels of theory. These paths connect the cis isomer and the trans isomer of PSB3 with two structurally and energetically distinct conical intersections (CIs) that belong to the same intersection space. MRCISD+Q energy profiles along these paths provide benchmark values against which other ab initio methods are validated. Accordingly, we compare the energy profiles of MRPT2 methods (CASPT2, QD-NEVPT2, and XMCQDPT2) and EOM-SF-CC methods (EOM-SF-CCSD and EOM-SF-CCSD(dT)) to the MRCISD+Q reference profiles. We find that the paths produced with CASSCF and CASPT2 are topologically and energetically different, partially due to the existence of a "locally excited" region on the CASPT2 excited state near the Franck-Condon point that is absent in CASSCF and that involves a single bond, rather than double bond, torsion. We also find that MRPT2 methods as well as EOM-SF-CCSD(dT) are capable of quantitatively describing the processes involved in the photoisomerization of systems like PSB3.

  3. Optrode for sensing hydrocarbons

    Science.gov (United States)

    Miller, H.; Milanovich, F.P.; Hirschfeld, T.B.; Miller, F.S.

    1988-09-13

    A two-phase system employing the Fujiwara reaction is provided for the fluorometric detection of halogenated hydrocarbons. A fiber optic is utilized to illuminate a column of pyridine trapped in a capillary tube coaxially attached at one end to the illuminating end of the fiber optic. A strongly alkaline condition necessary for the reaction is maintained by providing a reservoir of alkali in contact with the column of pyridine, the surface of contact being adjacent to the illuminating end of the fiber optic. A semipermeable membrane caps the other end of the capillary tube, the membrane being preferentially permeable to the halogenated hydrocarbon and but preferentially impermeable to water and pyridine. As the halogenated hydrocarbon diffuses through the membrane and into the column of pyridine, fluorescent reaction products are formed. Light propagated by the fiber optic from a light source, excites the fluorescent products. Light from the fluorescence emission is also collected by the same fiber optic and transmitted to a detector. The intensity of the fluorescence gives a measure of the concentration of the halogenated hydrocarbons. 5 figs.

  4. Catalyst for hydrocarbon conversion

    International Nuclear Information System (INIS)

    Duhaut, P.; Miquel, J.

    1975-01-01

    A description is given for a catalyst and process for hydrocarbon conversions, e.g., reforming. The catalyst contains an alumina carrier, platinum, iridium, at least one metal selected from uranium, vanadium, and gallium, and optionally halogen in the form of metal halide of one of the aforesaid components. (U.S.)

  5. Application of a self-organizing map and positive matrix factorization to investigate the spatial distributions and sources of polycyclic aromatic hydrocarbons in soils from Xiangfen County, northern China.

    Science.gov (United States)

    Tao, Shi-Yang; Zhong, Bu-Qing; Lin, Yan; Ma, Jin; Zhou, Yongzhang; Hou, Hong; Zhao, Long; Sun, Zaijin; Qin, Xiaopeng; Shi, Huading

    2017-07-01

    The concentrations of 16 priority polycyclic aromatic hydrocarbons (PAHs) were measured in 128 surface soil samples from Xiangfen County, northern China. The total mass concentration of these PAHs ranged from 52 to 10,524ng/g, with a mean of 723ng/g. Four-ring PAHs contributed almost 50% of the total PAH burden. A self-organizing map and positive matrix factorization were applied to investigate the spatial distribution and source apportionment of PAHs. Three emission sources of PAHs were identified, namely, coking ovens (21.9%), coal/biomass combustion (60.1%), and anthracene oil (18.0%). High concentrations of low-molecular-weight PAHs were particularly apparent in the coking plant zone in the region around Gucheng Town. High-molecular-weight PAHs mainly originated from coal/biomass combustion around Gucheng Town, Xincheng Town, and Taosi Town. PAHs in the soil of Xiangfen County are unlikely to pose a significant cancer risk for the population. Copyright © 2017 Elsevier Inc. All rights reserved.

  6. Emissions of hydrocarbons from combustion of biofuels

    International Nuclear Information System (INIS)

    Olsson, Mona; Persson, Eva Marie.

    1991-10-01

    Evaluations and measurements of emissions of hydrocarbons from power plants with a capacity exceeding 1 MW using biofuels (wood fuels and peat) have been studied in order to identify and quantify the emissions of incompletely combusted hydrocarbons. The influence of the type of fuel and the combustion technology applied were also studied, using literature references. The report summarizes monitoring results from a number of plants using biofuels. The reported emissions from the different plants can not be compared as they are relatively few and the test results have been obtained under various conditions using different methods of testing and analysis. The methods used are often poorly documented in the studied reports. Few investigations of emissions of hydrocarbons from plants in the range of 1 to 10 MW have been carried out. The plant and the technology used are important factors determining the amount and type of emissions of hydrocarbons. Larger temporary emissions can occur during start up, operational disturbances or when using fuel of inhomogeneous quality. In order to minimize the emissions the combustion process must be efficiently controlled, and a fuel of a hohogeneous quality must be used. The report also summarizes sampling and analysis methods used for monitoring emissions of hydrocarbons. (29 refs., 17 figs.)

  7. Plasma-catalytic reforming of liquid hydrocarbons

    International Nuclear Information System (INIS)

    Nedybaliuk, O.A.; Chernyak, V.Ya; Kolgan, V.V.; Iukhymenko, V.V.; Solomenko, O.V.; Fedirchyk, I.I.; Martysh, E.V.; Demchina, V.P.; Klochok, N.V.; Dragnev, S.V.

    2015-01-01

    The series of experiments studying the plasma-catalytic reforming of liquid hydrocarbons was carried out. The dynamic plasma-liquid system based on a low-power rotating gliding arc with solid electrodes was used for the investigation of liquid hydrocarbons reforming process. Conversion was done via partial oxidation. A part of oxidant flow was activated by the discharge. Synthesis-gas composition was analysed by means of mass-spectrometry and gas-chromatography. A standard boiler, which operates on natural gas and LPG, was used for the burning of synthesis-gas

  8. Bioremediation of Polycyclic Aromatic Hydrocarbon contaminated ...

    African Journals Online (AJOL)

    This study investigates the effect of lead and chromium on the rate of bioremediation of polycyclic aromatic hydrocarbon (PAH) contaminated clay soil. Naphthalene was used as a target PAH. The soil was sterilized by heating at 120oC for one hour. 100g of the soil was contaminated with lead, chromium, nickel and mercury ...

  9. Condensation Mechanism of Hydrocarbon Field Formation.

    Science.gov (United States)

    Batalin, Oleg; Vafina, Nailya

    2017-08-31

    Petroleum geology explains how hydrocarbon fluids are generated, but there is a lack of understanding regarding how oil is expelled from source rocks and migrates to a reservoir. To clarify the process, the multi-layer Urengoy field in Western Siberia was investigated. Based on this example, we have identified an alternative mechanism of hydrocarbon field formation, in which oil and gas accumulations result from the phase separation of an upward hydrocarbon flow. There is evidence that the flow is generated by the gases released by secondary kerogen destruction. This study demonstrates that oil components are carried by the gas flow and that when the flow reaches a low-pressure zone, it condenses into a liquid with real oil properties. The transportation of oil components in the gas flow provides a natural explanation for the unresolved issues of petroleum geology concerning the migration process. The condensation mechanism can be considered as the main process of oil field formation.

  10. 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...

  11. The role of many-body effects in describing low-lying excited states of pi-conjugated chromophores: high-level equation-of-motion coupled-cluster studies of fused porphyrin systems

    Energy Technology Data Exchange (ETDEWEB)

    Kowalski, Karol [Pacific Northwest National Laboratory (PNNL); Olson, Ryan M [Cray, Inc.; Krishnamoorthy, Sriram [Pacific Northwest National Laboratory (PNNL); Tipparaju, Vinod [ORNL; Apra, Edoardo [ORNL

    2011-01-01

    The unusual photophysical properties of the {pi}-conjugated chromophores make them potential building blocks of various molecular devices. In particular, significant narrowing of the HOMO-LUMO gaps can be observed as an effect of functionalization chromophores with polycyclic aromatic hydrocarbons (PAHs). In this paper we present equation-of-motion coupled cluster (EOMCC) calculations for vertical excitation energies of several functionalized forms of porphyrins. The results for free-base porphyrin (FBP) clearly demonstrate significant differences between functionalization of FBP with one- (anthracene) and two-dimensional (coronene) structures. We also compare the EOMCC results with the experimentally available results for anthracene fused zinc-porphyrin. The impact of various types of correlation effects is illustrated on several benchmark models, where the comparison with the experiment is possible. In particular, we demonstrate that for all excited states considered in this paper, all of them being dominated by single excitations, the inclusion of triply excited configurations is crucial for attaining qualitative agreement with experiment. We also demonstrate the parallel performance of the most computationally intensive part of the completely renormalized EOMCCSD(T) approach (CR-EOMCCSD(T)) across 120000 cores.

  12. Chromophoric dissolved organic matter in experimental mesocosms maintained under different pCO2 levels

    OpenAIRE

    Rochelle-Newall, E.; Delille, B.; Frankignoulle, M.; Gattuso, J.-P.; Jacquet, S.; Riebesell, Ulf; Terbrüggen, A.; Zondervan, I.

    2004-01-01

    Chromophoric dissolved organic matter (CDOM) represents the optically active fraction of the bulk dissolved organic matter (DOM) pool. Recent evidence pointed towards a microbial source of CDOM in the aquatic environment and led to the proposal that phytoplankton is not a direct source of CDOM, but that heterotrophic bacteria, through reprocessing of DOM of algal origin, are an important source of CDOM. In a recent experiment designed at looking at the effects of elevated pCO2 on blooms of th...

  13. Biogeneration of chromophoric dissolved organic matter by bacteria and krill in the southern ocean

    OpenAIRE

    Ortega-Retuerta, E.; Frazer, Thomas K.; Duarte, Carlos M.; Ruiz-Halpern, Sergio; Tovar-Sánchez, Antonio; Arrieta López de Uralde, Jesús M.; Reche, Isabel

    2009-01-01

    Chromophoric dissolved organic matter (CDOM), the optically active fraction of dissolved organic matter, is primarily generated by pelagic organisms in the open ocean. In this study, we experimentally determined the quantity and spectral quality of CDOM generated by bacterioplankton using two different substrates (with and without photoproducts) and by Antarctic krill Euphausia superba and evaluated their potential contributions to CDOM dynamics in the peninsular region of the Southern Ocean....

  14. Resolving Electronic Transitions in Synthetic Fluorescent Protein Chromophores by Magnetic Circular Dichroism

    Czech Academy of Sciences Publication Activity Database

    Štěpánek, P.; Cowie, T. Y.; Šafařík, Martin; Šebestík, Jaroslav; Pohl, Radek; Bouř, Petr

    2016-01-01

    Roč. 17, č. 15 (2016), s. 2348-2354 ISSN 1439-4235 R&D Projects: GA ČR GA13-03978S; GA ČR(CZ) GA16-05935S Institutional support: RVO:61388963 Keywords : density functional calculations * fluorescence protein chromophores * magnetic circular dichroism * organic synthesis * spectral simulations Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.075, year: 2016

  15. Imidazole as a parent π-conjugated backbone in charge-transfer chromophores

    Directory of Open Access Journals (Sweden)

    Jiří Kulhánek

    2012-01-01

    Full Text Available Research activities in the field of imidazole-derived push–pull systems featuring intramolecular charge transfer (ICT are reviewed. Design, synthetic pathways, linear and nonlinear optical properties, electrochemistry, structure–property relationships, and the prospective application of such D-π-A organic materials are described. This review focuses on Y-shaped imidazoles, bi- and diimidazoles, benzimidazoles, bis(benzimidazoles, imidazole-4,5-dicarbonitriles, and imidazole-derived chromophores chemically bound to a polymer chain.

  16. Free volume modifications in chalcone chromophore doped PMMA films by electron irradiation: Positron annihilation study

    Science.gov (United States)

    Ismayil; Ravindrachary, V.; Praveena, S. D.; Mahesha, M. G.

    2018-03-01

    The free volume related fluorescence behaviour in electron beam irradiated chalcone chromophore doped Poly(methyl methacrylate) (PMMA) composite films have been studied using FTIR, UV-Visible, XRD and Positron Annihilation techniques. From the FTIR spectral study it is found that the formation of polarons and bipolaron takes place due to cross linking as well as chain scission processes at lower and higher doses respectively. It reveals that the formation of various polaronic defect levels upon irradiation is responsible for the creation of three optical energy band gaps within the polymer films as obtained from UV-Visible spectra. The crosslinking process at lower doses increases the distance between the pendant groups to reduce the interchain distance and chain scission process at higher doses decreases interchain separation to enhance the number of polarons in the polymer composites as suggested by XRD studies. The fluorescence studies show the enhancement of fluorescence emission at lower doses and reduction at higher doses under electron irradiation. The positron annihilation study suggests that the low radiation doses induce crosslinking which affect the free volume properties and in turn hinders the chalcone molecular rotation within the polymer composite. At higher doses chain scission process support polymer matrix relaxation and facilitates non-radiative transition of the chromophore upon excitation. This study shows that fluorescence enhancement and mobility of chromophore within the polymer matrix is directly related to the free volume around it.

  17. 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.

  18. 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.

  19. Smartphone snapshot mapping of skin chromophores under triple-wavelength laser illumination

    Science.gov (United States)

    Spigulis, Janis; Oshina, Ilze; Berzina, Anna; Bykov, Alexander

    2017-09-01

    Chromophore distribution maps are useful tools for skin malformation severity assessment and for monitoring of skin recovery after burns, surgeries, and other interactions. The chromophore maps can be obtained by processing several spectral images of skin, e.g., captured by hyperspectral or multispectral cameras during seconds or even minutes. To avoid motion artifacts and simplify the procedure, a single-snapshot technique for mapping melanin, oxyhemoglobin, and deoxyhemoglobin of in-vivo skin by a smartphone under simultaneous three-wavelength (448-532-659 nm) laser illumination is proposed and examined. Three monochromatic spectral images related to the illumination wavelengths were extracted from the smartphone camera RGB image data set with respect to crosstalk between the RGB detection bands. Spectral images were further processed accordingly to Beer's law in a three chromophore approximation. Photon absorption path lengths in skin at the exploited wavelengths were estimated by means of Monte Carlo simulations. The technique was validated clinically on three kinds of skin lesions: nevi, hemangiomas, and seborrheic keratosis. Design of the developed add-on laser illumination system, image-processing details, and the results of clinical measurements are presented and discussed.

  20. Mechanism of ascorbic acid interference in biochemical tests that use peroxide and peroxidase to generate chromophore.

    Science.gov (United States)

    Martinello, Flávia; Luiz da Silva, Edson

    2006-11-01

    Ascorbic acid interferes negatively in peroxidase-based tests (Trinder method). However, the precise mechanism remains unclear for tests that use peroxide, a phenolic compound and 4-aminophenazone (4-AP). We determined the chemical mechanism of this interference, by examining the effects of ascorbic acid in the reaction kinetics of the production and reduction of the oxidized chromophore in urate, cholesterol, triglyceride and glucose tests. Reaction of ascorbic acid with the Trinder method constituents was also verified. Ascorbic acid interfered stoichiometrically with all tests studied. However, it had two distinct effects on the reaction rate. In the urate test, ascorbic acid decreased the chromophore formation with no change in its production kinetics. In contrast, in cholesterol, triglyceride and glucose tests, an increase in the lag phase of color development occurred. Of all the Trinder constituents, only peroxide reverted the interference. In addition, ascorbic acid did not interfere with oxidase activity nor reduce significantly the chromophore formed. Peroxide depletion was the predominant chemical mechanism of ascorbic acid interference in the Trinder method with phenolics and 4-AP. Distinctive effects of ascorbic acid on the reaction kinetics of urate, cholesterol, glucose and triglyceride might be due to the rate of peroxide production by oxidases.

  1. 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.

  2. [Effect of Charge-Transfer Complex on Ultraviolet-Visible (UV-Vis) Absorption Property of Chromophoric Dissolved Organic Matter (CDOM) in Waters of Typical Water-Level Fluctuation Zones of the Three Gorges Reservoir Areas].

    Science.gov (United States)

    Jiang, Tao; Liang, Jian; Zhang, Mu-xue; Wang, Ding-yong; Wei, Shi-qiang; Lu, Song

    2016-02-15

    As an important fraction of dissolved organic matter (DOM), chromophoric dissolved organic matter (CDOM) plays a key role in decision of the optical properties and photogeochemistry of DOM, and further affects pollutant fate and global carbon cycle. These optical properties are ascribed to two chromophoric systems including superposition of individual chromophores and charge-transfer (CT) complexation between electron donor (e.g., phenols and indoles) and acceptor (e.g., quinones and other oxidized aromatics) in DOM structures. Thus in this study, based on the "double-chromophoric system" model, DOM samples from four typical water-level fluctuation zones of Three Gorges Reservoir (TGR) areas were selected, to investigate the effect and contribution of charge-transfer complex to ultraviolet-visible (UV-Vis) absorption property of CDOM. Using NaBH, reduction method, original featureless absorption curve was classified into two independent curves caused by individual chromophoric group, which were derived from a simple superposition of independent chromophore and charge-transfer complex, respectively. Also, the changes in curve properties and specific parameters before and after NaBH4 reduction were compared. The results showed that in all DOM samples from the four sites of TGR, more than 35% of absorption was attributed from CT complex. Shibaozhai of Zhongxian and Zhenxi of Fuling showed the highest proportion ( > 50%). It suggested that the role of CT complex in CDOM property could not be neglected. After removal of CT complex, absorption curve showed blue-shift and CDOM concentration [a (355)] decreased significantly. Meanwhile, because of deforming of bonds by reduction, DOM structures became more dispersive and the molecular size was decreased, resulting in the lower spectral slope (S) observed, which evidentially supported that the supermolecular association structure of DOM was self-assembled through CT complex. Meanwhile, deceasing hydrophobic components led

  3. Distilling hydrocarbons, etc

    Energy Technology Data Exchange (ETDEWEB)

    Turner, C

    1917-11-23

    In the fractional or destructive distillation of hydrocarbon oils or other liquids, the pressure in the still is raised and lowered alternately. The still is closed to raise the pressure, and is opened to lower the pressure rapidly solely by expansion of the vapors. The operation is effected without intermittent cooling, except such as may occur during the lowering of the pressure. In distilling hydrocarbon oil, pressure steam is blown into the oil until the pressure reaches 5 lb/in./sup 2/. The vapor outlet is then opened until the pressure falls to 2 lb/in./sup 2/, whereupon the vapor outlet is closed and steam is again admitted. The operation is continued until the steam, which is of 20 lb pressure, no longer effects distillation; after this stage, superheated steam is used.

  4. Distilling hydrocarbon oils

    Energy Technology Data Exchange (ETDEWEB)

    Tausz, J

    1924-07-16

    Hydrocarbon oils such as petroleum, shale oils, lignite or coal tar oils are purified by distilling them and collecting the distillate in fractions within narrow limits so that all the impurities are contained in one or more of the narrow fractions. In distilling ligroin obtained by destructive distillation of brown coal, it is found that the coloring and resin-forming constituents are contained in the fractions distilling over at 62 to 86/sup 0/C and 108/sup 0/C. The ligroin is purified, therefore, by distillating in an apparatus provided with an efficient dephlegmotor and removing these two fractions. The distillation may be carried out wholly or in part under reduced pressure, and fractions separated under ordinary pressure may be subsequently distilled under reduced pressure. The hydrocarbons may be first separated into fractions over wider limits and the separate fractions be subjected to a further fractional distillation.

  5. Nuclear explosives and hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Cohen, P

    1971-10-01

    A nuclear explosive 12 in. in diam and producing very little tritium is feasible in France. Such a device would be well adapted for contained nuclear explosions set off for the purpose of hydrocarbon storage or stimulation. The different aspects of setting off the explosive are reviewed. In the particular case of gas storage in a nuclear cavity in granite, it is demonstrated that the dose of irradiation received is extremely small. (18 refs.)

  6. Treatment of hydrocarbon oils

    Energy Technology Data Exchange (ETDEWEB)

    1936-02-22

    A process is described for refining a mixture of liquid hydrocarbons containing harmful substances, this process permitting the operation, which consists in treating the liquid mixture at a temperature higher than 200/sup 0/C with a solid catalyst of phosphoric acid, consisting of phosphoric acid deposited on a solid support of the type of metallurgical coke, for a time sufficient to convert the harmful components to inoffensive substances.

  7. Biogeochemistry of Halogenated Hydrocarbons

    Science.gov (United States)

    Adriaens, P.; Gruden, C.; McCormick, M. L.

    2003-12-01

    Halogenated hydrocarbons originate from both natural and industrial sources. Whereas direct anthropogenic emissions to the atmosphere and biosphere are often easy to assess, particularly when they are tied to major industrial activities, the attribution of emissions to other human activities (e.g., biomass burning), diffuse sources (e.g., atmospheric discharge, run off), and natural production (e.g., soils, fungi, algae, microorganisms) are difficult to quantify. The widespread occurrence of both alkyl and aryl halides in groundwater, surface water, soils, and various trophic food chains, even those not affected by known point sources, suggests a substantial biogeochemical cycling of these compounds (Wania and Mackay, 1996; Adriaens et al., 1999; Gruden et al., 2003). The transport and reactive fate mechanisms controlling their reactivity are compounded by the differences in sources of alkyl-, aryl-, and complex organic halides, and the largely unknown impact of biogenic processes, such as enzymatically mediated halogenation of organic matter, fungal production of halogenated hydrocarbons, and microbial or abiotic transformation reactions (e.g., Asplund and Grimvall, 1991; Gribble, 1996; Watling and Harper, 1998; Oberg, 2002). The largest source may be the natural halogenation processes in the terrestrial environment, as the quantities detected often exceed the amount that can be explained by human activities in the surrounding areas ( Oberg, 1998). Since biogeochemical processes result in the distribution of a wide range of halogenated hydrocarbon profiles, altered chemical structures, and isomer distributions in natural systems, source apportionment (or environmental forensics) can often only be resolved using multivariate statistical methods (e.g., Goovaerts, 1998; Barabas et al., 2003; Murphy and Morrison, 2002).This chapter will describe the widespread occurrence of halogenated hydrocarbons, interpret their distribution and biogeochemical cycling in light of

  8. Cracking hydrocarbon oils

    Energy Technology Data Exchange (ETDEWEB)

    Seigle, A A.F.M.

    1922-12-20

    Hydrocarbon oils such as petroleum, peat, shale, or lignite oils, heavy tars, resin oils, naphthalene oils, etc., are vaporized by being fed from a tank through a preheater to the lower part of a vertical annular retort heated by a flame projected down the central cavity from a burner. The oil vapors rise through annular passages formed by disks, on which are placed chips of copper, iron, aluminum, etc., to act as catalysts.

  9. High boiling point hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Pier, M

    1929-04-29

    A process is given for the production of hydrocarbons of high boiling point, such as lubricating oils, from bituminous substances, such as varieties of coal, shale, or other solid distillable carbonaceous materials. The process consists of treating the initial materials with organic solvents and then subjecting the products extracted from the initial materials, preferably directly, to a reducing treatment in respect to temperature, pressure, and time. The reduction treatment is performed by means of hydrogen under pressure.

  10. Direct hydrocarbon fuel cells

    Science.gov (United States)

    Barnett, Scott A.; Lai, Tammy; Liu, Jiang

    2010-05-04

    The direct electrochemical oxidation of hydrocarbons in solid oxide fuel cells, to generate greater power densities at lower temperatures without carbon deposition. The performance obtained is comparable to that of fuel cells used for hydrogen, and is achieved by using novel anode composites at low operating temperatures. Such solid oxide fuel cells, regardless of fuel source or operation, can be configured advantageously using the structural geometries of this invention.

  11. Bioremediation of Petroleum Hydrocarbon Contaminated Sites

    Energy Technology Data Exchange (ETDEWEB)

    Fallgren, Paul

    2009-03-30

    Bioremediation has been widely applied in the restoration of petroleum hydrocarbon-contaminated. Parameters that may affect the rate and efficiency of biodegradation include temperature, moisture, salinity, nutrient availability, microbial species, and type and concentration of contaminants. Other factors can also affect the success of the bioremediation treatment of contaminants, such as climatic conditions, soil type, soil permeability, contaminant distribution and concentration, and drainage. Western Research Institute in conjunction with TechLink Environmental, Inc. and the U.S. Department of Energy conducted laboratory studies to evaluate major parameters that contribute to the bioremediation of petroleum-contaminated drill cuttings using land farming and to develop a biotreatment cell to expedite biodegradation of hydrocarbons. Physical characteristics such as soil texture, hydraulic conductivity, and water retention were determined for the petroleum hydrocarbon contaminated soil. Soil texture was determined to be loamy sand to sand, and high hydraulic conductivity and low water retention was observed. Temperature appeared to have the greatest influence on biodegradation rates where high temperatures (>50 C) favored biodegradation. High nitrogen content in the form of ammonium enhanced biodegradation as well did the presence of water near field water holding capacity. Urea was not a good source of nitrogen and has detrimental effects for bioremediation for this site soil. Artificial sea water had little effect on biodegradation rates, but biodegradation rates decreased after increasing the concentrations of salts. Biotreatment cell (biocell) tests demonstrated hydrocarbon biodegradation can be enhanced substantially when utilizing a leachate recirculation design where a 72% reduction of hydrocarbon concentration was observed with a 72-h period at a treatment temperature of 50 C. Overall, this study demonstrates the investigation of the effects of

  12. Rhenium complexes of chromophore-appended dipicolylamine ligands: syntheses, spectroscopic properties, DNA binding and X-ray crystal structure

    International Nuclear Information System (INIS)

    Mullice, L.A.; Buurma, N.J.; Pope, S.J.A.; Laye, R.H.; Harding, L.P.

    2008-01-01

    The syntheses of two chromophore-appended dipicolylamine-derived ligands and their reactivity with penta-carbonyl-chloro-rhenium have been studied. The resultant complexes each possess the fac-Re(CO) 3 core. The ligands L 1 1-[bis(pyridine-2-yl-methyl)amino]methyl-pyrene and L 2 2-[bis(pyridine-2-yl-methyl)amino]methyl-quinoxaline were isolated via a one-pot reductive amination in moderate yield. The corresponding rhenium complexes were isolated in good yields and characterised by 1 H NMR, MS, IR and UV-Vis studies. X-Ray crystallographic data were obtained for fac-{Re(CO) 3 (L 1 )}(BF 4 ), C 34 H 26 BF 4 N 4 O 3 Re: monoclinic, P2(1)/c, a 18.327(2) Angstroms, α = 90.00 degrees, b 14.1537(14) Angstroms, β96.263(6) degrees, c = 23.511(3) Angstroms, γ 90.00 Angstroms, 6062.4(11) (Angstroms) 3 , Z=8. The luminescence properties of the ligands and complexes were also investigated, with the emission attributed to the appended chromophore in each case. Isothermal titration calorimetry suggests that fac-{Re(CO) 3 (L 1 )}(BF 4 ) self-aggregates cooperatively in aqueous solution, probably forming micelle-like aggregates with a cmc of 0.18 mM. Investigations into the DNA-binding properties of fac-{Re(CO) 3 (L 1 )}(BF 4 ) were undertaken and revealed that fac-{Re(CO) 3 (L 1 )}(BF 4 ) binding to fish sperm DNA (binding constant 1.5 ± 0.2 * 10 5 M -1 , binding site size 3.2 ± 0.3 base pairs) is accompanied by changes in the UV-Vis spectrum as typically observed for pyrene-based intercalators while the calorimetrically determined binding enthalpy (-14 ± 2 kcal mol -1 ) also agrees favourably with values as typically found for intercalators. (authors)

  13. Comparison between different bio-treatments of a hydrocarbon ...

    African Journals Online (AJOL)

    Ramya

    2011-10-31

    Oct 31, 2011 ... We investigated the bio-remediation of a hydrocarbon contaminated soil pile that was slated for landfill ... soils, plants and in the food chain (Kipopoulou et al., ...... Scientific and Social Research, Putra Palace, Perlis, Malaysia.

  14. Performance estimation of ejector cycles using heavier hydrocarbon refrigerants

    International Nuclear Information System (INIS)

    Kasperski, Jacek; Gil, Bartosz

    2014-01-01

    Computer software basing on theoretical model of Huang et al. with thermodynamic properties of hydrocarbons was prepared. Investigation was focused on nine hydrocarbons: propane, butane, iso-butane, pentane, iso-pentane, hexane, heptane and octane. A series of calculations was carried out for the generator temperature between 70 and 200 °C, with assumed temperatures of evaporation 10 °C and condensation 40 °C. Calculation results show that none of the hydrocarbons enables high efficiency of a cycle in a wide range of temperature. Each hydrocarbon has its own maximal entrainment ratio at its individual temperature of optimum. Temperatures of entrainment ratios optimum increase according to the hydrocarbon heaviness with simultaneous increase of entrainment ratio peak values. Peak values of the COP do not increase according to the hydrocarbons heaviness. The highest COP = 0.32 is achieved for iso-butane at 102 °C and the COP = 0.28 for pentane at 165 °C. Heptane and octane can be ignored. - Highlights: • Advantages of use of higher hydrocarbons as ejector refrigerants were presumed. • Computer software basing on theoretical model of Huang et al. (1999) was prepared. • Optimal temperature range of vapor generation for each hydrocarbon was calculated

  15. 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.

  16. Characterization of chromophoric dissolved organic matter and relationships among PARAFAC components and water quality parameters in Heilongjiang, China.

    Science.gov (United States)

    Cui, Hongyang; Shi, Jianhong; Qiu, Linlin; Zhao, Yue; Wei, Zimin; Wang, Xinglei; Jia, Liming; Li, Jiming

    2016-05-01

    Chromophoric dissolved organic matter (CDOM) is an important optically active substance that can transports nutrients and pollutants from terrestrial to aquatic systems. Additionally, it is used as a measure of water quality. To investigate the source and composition of CDOM, we used chemical and fluorescent analyses to characterize CDOM in Heilongjiang. The composition of CDOM can be investigated by excitation-emission matrix (EEM) fluorescence and parallel factor analysis (PARAFAC). PARAFAC identified four individual components that were attributed to microbial humic-like (C1) and terrestrial humic-like (C2-4) in water samples collected from the Heilongjiang River. The relationships between the maximum fluorescence intensities of the four PARAFAC components and the water quality parameters indicate that the dynamic of the four components is related to nutrients in the Heilongjiang River. The relationships between the fluorescence component C3 and the biochemical oxygen demand (BOD5) indicates that component C3 makes a great contribution to BOD5 and it can be used as a carbon source for microbes in the Heilongjiang River. Furthermore, the relationships between component C3, the particulate organic carbon (POC), and the chemical oxygen demand (CODMn) show that component C3 and POC make great contributions to BOD5 and CODMn. The use of these indexes along with PARAFAC results would be of help to characterize the co-variation between the CDOM and water quality parameters in the Heilongjiang River.

  17. Insight into the effects of modifying chromophores on the performance of quinoline-based dye-sensitized solar cells

    Science.gov (United States)

    Mao, Mao; Wang, Jian-Bo; Liu, Xiu-Lin; Wu, Guo-Hua; Fang, Xia-Qin; Song, Qin-Hua

    2018-02-01

    A series of organic dyes based on quinoline as an electron-deficient π-linker, were designed and synthesized for dye sensitized solar cells (DSSC) application. These push-pull conjugated dyes, sharing same anchoring group with distinctive electron-rich donating groups such as N,N-diethyl (DEA-Q), 3,6-dimethoxy carbazole (CBZ-Q), bis(4-butoxyphenyl)amine (BPA-Q), were synthesized by Riley oxidation of sbnd CH3 followed by Knoevenagel condensation of the corresponding aldehyde precursors 2a-c with cyanoacrylic acid. The optical, electrochemical, theoretical calculation and photovoltaic properties with these three dyes were systematically investigated. Compared to DEA-Q and CBZ-Q, BPA-Q possesses better light harvesting properties with regard to extended conjugate length, red-shifted intramolecular charge transfer band absorption and broaden light-responsive IPCE spectrum, resulting in a greater short circuit photocurrent density output. BPA-Q also has improved open-circuit voltage due to the apparent large charge recombination resistance. Consequently, assembled with iodine redox electrolytes, the device with BPA-Q achieved the best overall conversion efficiency value of 3.07% among three dyes under AM 1.5G standard conditions. This present investigation demonstrates the importance of various N-substituent chromophores in the prevalent D-π-A type organic sensitizers for tuning the photovoltaic performance of their DSSCs.

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

    DEFF Research Database (Denmark)

    Bora, Ilkay

    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....

  19. Spatiotemporal Characterization of Chromophoric Dissolved Organic Matter (CDOM and CDOM-DOC Relationships for Highly Polluted Rivers

    Directory of Open Access Journals (Sweden)

    Sijia Li

    2016-09-01

    Full Text Available Spectral characteristics of CDOM (Chromophoric dissolved organic matter in water columns are a key parameter for bio-optical modeling. Knowledge of CDOM optical properties and spatial discrepancy based on the relationship between water quality and spectral parameters in the Yinma River watershed with in situ data collected from highly polluted waters are exhibited in this study. Based on the comprehensive index method, the riverine waters showed serious contamination; especially the chemical oxygen demand (COD, iron (Fe, manganese (Mn, mercury (Hg and dissolved oxygen (DO were out of range of the contamination warning. Dissolved organic carbon (DOC and total suspended matter (TSM with prominent non-homogenizing were significantly high in the riverine waters, but chlorophyll-a (Chl-a was the opposite. The ternary phase diagram showed that non-algal particle absorption played an important role in total non-water light absorption (>50% in most sampling locations, and mean contributions of CDOM were 13% and 22% in the summer and autumn, respectively. The analysis of the ratio of absorption at 250–365 nm (E250:365 and the spectral slope (S275–295 indicated that CDOM had higher aromaticity and molecular weight in autumn than in summer, which is consistent with the results of water quality and the CDOM relative contribution rate. Redundancy analysis (RDA indicated that the environmental variables OSM (Organic suspended matter had a strong correlation with CDOM absorption, followed by heavy metals, e.g., Mn, Hg and Cr6+. However, for the specific UV absorbance (SUVA254, the seasonal values showed opposite results compared with the reported literature. The potential reasons were that more UDOM (uncolored dissolved organic matter from human sources (wastewater effluent existed in the waters. Terrigenous inputs simultaneously are in relation to the aCDOM(440-DOC relationship with the correlation coefficient of 0.90 in the summer (two-tailed, p < 0

  20. Investigation of the ionization mechanism of polycyclic aromatic hydrocarbons using an ethanol/bromobenzene/chlorobenzene/anisole mixture as a dopant in liquid chromatography/atmospheric pressure photoionization mass spectrometry

    KAUST Repository

    Amad, Maan H.; Sioud, Salim

    2012-01-01

    RATIONALE An ethanol-based multicomponent dopant consisting of ethanol/chlorobenzene/bromobenzene/anisole (98.975:0.1:0.9:0.025, v/v/v/v) has been used as a dopant for atmospheric pressure photoionization (APPI) of polycyclic aromatic hydrocarbons (PAHs). In this study the mechanism of ionization of PAHs assisted by the ethanol-based multicomponent dopant is investigated. METHODS The reactant background cluster ions of the ethanol-based multicomponent dopant observed in the positive ion APPI were studied. These studies were performed to investigate the mechanism behind the generation of a molecular radical cation (M +•) for PAHs by APPI assisted by the ethanol-based multicomponent dopant. Full scan and MS/MS analyses were conducted using an LTQ Orbitrap mass spectrometer. The effect of acidification of the mobile phase on the dopant cluster ion formation was also investigated. RESULTS With the ethanol-based multicomponent dopant, a single type of molecular radical cation M +• was observed for the studied PAHs. The characteristic ion signal of the multicomponent dopant mixture consisted of mainly anisole photoions at m/z 108.05697 and its adduct ions at m/z 124.05188 and 164.07061. The anisole ion response at m/z 108.05697 was stable in the presence of acetonitrile, methanol, water and 0.1% formic acid mobile phase composition. CONCLUSIONS The abundance formation of anisole photoions shows the universality of this multicomponent dopant in ionizing compounds with ionization energy ranging from 7.1-8.2 eV. Since the ionization energy of anisole is 8.2 eV and is lower than those of chlorobenzene (9.07 eV) and bromobenzene (9.0 eV), the mechanism of formation of anisole photoions even with its very minute amounts was not only governed by its photoionization by the krypton lamp photon energy (10.0 eV and 10.6 eV), but also by charge transfer from bromobenzene and chlorobenzene radical cations. PAH molecules were mainly ionized by charge transfer reaction from

  1. Investigation of the ionization mechanism of polycyclic aromatic hydrocarbons using an ethanol/bromobenzene/chlorobenzene/anisole mixture as a dopant in liquid chromatography/atmospheric pressure photoionization mass spectrometry

    KAUST Repository

    Amad, Maan H.

    2012-09-23

    RATIONALE An ethanol-based multicomponent dopant consisting of ethanol/chlorobenzene/bromobenzene/anisole (98.975:0.1:0.9:0.025, v/v/v/v) has been used as a dopant for atmospheric pressure photoionization (APPI) of polycyclic aromatic hydrocarbons (PAHs). In this study the mechanism of ionization of PAHs assisted by the ethanol-based multicomponent dopant is investigated. METHODS The reactant background cluster ions of the ethanol-based multicomponent dopant observed in the positive ion APPI were studied. These studies were performed to investigate the mechanism behind the generation of a molecular radical cation (M +•) for PAHs by APPI assisted by the ethanol-based multicomponent dopant. Full scan and MS/MS analyses were conducted using an LTQ Orbitrap mass spectrometer. The effect of acidification of the mobile phase on the dopant cluster ion formation was also investigated. RESULTS With the ethanol-based multicomponent dopant, a single type of molecular radical cation M +• was observed for the studied PAHs. The characteristic ion signal of the multicomponent dopant mixture consisted of mainly anisole photoions at m/z 108.05697 and its adduct ions at m/z 124.05188 and 164.07061. The anisole ion response at m/z 108.05697 was stable in the presence of acetonitrile, methanol, water and 0.1% formic acid mobile phase composition. CONCLUSIONS The abundance formation of anisole photoions shows the universality of this multicomponent dopant in ionizing compounds with ionization energy ranging from 7.1-8.2 eV. Since the ionization energy of anisole is 8.2 eV and is lower than those of chlorobenzene (9.07 eV) and bromobenzene (9.0 eV), the mechanism of formation of anisole photoions even with its very minute amounts was not only governed by its photoionization by the krypton lamp photon energy (10.0 eV and 10.6 eV), but also by charge transfer from bromobenzene and chlorobenzene radical cations. PAH molecules were mainly ionized by charge transfer reaction from

  2. Photodynamic activity of polycyclic hydrocarbon

    Energy Technology Data Exchange (ETDEWEB)

    Epstein, S S

    1963-01-01

    Exposure of Paramecium caudatum to suspensions of 3,4-benzopyrene, followed by long wave ultraviolet irradiation, results in cell death at times related, inter alia, to carcinogen concentration. Prior to death, the cells exhibit progressive immobilization and blebbing. This photodynamic response is a sensitized photo-oxidation, as it is oxygen-dependent and inhibited by anti-oxidants, such as butylated hydroxy anisole and ..cap alpha..-tocopherol. Protection is also afforded by other agents, including Tweens, tryptophan and certain fractions of plasma proteins. No evidence was found for the involvement of peroxides or sulfhydryl groups. The correlations between photodynamic toxicity and carcinogenicity in a large series of polycyclic hydrocarbons is under investigation. Assays of air extracts for photodynamic toxicity are in progress. Significant toxicity has been found in oxygenated besides aromatic fractions.

  3. Measuring Trace Hydrocarbons in Silanes

    Science.gov (United States)

    Lesser, L. A.

    1984-01-01

    Technique rapid and uses standard analytical equipment. Silane gas containing traces of hydrocarbons injected into carrier gas of moist nitrogen having about 0.2 percent water vapor. Carrier, water and silane pass through short column packed with powdered sodium hydroxide which combines moisture and silane to form nonvolatile sodium silicate. Carrier gas free of silane but containing nonreactive hydrocarbons, pass to silica-gel column where chromatographic separation takes place. Hydrocarbons measured by FID.

  4. Fractional separation of hydrocarbon vapours

    Energy Technology Data Exchange (ETDEWEB)

    1937-07-10

    A process is described for converting higher boiling hydrocarbons to lower boiling hydrocarbons by subjecting them at elevated temperatures to a conversion operation, then separating the higher and lower boiling fractions. The separation takes place while the reaction products are maintained in the vapor phase by contact with a mass of solid porous material which has little or no catalytic activity but does have a preferential absorption property for higher boiling hydrocarbons so that the lower boiling part of the reaction products pass through the separation zone while the heavier hydrocarbons are retained. The separation is accomplished without substantial loss of heat of these reaction products.

  5. The presence of hydrocarbons in southeast Norway

    DEFF Research Database (Denmark)

    Hanken, Niels Martin; Hansen, Malene Dolberg; Kresten Nielsen, Jesper

    Hydrocarbons, mostly found as solid pyrobitumen, are known from more than 30 localities in southeast Norway. They occur as inclusions in a wide range of "reservoir rocks" spanning from Permo-Carboniferous breccias to veins (vein quartz and calcite veins) in Precambrian granites, gneisses and amph......Hydrocarbons, mostly found as solid pyrobitumen, are known from more than 30 localities in southeast Norway. They occur as inclusions in a wide range of "reservoir rocks" spanning from Permo-Carboniferous breccias to veins (vein quartz and calcite veins) in Precambrian granites, gneisses......, indicating that Alum Shale was the most important source rock. Petrographic investigations combined with stable isotope analyses (d13C and d18O) of the cement containing pyrobitumen indicate two phases of hydrocarbon migration. The first phase probably took place in Upper Silurian to Lower Devonian time......, when the Alum Shale entered the oil window. These hydrocarbons are mostly found as pyrobitumen in primary voids and calcite cemented veins in Cambro-Silurian sedimentary deposits. The second phase is probably of Late Carboniferous/Permian age and was due to the increased heat flow during the formation...

  6. Process for preparing hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Krauch, C; Anther, E; Pier, M

    1926-04-07

    A process is described for the conversion of coal of all kinds, wood, oil, shale, as well as other carbonaceous materials into liquid hydrocarbons in two steps, characterized by treatment of the coal and so forth with a stream of hydrogen or hydrogen-containing gases at raised temperatures and raised pressures and producing a tarry product which, after separation of the ashlike residue, is converted by a further treatment, in the presence of catalysts, with hydrogen or hydrogen-containing gases at raised temperature and pressure, largely into low-boiling products.

  7. Recovering valuable liquid hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Pier, M

    1931-06-11

    A process for recovering valuable liquid hydrocarbons from coking coal, mineral coal, or oil shale through treatment with hydrogen under pressure at elevated temperature is described. Catalysts and grinding oil may be used in the process if necessary. The process provides for deashing the coal prior to hydrogenation and for preventing the coking and swelling of the deashed material. During the treatment with hydrogen, the coal is either mixed with coal low in bituminous material, such as lean coal or active coal, as a diluent or the bituminous constituents which cause the coking and swelling are removed by extraction with solvents. (BLM)

  8. Hydrogen production from hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Docekal, J

    1986-01-01

    Hydrogen is an important feed stock for chemical and petroleum industries, in addition to being considered as the energy carrier of the future. At the present time the feed stock hydrogen is mainly manufactured from hydrocarbons using steam reforming. In steam reforming two processes are employed, the conventional process and PSA (pressure swing adsorption) process. These two processes are described and compared. The results show that the total costs and the maintenance costs are lower for the PSA process, the capital outlay is lower for the conventional process, and the operating costs are similar for the two processes.

  9. Chromophoric dissolved organic matter and microbial enzymatic activity. A biophysical approach to understand the marine carbon cycle.

    Science.gov (United States)

    Gonnelli, Margherita; Vestri, Stefano; Santinelli, Chiara

    2013-12-01

    This study reports the first information on extracellular enzymatic activity (EEA) combined with a study of DOM dynamics at the Arno River mouth. DOM dynamics was investigated from both a quantitative (dissolved organic carbon, DOC) and a qualitative (absorption and fluorescence of chromophoric DOM, CDOM) perspective. The data here reported highlight that the Arno River was an important source of both DOC and CDOM for this coastal area. CDOM optical properties suggested that terrestrial DOM did not undergo simple dilution at the river mouth but, other physical-chemical and biological processes were probably at work to change its molecular characteristics. This observation was further supported by the "potential" enzymatic activity of β-glucosidase (BG) and leucine aminopeptidase (LAP). Their Vmax values were markedly higher in the river water than in the seawater and their ratio suggested that most of the DOM used by microbes in the Arno River was polysaccharide-like, while in the seawater it was mainly protein-like. © 2013. Published by Elsevier B.V. All rights reserved.

  10. Light-harvesting dendrimer zinc-phthalocyanines chromophores labeled single-wall carbon nanotube nanoensembles: Synthesis and photoinduced electron transfer

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Hongqin [Key Laboratory of Optoelectronic Science and Technology for Medicine, Ministry of Education and Fujian Provincial Key Laboratory for Photonics Technology, Fujian Normal University, Fuzhou 350007 (China); Pan, Sujuan; Ma, Dongdong; He, Dandan; Wang, Yuhua [College of Chemistry & Engineering, Fujian Provincial Key Laboratory of Polymer Materials, Fujian Normal University, Fuzhou 350007 (China); Xie, Shusen [Key Laboratory of Optoelectronic Science and Technology for Medicine, Ministry of Education and Fujian Provincial Key Laboratory for Photonics Technology, Fujian Normal University, Fuzhou 350007 (China); Peng, Yiru, E-mail: yirupeng@fjnu.edu.cn [College of Chemistry & Engineering, Fujian Provincial Key Laboratory of Polymer Materials, Fujian Normal University, Fuzhou 350007 (China)

    2016-11-15

    A novel series of light-harvesting dendrimer zinc-phthalocyanines chromophores labeled-single-wall carbon nanotubes (SWNTs) nanoparticles, in which 0–2 generations dendrimer zinc phthalocyanines covalently linked with SWNTs using either ethylenediamine or hexamethylenediamine as the space linkers were prepared. The structures and morphologies of these nanoconjugates were comprehensively characterized by Raman spectroscopy, transmission electron microscopy and thermal gravimetric analysis methods. Their photophysical properties were investigated by fluorescence and time-resolved spectroscopic methods. The photoinduced intramolecular electron transfer occurred from phthalocyanines (donors) to SWNTs (acceptors). Besides, the electron transfer exchange rates and exchange efficacies between the dendritic phthalocyanines and single-wall carbon nanotubes increased as the length of spacer linker decreased, or as the dendritic generation increased. Cyclic voltammetry (CV) method further confirmed thermodynamics possibility of the electron transfer from phthalocyanines to single-wall carbon nanotubes. These new nanoconjugates are fundamentally important due to the synergy effects of both carbon nanotubes and dendrimer phthalocyanines, which may find potential applications in the fields of drug delivery, biological labeling, or others.

  11. Design and synthesis of bipyridine platinum(II) bisalkynyl fullerene donor-chromophore-acceptor triads with ultrafast charge separation.

    Science.gov (United States)

    Lee, Sai-Ho; Chan, Chris Tsz-Leung; Wong, Keith Man-Chung; Lam, Wai Han; Kwok, Wai-Ming; Yam, Vivian Wing-Wah

    2014-07-16

    Donor-chromophore-acceptor triads, (PTZ)2-Pt(bpy)-C60 and ((t)BuPTZ)2-Pt(bpy)-C60, along with their model compound, (Ph)2-Pt(bpy)-C60, have been synthesized and characterized; their photophysical and electrochemical properties have been studied, and the origin of the absorption and emission properties has been supported by computational studies. The photoinduced electron transfer reactions have been investigated using the femtosecond and nanosecond transient absorption spectroscopy. In dichloromethane, (Ph)2-Pt(bpy)-C60 shows ultrafast triplet-triplet energy transfer from the (3)MLCT/LLCT excited state within 4 ps to give the (3)C60* state, while in (PTZ)2-Pt(bpy)-C60 and ((t)BuPTZ)2-Pt(bpy)-C60, charge-separated state forms within 400 fs from the (3)MLCT/LLCT excited state with efficiency of over 0.90, and the total efficiency with the contribution of (3)C60* is estimated to be 0.99. Although the forward electron transfer reactions are very rapid, the charge-separated state recombines to the singlet ground state at a time of hundreds of nanoseconds because of the difference in spin multiplicity between the charge-separated state and the ground state.

  12. Chromophore photophysics and dynamics in fluorescent proteins of the GFP family

    International Nuclear Information System (INIS)

    Nienhaus, Karin; Nienhaus, G Ulrich

    2016-01-01

    Proteins of the green fluorescent protein (GFP) family are indispensable for fluorescence imaging experiments in the life sciences, particularly of living specimens. Their essential role as genetically encoded fluorescence markers has motivated many researchers over the last 20 years to further advance and optimize these proteins by using protein engineering. Amino acids can be exchanged by site-specific mutagenesis, starting with naturally occurring proteins as templates. Optical properties of the fluorescent chromophore are strongly tuned by the surrounding protein environment, and a targeted modification of chromophore-protein interactions requires a profound knowledge of the underlying photophysics and photochemistry, which has by now been well established from a large number of structural and spectroscopic experiments and molecular-mechanical and quantum-mechanical computations on many variants of fluorescent proteins. Nevertheless, such rational engineering often does not meet with success and thus is complemented by random mutagenesis and selection based on the optical properties. In this topical review, we present an overview of the key structural and spectroscopic properties of fluorescent proteins. We address protein-chromophore interactions that govern ground state optical properties as well as processes occurring in the electronically excited state. Special emphasis is placed on photoactivation of fluorescent proteins. These light-induced reactions result in large structural changes that drastically alter the fluorescence properties of the protein, which enables some of the most exciting applications, including single particle tracking, pulse chase imaging and super-resolution imaging. We also present a few examples of fluorescent protein application in live-cell imaging experiments. (topical review)

  13. Chromophore photophysics and dynamics in fluorescent proteins of the GFP family

    Science.gov (United States)

    Nienhaus, Karin; Nienhaus, G. Ulrich

    2016-11-01

    Proteins of the green fluorescent protein (GFP) family are indispensable for fluorescence imaging experiments in the life sciences, particularly of living specimens. Their essential role as genetically encoded fluorescence markers has motivated many researchers over the last 20 years to further advance and optimize these proteins by using protein engineering. Amino acids can be exchanged by site-specific mutagenesis, starting with naturally occurring proteins as templates. Optical properties of the fluorescent chromophore are strongly tuned by the surrounding protein environment, and a targeted modification of chromophore-protein interactions requires a profound knowledge of the underlying photophysics and photochemistry, which has by now been well established from a large number of structural and spectroscopic experiments and molecular-mechanical and quantum-mechanical computations on many variants of fluorescent proteins. Nevertheless, such rational engineering often does not meet with success and thus is complemented by random mutagenesis and selection based on the optical properties. In this topical review, we present an overview of the key structural and spectroscopic properties of fluorescent proteins. We address protein-chromophore interactions that govern ground state optical properties as well as processes occurring in the electronically excited state. Special emphasis is placed on photoactivation of fluorescent proteins. These light-induced reactions result in large structural changes that drastically alter the fluorescence properties of the protein, which enables some of the most exciting applications, including single particle tracking, pulse chase imaging and super-resolution imaging. We also present a few examples of fluorescent protein application in live-cell imaging experiments.

  14. Design, Structure, and Optical Properties of Organic-Inorganic Perovskites Containing an Oligothiophene Chromophore.

    Science.gov (United States)

    Mitzi, David B.; Chondroudis, Konstantinos; Kagan, Cherie R.

    1999-12-27

    A quaterthiophene derivative, 5,5' "-bis(aminoethyl)-2,2':5',2' ':5' ',2' "-quaterthiophene (AEQT), has been selected for incorporation within the layered organic-inorganic perovskite structure. In addition to having an appropriate molecular shape and two tethering aminoethyl groups to bond to the inorganic framework, AEQT is also a dye and can influence the optical properties of lead(II) halide-based perovskites. Crystals of C(20)H(22)S(4)N(2)PbBr(4) were grown from a slowly cooled aqueous solution containing lead(II) bromide and quaterthiophene derivative (AEQT.2HBr) salts. The new layered perovskite adopts a monoclinic (C2/c) subcell with the lattice parameters a = 39.741(2) Å, b = 5.8420(3) Å, c = 11.5734(6) Å, beta = 92.360(1) degrees, and Z = 4. Broad superstructure peaks are observed in the X-ray diffraction data, indicative of a poorly ordered, doubled supercell along both the a and b axes. The quaterthiophene segment of AEQT(2+) is nearly planar, with a syn-anti-syn relationship between adjacent thiophene rings. Each quaterthiophene chromophore is ordered between nearest-neighbor lead(II) bromide sheets in a herringbone arrangement with respect to neighboring quaterthiophenes. Room temperature optical absorption spectra for thermally ablated films of the perovskites (AEQT)PbX(4) (X = Cl, Br, I) exhibit an exciton peak arising from the lead(II) halide sheets, along with absorption from the quaterthiophene moiety. No evidence of the inorganic sheet excitonic transition is observed in the photoluminescence spectra for any of the chromophore-containing perovskites. However, strong quaterthiophene photoluminescence is observed for X = Cl, with an emission peak at approximately lambda(max) = 532 nm. Similar photoluminescence is observed for the X = Br and I materials, but with substantial quenching, as the inorganic layer band gap decreases relative to the chromophore HOMO-LUMO gap.

  15. Characteristics of Chromophoric and Fluorescent Dissolved Organic Matter in the Nordic Seas

    OpenAIRE

    Makarewicz, Anna; Kowalczuk, Piotr; Sagan, Sławomir; Granskog, Mats A.; Pavlov, Alexey K.; Zdun, Agnieszka; Borzycka, Karolina; Zabłocka, Monika

    2018-01-01

    Optical properties of Chromophoric (CDOM) and Fluorescent Dissolved Organic Matter (FDOM) were characterized in the Nordic Seas including the West Spitsbergen Shelf during June–July of 2013, 2014 and 2015. The CDOM absorption coefficient at 350 nm, aCDOM(350) showed significant interannual variation. In 2013, the highest average aCDOM(350) values (aCDOM = 0.30 ± 0.12 m−1) were observed due to the influence of cold and low–saline wat...

  16. Second harmonic generation and photochromic grating in polyurethane films containing diazo isoxazole chromophore

    Science.gov (United States)

    Marański, Krzysztof; Kucharski, Stanisław; Ortyl, Ewelina; Nunzi, Jean-Michel; Ahmadi-Kandjani, Sohrab; Dabos-Seignon, Sylvie; Chan, Siu-Wai; Barille, Regis

    2008-08-01

    The chromophoric intermediate: 2,2'-({4-[( E)-(5-methylisoxazol-3-yl)diazenyl]phenyl}-imino)diethanol was used in polyaddition reaction with di-isocyanate to obtain a new polyurethane polymeric material showing nonlinear optical and photochromic properties. The maximum absorption band of the polymer film was at 418 nm. The illumination of the film with crossed beams of the 488 nm Ar + laser yielded surface relief grating of regular structure. Measurement of the frequency doubling signal with 1064 nm laser indicated the polymer as interesting material for photooptical applications. The measured nonlinear optical coefficient, d33, reached 90.2 pm/V.

  17. Determination of retinal chromophore structure in bacteriorhodopsin with resonance Raman spectroscopy.

    Science.gov (United States)

    Smith, S O; Lugtenburg, J; Mathies, R A

    1985-01-01

    The analysis of the vibrational spectrum of the retinal chromophore in bacteriorhodopsin with isotopic derivatives provides a powerful "structural dictionary" for the translation of vibrational frequencies and intensities into structural information. Of importance for the proton-pumping mechanism is the unambiguous determination of the configuration about the C13=C14 and C=N bonds, and the protonation state of the Schiff base nitrogen. Vibrational studies have shown that in light-adapted BR568 the Schiff base nitrogen is protonated and both the C13=C14 and C=N bonds are in a trans geometry. The formation of K625 involves the photochemical isomerization about only the C13=C14 bond which displaces the Schiff base proton into a different protein environment. Subsequent Schiff base deprotonation produces the M412 intermediate. Thermal reisomerization of the C13=C14 bond and reprotonation of the Schiff base occur in the M412------O640 transition, resetting the proton-pumping mechanism. The vibrational spectra can also be used to examine the conformation about the C--C single bonds. The frequency of the C14--C15 stretching vibration in BR568, K625, L550 and O640 argues that the C14--C15 conformation in these intermediates is s-trans. Conformational distortions of the chromophore have been identified in K625 and O640 through the observation of intense hydrogen out-of-plane wagging vibrations in the Raman spectra (see Fig. 2). These two intermediates are the direct products of chromophore isomerization. Thus it appears that following isomerization in a tight protein binding pocket, the chromophore cannot easily relax to a planar geometry. The analogous observation of intense hydrogen out-of-plane modes in the primary photoproduct in vision (Eyring et al., 1982) suggests that this may be a general phenomenon in protein-bound isomerizations. Future resonance Raman studies should provide even more details on how bacterio-opsin and retinal act in concert to produce an

  18. Bioinspired synthesis of pentalene-based chromophores from an oligoketone chain.

    Science.gov (United States)

    Saito, Yuki; Higuchi, Masayuki; Yoshioka, Shota; Senboku, Hisanori; Inokuma, Yasuhide

    2018-04-24

    We report a bioinspired synthesis of 2,5-dihydropentalene-based chromophores from an aliphatic oligoketone bearing 1,3- and 1,4-diketone subunits. Unlike the natural polyketone sequence, fused five-membered rings were formed via an intramolecular aldol condensation. A subsequent Knoevenagel condensation reaction with malononitrile furnished a multiply cross-conjugated π-system with low-lying LUMO levels. Furthermore, pentalenes obtained from a non-conjugated aliphatic chain exhibited visible absorption and solid-state fluorescence.

  19. Direct and Indirect Electron Emission from the Green Fluorescent Protein Chromophore

    Science.gov (United States)

    Toker, Y.; Rahbek, D. B.; Klærke, B.; Bochenkova, A. V.; Andersen, L. H.

    2012-09-01

    Photoelectron spectra of the deprotonated green fluorescent protein chromophore have been measured in the gas phase at several wavelengths within and beyond the S0-S1 photoabsorption band of the molecule. The vertical detachment energy (VDE) was determined to be 2.68±0.1eV. The data show that the first electronically excited state is bound in the Franck-Condon region, and that electron emission proceeds through an indirect (resonant) electron-emission channel within the corresponding absorption band.

  20. New organic photorefractive material composed of a charge-transporting dendrimer and a stilbene chromophore

    Science.gov (United States)

    Bai, Jaeil; Ducharme, Stephen; Leonov, Alexei G.; Lu, Liu; Takacs, James M.

    1999-10-01

    In this report, we introduce new organic photorefractive composites consisting of charge transporting den-drimers highly doped with a stilbene nonlinear optic chromophore, The purpose of making these composites is to improve charge transport, by reducing inhomogeneity when compared to ordinary polymer-based systems. Because the structure of this material gives us freedom to control the orientation of charge transport agents synthetically, we can study the charge transport mechanism more systematically than in polymers. We discuss this point and present the characterization results for this material.

  1. Wide-range tuning of polymer microring resonators by the photobleaching of CLD-1 chromophores

    Science.gov (United States)

    Poon, Joyce K. S.; Huang, Yanyi; Paloczi, George T.; Yariv, Amnon; Zhang, Cheng; Dalton, Larry R.

    2004-11-01

    We present a simple and effective method for the postfabrication trimming of optical microresonators. We photobleach CLD-1 chromophores to tune the resonance wavelengths of polymer microring resonator optical notch filters. A maximum wavelength shift of -8.73 nm is observed. The resonators are fabricated with a soft-lithography molding technique and have an intrinsic Q value of 2.6×10^4 and a finesse of 9.3. The maximum extinction ratio of the resonator filters is -34 dB, indicating that the critical coupling condition has been satisfied.

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

    Directory of Open Access Journals (Sweden)

    Mendoza-Mendieta ME

    2016-03-01

    Full Text Available María Elena Mendoza-Mendieta, Ana Aurora Lorenzo-Mejía Association to Prevent Blindness in Mexico (APEC, Hospital “Dr Luis Sánchez Bulnes”, Mexico City, Mexico 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 phacoemulsification 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

  3. Synthesis and Properties of the p-Sulfonamide Analogue of the Green Fluorescent Protein (GFP) Chromophore: The Mimic of GFP Chromophore with Very Strong N-H Photoacid Strength.

    Science.gov (United States)

    Chen, Yi-Hui; Sung, Robert; Sung, Kuangsen

    2018-04-06

    The para-sulfonamide analogue ( p-TsABDI) of a green fluorescent protein (GFP) chromophore was synthesized to mimic the GFP chromophore. Its S 1 excited-state p K a * value in dimethylsulfoxide (DMSO) is -1.5, which is strong enough to partially protonate dipolar aprotic solvents and causes excited-state proton transfer (ESPT), so it can partially mimic the GFP chromophore to further study the ESPT-related photophysics and the blinking phenomenon of GFP. In comparison with 8-hydroxypyrene-1,3,6-trisulfonate (HPTS) (p K a = 7.4, p K a * = 1.3 in water), p-TsABDI (p K a = 6.7, p K a * = -1.5 in DMSO) is a better photoacid for pH-jump studies.

  4. Determination of polynuclear hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Lodge, Jr, J P

    1963-01-01

    At the present time, the method of choice for the determination of polynuclear hydrocarbons appears to be the following, (a) extraction of the benzene-soluble fraction from the gross collected particulate matter, (b) one pass through a chromatographic column of partially deactivated alumina, (c) spectral examination of the fractions and (d) the application of appropriate chemical tests as indicated by the previous step. Using this method, the presence of pyrene, fluoranthene, one of the benzofluorenes, chrysens, benz(a)anthracene, benzo(a)pyrene, benzo(e)pyrene, benzo(k)fluoranthene, anthanthrene, and coronene was demonstrated in the air of numerous American cities, and benzo(a)pyrene was measured at some 130 sites. Invaluable as such accurate determinations may be for research purposes, they are still too costly and time-consuming for routine survey purposes. While studies on the subject are by no means complete, they indicate the validity of piperonal chloride test as a general index of polycyclic hydrocarbons. This procedure is described in this paper. 7 references.

  5. Hydrocarbons: source of energy

    International Nuclear Information System (INIS)

    Imarisio, G.; Frias, M.; Bemtgen, J.M.

    1989-01-01

    Hydrocarbons are at present the single most important source of energy, since they are the most versatile and widely used. It is expected that their importance will extend well into the next century and therefore it is essential to provide for all those improvements which will extend their availability and usefulness. The sub-programme ''Optimization of the production and utilization of hydrocarbons'' (within the Non-Nuclear Energy R and D Programme of the European Communities) is pursuing a number of R and D topics aimed at the above-mentioned results. It is implemented by means of shared-cost R and D contracts. At this first Seminar held in Lyon (France) from 21-23 September, 1988, all contractors of the sub-programme presented the state of progress of their R and D projects. These proceedings comprise all the papers presented at the Seminar. The section on oilfield exploration includes a report of work on the interpretation of nuclear logs by means of mathematical models. (author)

  6. Steam hydrocarbon cracking and reforming

    NARCIS (Netherlands)

    Golombok, M.

    2004-01-01

    Many industrial chemical processes are taught as distinct contrasting reactions when in fact the unifying comparisons are greater than the contrasts. We examine steam hydrocarbon reforming and steam hydrocarbon cracking as an example of two processes that operate under different chemical reactivity

  7. Saturated versus unsaturated hydrocarbon interactions with carbon nanostructures

    Directory of Open Access Journals (Sweden)

    Deivasigamani eUmadevi

    2014-09-01

    Full Text Available The interactions of various acyclic and cyclic hydrocarbons in both saturated and unsaturated forms with the carbon nanostructures (CNSs have been explored by using density functional theory (DFT calculations. Model systems representing armchair and zigzag carbon nanotubes (CNTs and graphene have been considered to investigate the effect of chirality and curvature of the CNSs towards these interactions. Results of this study reveal contrasting binding nature of the acyclic and cyclic hydrocarbons towards CNSs. While the saturated molecules show stronger binding affinity in acyclic hydrocarbons; the unsaturated molecules exhibit higher binding affinity in cyclic hydrocarbons. In addition, acyclic hydrocarbons exhibit stronger binding affinity towards the CNSs when compared to their corresponding cyclic counterparts. The computed results excellently corroborate the experimental observations. The interaction of hydrocarbons with graphene is more favourable when compared with CNTs. Bader’s theory of atoms in molecules has been invoked to characterize the noncovalent interactions of saturated and unsaturated hydrocarbons. Our results are expected to provide useful insights towards the development of rational strategies for designing complexes with desired noncovalent interaction involving CNSs.

  8. A Light-Induced Reaction with Oxygen Leads to Chromophore Decomposition and Irreversible Photobleaching in GFP-Type Proteins.

    Science.gov (United States)

    Grigorenko, Bella L; Nemukhin, Alexander V; Polyakov, Igor V; Khrenova, Maria G; Krylov, Anna I

    2015-04-30

    Photobleaching and photostability of proteins of the green fluorescent protein (GFP) family are crucially important for practical applications of these widely used biomarkers. On the basis of simulations, we propose a mechanism for irreversible bleaching in GFP-type proteins under intense light illumination. The key feature of the mechanism is a photoinduced reaction of the chromophore with molecular oxygen (O2) inside the protein barrel leading to the chromophore's decomposition. Using quantum mechanics/molecular mechanics (QM/MM) modeling we show that a model system comprising the protein-bound Chro(-) and O2 can be excited to an electronic state of the intermolecular charge-transfer (CT) character (Chro(•)···O2(-•)). Once in the CT state, the system undergoes a series of chemical reactions with low activation barriers resulting in the cleavage of the bridging bond between the phenolic and imidazolinone rings and disintegration of the chromophore.

  9. Water-Soluble Triarylborane Chromophores for One- and Two-Photon Excited Fluorescence Imaging of Mitochondria in Cells.

    Science.gov (United States)

    Griesbeck, Stefanie; Zhang, Zuolun; Gutmann, Marcus; Lühmann, Tessa; Edkins, Robert M; Clermont, Guillaume; Lazar, Adina N; Haehnel, Martin; Edkins, Katharina; Eichhorn, Antonius; Blanchard-Desce, Mireille; Meinel, Lorenz; Marder, Todd B

    2016-10-04

    Three water-soluble tetracationic quadrupolar chromophores comprising two three-coordinate boron π-acceptor groups bridged by thiophene-containing moieties were synthesised for biological imaging applications. Compound 3 containing the bulkier 5-(3,5-Me2 C6 H2 )-2,2'-(C4 H2 S)2 -5'-(3,5-Me2 C6 H2 ) bridge is stable over a long period of time, exhibits a high fluorescence quantum yield and strong one- and two-photon absorption (TPA), and has a TPA cross section of 268 GM at 800 nm in water. Confocal laser scanning fluorescence microscopy studies in live cells indicated localisation of the chromophore at the mitochondria; moreover, cytotoxicity measurements proved biocompatibility. Thus, chromophore 3 has excellent potential for one- and two-photon-excited fluorescence imaging of mitochondrial function in cells. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. 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.

  11. The importance of charge-transfer interactions in determining chromophoric dissolved organic matter (CDOM) optical and photochemical properties.

    Science.gov (United States)

    Sharpless, Charles M; Blough, Neil V

    2014-04-01

    Absorption of sunlight by chromophoric dissolved natural organic matter (CDOM) is environmentally significant because it controls photic zone depth and causes photochemistry that affects elemental cycling and contaminant fate. Both the optics (absorbance and fluorescence) and photochemistry of CDOM display unusual properties that cannot easily be ascribed to a superposition of individual chromophores. These include (i) broad, unstructured absorbance that decreases monotonically well into the visible and near IR, (ii) fluorescence emission spectra that all fall into a single envelope regardless of the excitation wavelength, and (iii) photobleaching and photochemical quantum yields that decrease monotonically with increasing wavelength. In contrast to a simple superposition model, these phenomena and others can be reasonably well explained by a physical model in which charge-transfer interactions between electron donating and accepting chromophores within the CDOM control the optical and photophysical properties. This review summarizes current understanding of the processes underlying CDOM photophysics and photochemistry as well as their physical basis.

  12. Catalytic Upgrading of Sugars to Hydrocarbons Technology Pathway

    Energy Technology Data Exchange (ETDEWEB)

    Biddy, M.; Jones, S.

    2013-03-01

    This technology pathway case investigates the catalytic conversion of solubilized carbohydrate streams to hydrocarbon biofuels, utilizing data from recent efforts within the National Advanced Biofuels Consortium (NABC) in collaboration with Virent, Inc. Technical barriers and key research needs that should be pursued for the catalytic conversion of sugars pathway to be competitive with petroleum-derived gasoline-, diesel-, and jet-range hydrocarbon blendstocks have been identified.

  13. Refractive index modulation in the polyurethane films containing diazo sulfonamide chromophores

    Energy Technology Data Exchange (ETDEWEB)

    Ortyl, E. [Insitute of Organic and Polymer Technology, WrocIaw University of Technology, 50-384 WrocIaw (Poland); Kucharski, S. [Insitute of Organic and Polymer Technology, WrocIaw University of Technology, 50-384 WrocIaw (Poland)]. E-mail: stanislaw.kucharski@pwr.wroc.pl; Gotszalk, T. [Faculty of Microsystem Electronics and Photonics, WrocIaw University of Technology, 50-384 WrocIaw (Poland)

    2005-05-23

    The series of photochromic polyurethanes was obtained by modification of precursor polymers prepared from 4,4'-diphenylmethane diisocyanate (MDI), hexamethylene 1,6-diisocyanate (HDI) or toluene 2,4-diisocyanate (TDI) and N,N'-di-(2-hydroxyethyl) aniline. The precursor polymers were functionalized by an azo-coupling reaction to form the polymers with different degrees of functionalization and various heterocyclic sulfonamide groups. Ellipsometric measurements showed a decrease of the refractive index during illumination of thin polymer films with white light. The change of real part of the refractive index was in the range of 0.0033-0.0296 depending on the polymer kind and chromophore content. It was found that photocurrent was generated in the polymer films deposited onto indium tin oxide (ITO) glass plates. For the polyurethanes containing sulfathiazole groups in side chains the current density was up to 180 nA/cm{sup 2}. The formation of diffraction grating in the polymer films was easily achieved using linearly polarized laser light (532 nm) in a standard two beam coupling (TBC) system. The diffraction efficiency of the first diffraction beam was dependent on the chromophore content reaching ca. 12% for the derivatives of sulfamethoxazole.

  14. Electron transfer in silicon-bridged adjacent chromophores: the source for blue-green emission.

    Science.gov (United States)

    Bayda, Malgorzata; Angulo, Gonzalo; Hug, Gordon L; Ludwiczak, Monika; Karolczak, Jerzy; Koput, Jacek; Dobkowski, Jacek; Marciniak, Bronislaw

    2017-05-10

    Si-Bridged chromophores have been proposed as sources for blue-green emission in several technological applications. The origin of this dual emission is to be found in an internal charge transfer reaction. The current work is an attempt to describe the details of these processes in these kinds of substances, and to design a molecular architecture to improve their performance. Nuclear motions essential for intramolecular charge transfer (ICT) can involve processes from twisted internal moieties to dielectric relaxation of the solvent. To address these issues, we studied ICT between adjacent chromophores in a molecular compound containing N-isopropylcarbazole (CBL) and 1,4-divinylbenzene (DVB) linked by a dimethylsilylene bridge. In nonpolar solvents emission arises from the local excited state (LE) of carbazole whereas in solvents of higher polarity dual emission was detected (LE + ICT). The CT character of the additional emission band was concluded from the linear dependence of the fluorescence maxima on solvent polarity. Electron transfer from CBL to DVB resulted in a large excited-state dipole moment (37.3 D) as determined from a solvatochromic plot and DFT calculations. Steady-state and picosecond time-resolved fluorescence experiments in butyronitrile (293-173 K) showed that the ICT excited state arises from the LE state of carbazole. These results were analyzed and found to be in accordance with an adiabatic version of Marcus theory including solvent relaxation.

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

    International Nuclear Information System (INIS)

    Clark, Catherine D.; Bruyn, Warren de; Jones, Joshua G.

    2014-01-01

    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 (H 2 O 2 ) 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 H 2 O 2 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 (Θ app ; 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

  16. 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.

  17. Canada's hydrocarbon processing evolution

    International Nuclear Information System (INIS)

    Wise, T.H.; Horton, R.

    2000-01-01

    The development of petroleum refining, petrochemicals and natural gas industries in Canada are discussed together with future issues and prospects. Figures give data on (a) refined products trade 1998; (b) refining capacity; (c) product demand 1980-1999; (d) refinery crude runs and capacity; (e) refining and marketing, historical returns 1993-1999; (f) processing power index for Canada and USA; (g) ethylene capacity; (eye) Montreal petrochemical capacities; (j) Sarnia petrochemical capacities in 2000; (k) Alberta petrochemicals capacities 2001; (l) ethylene net equivalent trade; (m) ethylene costs 1999 for W. Canada and other countries. It was concluded that the hydrocarbon processing business continues to expand in Canada and natural gas processing is likely to increase. Petrochemicals may expand in W. Canada, possibly using feed stock from the Far North. Offshore developments may stimulate new processing on the E. Coast

  18. Hydrogenating gaseous hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Nicolardot, P L.F.

    1930-08-06

    Gaseous hydrocarbons obtained by the destructive distillation of carbonaceous materials are simultaneously desulfurized and hydrogenated by passing them at 350 to 500/sup 0/C, mixed with carbon monoxide and water vapor over lime mixed with metallic oxides present in sufficient amount to absorb the carbon dioxide as it is formed. Oxides of iron, copper, silver, cobalt, and metals of the rare earths may be used and are mixed with the lime to form a filling material of small pieces filling the reaction vessel which may have walls metallized with copper and zinc dust. The products are condensed and fixed with absorbents, e.g. oils, activated carbon, silica gels. The metallic masses may be regenerated by a hot air stream and by heating in inert gases.

  19. Treating hydrocarbon oils

    Energy Technology Data Exchange (ETDEWEB)

    Scott, R; MacIvor, W

    1869-09-01

    The treatment of hydrocarbon oils, such as coal or shale oils, paraffin oils, and petroleum, either in the crude or more or less refined state has the object of reducing the specific gravity and otherwise improving the qualities of such oils. The oil to be treated is put into any ordinary still and distilled. The vapor escaping during the distillation is passed through one or more heating vessels or chambers and exposed to the heat necessary to produce the change. The heating vessels or chambers may be made of metal, clay, or any other material adapted to endure heat, and they may be made of any desired form, or they may be constituted of a coil of metal pipes or a series of tubes such as are used for heating air for blast furnaces.

  20. Characterization of a nose-only inhalation exposure system for hydrocarbon mixtures and jet fuels.

    Science.gov (United States)

    Martin, Sheppard A; Tremblay, Raphael T; Brunson, Kristyn F; Kendrick, Christine; Fisher, Jeffrey W

    2010-04-01

    A directed-flow nose-only inhalation exposure system was constructed to support development of physiologically based pharmacokinetic (PBPK) models for complex hydrocarbon mixtures, such as jet fuels. Due to the complex nature of the aerosol and vapor-phase hydrocarbon exposures, care was taken to investigate the chamber hydrocarbon stability, vapor and aerosol droplet compositions, and droplet size distribution. Two-generation systems for aerosolizing fuel and hydrocarbons were compared and characterized for use with either jet fuels or a simple mixture of eight hydrocarbons. Total hydrocarbon concentration was monitored via online gas chromatography (GC). Aerosol/vapor (A/V) ratios, and total and individual hydrocarbon concentrations, were determined using adsorbent tubes analyzed by thermal desorption-gas chromatography-mass spectrometry (TDS-GC-MS). Droplet size distribution was assessed via seven-stage cascade impactor. Droplet mass median aerodynamic diameter (MMAD) was between 1 and 3 mum, depending on the generator and mixture utilized. A/V hydrocarbon concentrations ranged from approximately 200 to 1300 mg/m(3), with between 20% and 80% aerosol content, depending on the mixture. The aerosolized hydrocarbon mixtures remained stable during the 4-h exposure periods, with coefficients of variation (CV) of less than 10% for the total hydrocarbon concentrations. There was greater variability in the measurement of individual hydrocarbons in the A-V phase. In conclusion, modern analytical chemistry instruments allow for improved descriptions of inhalation exposures of rodents to aerosolized fuel.

  1. Bioremediation of soils containing petroleum hydrocarbons, chlorinated phenols, and polycyclic aromatic hydrocarbons

    International Nuclear Information System (INIS)

    Seech, A.; Burwell, S.; Marvan, I.

    1994-01-01

    Bench-scale treatability investigations, pilot-scale and full-scale bioremediation projects were conducted to evaluate Daramend trademark bioremediation of soils containing petroleum hydrocarbons, heavy oils, paraffins, chlorinated phenols and polycyclic aromatic hydrocarbons (PAHs). Bench-scale investigations were conducted using glass microcosms. Pilot-scale and full-scale demonstrations were conducted at industrial sites and included treatment of excavated soils and sediments in on-site cells constructed using synthetic liners and covered by steel/polyethylene structures as well as in-situ treatment. A total of approximately 5,000 tons of soil was treated. The soil treatment included organic soil amendments, specialized tillage/aeration apparatus, and strict control of soil moisture. The amendments are composed of naturally-occurring organic materials prepared to soil-specific particle size distributions, nutrient profiles, and nutrient-release kinetics. Bench-scale work indicated that in refinery soil containing high concentrations of heavy oils, extractable hydrocarbon concentrations could be rapidly reduced to industrial clean-up criteria, and that the hydrocarbons were fully mineralized with release of CO 2

  2. HYDROCARBON-DEGRADING BACTERIA AND SURFACTANT ACTIVITY

    Energy Technology Data Exchange (ETDEWEB)

    Brigmon, R; Topher Berry, T; Grazyna A. Plaza, G; jacek Wypych, j

    2006-08-15

    Fate of benzene ethylbenzene toluene xylenes (BTEX) compounds through biodegradation was investigated using two different bacteria, Ralstonia picketti (BP-20) and Alcaligenes piechaudii (CZOR L-1B). These bacteria were isolated from extremely polluted petroleum hydrocarbon contaminated soils. PCR and Fatty Acid Methyl Ester (FAME) were used to identify the isolates. Biodegradation was measured using each organism individually and in combination. Both bacteria were shown to degrade each of the BTEX compounds. Alcaligenes piechaudii biodegraded BTEXs more efficiently while mixed with BP-20 and individually. Biosurfactant production was observed by culture techniques. In addition 3-hydroxy fatty acids, important in biosurfactant production, was observed by FAME analysis. In the all experiments toluene and m+p- xylenes were better growth substrates for both bacteria than the other BTEX compounds. In addition, the test results indicate that the bacteria could contribute to bioremediation of aromatic hydrocarbons (BTEX) pollution increase biodegradation through the action by biosurfactants.

  3. 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

  4. High Pressure Preignition Chemistry of Hydrocarbons and Hydrocarbon Mixtures

    National Research Council Canada - National Science Library

    Cernansky, N.P

    1998-01-01

    .... The research program entailed mechanistic studies examining the oxidation chemistry of single-component hydrocarbons and ignition studies examining the overall ignition of pure single component fuels and fuel blends...

  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, I. V.; Wojciechowski, A.; AlZayed, N.

    2016-01-01

    Roč. 4, č. 3 (2016), s. 468-478 ISSN 2050-7526 R&D Projects: GA ČR(CZ) GA13-01061S Institutional support: RVO:61389013 Keywords : push-pull chromophore * intercalation * layered phosphates Subject RIV: CA - Inorganic Chemistry Impact factor: 5.256, year: 2016

  6. 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

  7. Growth of hydrocarbon utilizing microorganisms

    Digital Repository Service at National Institute of Oceanography (India)

    Bhosle, N.B.; Mavinkurve, S.

    Two isolates from marine mud having broad spectrum hydrocarbon utilizing profile were identified as Arthrobacter simplex and Candida tropicalis.Both the organisms grew exponentially on crude oil. The cell yield of the organisms was influenced...

  8. Process for treating hydrocarbons, etc

    Energy Technology Data Exchange (ETDEWEB)

    1933-09-15

    A process is described for treating simultaneously bituminous substances and hydrocarbon oils for the production of low-boiling hydrocarbons and volatilization of the bituminous substances, characterized by the fact that it consists of heating a current of charge constituted by a mixture of the bituminous substances and hydrocarbon oils, to a high temperature, passing the heated current into a zone of extended reaction where the vapors are separated from the liquid or solid residue to favor transformation of the liquid hydrocarbons and volatilization of the bituminous substances, owing to the utilization of a heating agent carried to a high temperature being brought in contact with the heated charge in order to communicate its heat to the charge, while this later presents itself as relatively fine pellet or in the condition of distinct particles, particularly separated from one another.

  9. Predicting hydrocarbon release from soil

    International Nuclear Information System (INIS)

    Poppendieck, D.; Loehr, R.C.

    2002-01-01

    'Full text:' The remediation of hazardous chemicals from soils can be a lengthy and costly process. As a result, recent regulatory initiatives have focused on risk-based corrective action (RBCA) approaches. Such approaches attempt to identify the amount of chemical that can be left at a site with contaminated soil and still be protective of human health and the environment. For hydrocarbons in soils to pose risk to human heath and the environment, the hydrocarbons must be released from the soil and accessible to microorganisms, earthworms, or other higher level organisms. The sorption of hydrocarbons to soil can reduce the availability of the hydrocarbon to receptors. Typically in soils and sediments, there is an initial fast release of a hydrocarbon from the soil to the aqueous phase followed by a slower release of the remaining hydrocarbon to the aqueous phase. The rate and extent of slow release can influence aqueous hydrocarbon concentrations and the fate and transport of hydrocarbons in the subsurface. Once the fast fraction of the chemical has been removed from the soil, the remaining fraction of a chemical may desorb at a rate that natural mechanisms can attenuate the released hydrocarbon. Hence, active remediation may be needed only until the fast fraction has been removed. However, the fast fraction is a soil and chemical specific parameter. This presentation will present a tier I type protocol that has been developed to quickly estimate the fraction of hydrocarbons that are readily released from the soil matrix to the aqueous phase. Previous research in our laboratory and elsewhere has used long-term desorption (four months) studies to determine the readily released fraction. This research shows that a single short-term (less than two weeks) batch extraction procedure provides a good estimate of the fast released fraction derived from long-term experiments. This procedure can be used as a tool to rapidly evaluate the release and bioavailability of

  10. Hydrocarbon removal with constructed wetlands

    OpenAIRE

    Eke, Paul Emeka

    2008-01-01

    Wetlands have long played a significant role as natural purification systems, and have been effectively used to treat domestic, agricultural and industrial wastewater. However, very little is known about the biochemical processes involved, and the use of constructed treatment wetlands in the removal of petroleum aromatic hydrocarbons from produced and/or processed water. Wastewaters from the oil industry contain aromatic hydrocarbons such as benzene, toluene, ethylbenzene and x...

  11. Bioassay of polycyclic aromatic hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Van Kirk, E.A.

    1980-08-01

    A positive relationship was found between the photodynamic activity of 24 polycyclic aromatic hydrocarbons versus published results on the mutagenicity, carcinogenicity, and initiation of unscheduled DNA synthesis. Metabolic activation of benzo(a)pyrene resulted in detection of increased mutagenesis in Paramecium tetraurelia as found also in the Ames Salmonella assay. The utility of P. tetraurelia as a biological detector of hazardous polycyclic aromatic hydrocarbons is discussed.

  12. Catalytic pyrolysis of hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Vail' eva, N A; Buyanov, R A

    1979-01-01

    Catalytic pyrolysis of petroleum fractions (undecane) was performed with the object of clarifying such questions as the mechanism of action of the catalyst, the concepts of activity and selectivity of the catalyst, the role of transport processes, the temperature ranges and limitations of the catalytic process, the effect of the catalyst on secondary processes, and others. Catalysts such as quartz, MgO, Al/sub 2/O/sub 3/, were used. Analysis of the experimental findings and the fact that the distribution of products is independent of the nature of the surface, demonstrate that the pyrolysis of hydrocarbons in the presence of catalysts is based on the heterogeneous-homogeneous radical-chain mechanism of action, and that the role of the catalysts reduces to increasing the concentration of free radicals. The concept of selectivity cannot be applied to catalysts here, since they do not affect the mechanism of the unfolding of the process of pyrolysis and their role consists solely in initiating the process. In catalytic pyrolysis the concepts of kinetic and diffusive domains of unfolding of the catalytic reaction do not apply, and only the outer surface of the catalyst is engaged, whereas the inner surface merely promotes deletorious secondary processes reducing the selectivity of the process and the activity of the catalyst. 6 references, 2 figures.

  13. HYDROCARBONS RESERVES IN VENEZUELA

    Energy Technology Data Exchange (ETDEWEB)

    Gonzalez Cruz, D.J.

    2007-07-01

    Venezuela is an important player in the energy world, because of its hydrocarbons reserves. The process for calculating oil and associated gas reserves is described bearing in mind that 90% of the gas reserves of Venezuela are associated to oil. Likewise, an analysis is made of the oil reserves figures from 1975 to 2003. Reference is also made to inconsistencies found by international experts and the explanations offered in this respect by the Ministry of Energy and Petroleum (MENPET) and Petroleos de Venezuela (PDVSA) regarding the changes that took place in the 1980s. In turn, Hubbert's Law is explained to determine peak production of conventional oil that a reservoir or field will reach, as well as its relationship with remaining reserves. Emphasis is placed on the interest of the United Nations on this topic. The reserves of associated gas are presented along with their relationship with the different crude oils that are produced and with injected gas, as well as with respect to the possible changes that would take place in the latter if oil reserves are revised. Some recommendations are submitted so that the MENPET starts preparing the pertinent policies ruling reserves. (auth)

  14. Evaluation of hydrocarbon potential

    International Nuclear Information System (INIS)

    Cashman, P.H.; Trexler, J.H. Jr.

    1992-01-01

    Task 8 is responsible for assessing the hydrocarbon potential of the Yucca Mountain vincinity. Our main focus is source rock stratigraphy in the NTS area in southern Nevada. (In addition, Trexler continues to work on a parallel study of source rock stratigraphy in the oil-producing region of east central Nevada, but this work is not funded by Task 8.) As a supplement to the stratigraphic studies, we are studying the geometry and kinematics of deformation at NTS, particularly as these pertain to reconstructing Paleozoic stratigraphy and to predicting the nature of the Late Paleozoic rocks under Yucca Mountain. Our stratigraphic studies continue to support the interpretation that rocks mapped as the open-quotes Eleana Formationclose quotes are in fact parts of two different Mississippian units. We have made significant progress in determining the basin histories of both units. These place important constraints on regional paleogeographic and tectonic reconstructions. In addition to continued work on the Eleana, we plan to look at the overlying Tippipah Limestone. Preliminary TOC and maturation data indicate that this may be another potential source rock

  15. Synthesis and Properties of Novel Polyurethane Containing Nitrophenylazocatecholic Group as NLO Chromophore

    International Nuclear Information System (INIS)

    Song, Mi Young; Kim, Mi Sung; Lee, Ju Yeon

    2012-01-01

    The promise of NLO polymers lies in their higher nonlinear optical activity, faster response time, and easy fabrication into electro-optic devices. In the developments of NLO polymers for electrooptic device applications, stabilization of electrically induced dipole alignment is one of important considerations; in this context, two approaches to minimize the randomization have been proposed, namely the use of cross-linked systems and the utilization of polymers with high glass transition temperature (T g ) such as polyimides. A polyurethane matrix forms extensive hydrogen bonding between urethane linkages, with increased rigidity preventing the relaxation of induced dipoles. Polyurethanes functionalized with hemicyanine and thiophene ring in side chain show an enhanced thermal stability of aligned dipoles. Polyurethanes with NLO chromophores, whose dipole moments are aligned transverse to the main chains, show large second-order nonlinearity with good thermal stability

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

    Science.gov (United States)

    2014-02-01

    used hyper- Raman and hyper-Rayleigh scattering to show that in some nominally centrosymmetric metal- free chromophores the inversion symmetry could be...67 618 320 1300 654 1300 NH2 742 18 53 590 30 160 782 93 51 602 160 650 644 420 OCH3 722 16 16 560 57 120 774 57 66 604 190 660 646 300 t-butyl 714...420 644 220 F 706 5.9 1.6 560 85 85 772 53 89 600 60 340 644 170 CF3 714 6.4 22 586 31 110 792 120 210 602 87 440 650 250 CN 732 29 28 590 32 120 814

  17. Synthesis of Dendrimer Containing Dialkylated-fluorene Unit as a Core Chromophore via Click Chemistry

    International Nuclear Information System (INIS)

    Han, Seung Choul; Lee, Jae Wook; Jin, Sung Ho

    2012-01-01

    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

  18. Tracing global biogeochemical cycles and meridional overturning circulation using chromophoric dissolved organic matter

    Science.gov (United States)

    Nelson, Norman B.; Siegel, David A.; Carlson, Craig A.; Swan, Chantal M.

    2010-02-01

    Basin-scale distributions of light absorption by chromophoric dissolved organic matter (CDOM) are positively correlated (R2 > 0.8) with apparent oxygen utilization (AOU) within the top kilometer of the Pacific and Indian Oceans. However, a much weaker correspondence is found for the Atlantic (R2 organic matter from sinking particles. The observed meridional-depth sections of CDOM result from a balance between biogeochemical processes (autochthonous production and solar bleaching) and the meridional overturning circulation. Rapid mixing in the Atlantic dilutes CDOM in the interior and implies that the time scale for CDOM accumulation is greater than ˜50 years. CDOM emerges as a unique tracer for diagnosing changes in biogeochemistry and the overturning circulation, similar to dissolved oxygen, with the additional feature that it can be quantified from satellite observation.

  19. Picosecond absorption studies of photoinduced charge separation in polyelectrolyte bound aromatic chromophores

    Science.gov (United States)

    Shand, M. A.; Rodgers, M. A. J.; Webber, S. E.

    1991-02-01

    Picosecond absorption studies of photoinduced electron transfer between aromatic chromophores bound to polymethacrylic acid (P) and methylviologen (MV 2+ have been carried out in aqueous solution. The diphenylanthracene copolymer/viologen system at pH 2.8 shows the corresponding redox products DPA + rad and MV + rad arising from the singlet state of DPA with a forward rate constant of electron transfer of 2.6 × 10 9 s -1. At pH 9.0 the quenching of the S 1 state of DPA occurs with no charge separated products being observed. The pyrene copolymer shows no evidence of charge separated products at any pH in the range 2.8-9.0. It is proposed that the differences in the radical pair kinetics arise from differences in the degree of binding of the ground state complexes formed by the donor and acceptor species.

  20. Depth profiling of laser-heated chromophores in biological tissues by pulsed photothermal radiometry

    International Nuclear Information System (INIS)

    Milner, T.E.; Goodman, D.M.; Tanenbaum, B.S.; Nelson, J.S.

    1995-01-01

    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

  1. Molecular Polygons Probe the Role of Intramolecular Strain in the Photophysics of π-Conjugated Chromophores.

    Science.gov (United States)

    Wilhelm, Philipp; Vogelsang, Jan; Poluektov, Georgiy; Schönfelder, Nina; Keller, Tristan J; Jester, Stefan-Sven; Höger, Sigurd; Lupton, John M

    2017-01-24

    π-Conjugated segments, chromophores, are the electronically active units of polymer materials used in organic electronics. To elucidate the effect of the bending of these linear moieties on elementary electronic properties, such as luminescence color and radiative rate, we introduce a series of molecular polygons. The π-system in these molecules becomes so distorted in bichromophores (digons) that these absorb and emit light of arbitrary polarization: any part of the chain absorbs and emits radiation with equal probability. Bending leads to a cancellation of transition dipole moment (TDM), increasing excited-state lifetime. Simultaneously, fluorescence shifts to the red as radiative transitions require mixing of the excited state with vibrational modes. However, strain can become so large that excited-state localization on shorter units of the chain occurs, compensating TDM cancellation. The underlying correlations between shape and photophysics can only be resolved in single molecules. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Dimeric fluorescent energy transfer dyes comprising asymmetric cyanine azole-indolenine chromophores

    Science.gov (United States)

    Glazer, Alexander N.; Benson, Scott C.

    1998-01-01

    Novel fluorescent heterodimeric DNA-staining energy transfer dyes are provided combining asymmetric cyanine azole-indolenine dyes, which provide for strong DNA affinity, large Stokes shifts and emission in the red region of the spectrum. The dyes find particular application in gel electrophoresis and for labels which may be bound to a variety of compositions in a variety of contexts. Kits and individual compounds are provided, where the kits find use for simultaneous detection of a variety of moieties, particularly using a single narrow wavelength irradiation source. The individual compounds are characterized by high donor quenching and high affinity to dsDNA as a result of optimizing the length of the linking group separating the two chromophores.

  3. Adsorption of hydrocarbons in chalk reservoirs

    Energy Technology Data Exchange (ETDEWEB)

    Madsen, L.

    1996-12-31

    The present work is a study on the wettability of hydrocarbon bearing chalk reservoirs. Wettability is a major factor that influences flow, location and distribution of oil and water in the reservoir. The wettability of the hydrocarbon reservoirs depends on how and to what extent the organic compounds are adsorbed onto the surfaces of calcite, quartz and clay. Organic compounds such as carboxylic acids are found in formation waters from various hydrocarbon reservoirs and in crude oils. In the present investigation the wetting behaviour of chalk is studied by the adsorption of the carboxylic acids onto synthetic calcite, kaolinite, quartz, {alpha}-alumina, and chalk dispersed in an aqueous phase and an organic phase. In the aqueous phase the results clearly demonstrate the differences between the adsorption behaviour of benzoic acid and hexanoic acid onto the surfaces of oxide minerals and carbonates. With NaCl concentration of 0.1 M and with pH {approx_equal} 6 the maximum adsorption of benzoic acid decreases in the order: quartz, {alpha}-alumina, kaolinite. For synthetic calcite and chalk no detectable adsorption was obtaind. In the organic phase the order is reversed. The maximum adsorption of benzoic acid onto the different surfaces decreases in the order: synthetic calcite, chalk, kaolinite and quartz. Also a marked difference in adsorption behaviour between probes with different functional groups onto synthetic calcite from organic phase is observed. The maximum adsorption decreases in the order: benzoic acid, benzyl alcohol and benzylamine. (au) 54 refs.

  4. Spatio-seasonal variability of chromophoric dissolved organic matter absorption and responses to photobleaching in a large shallow temperate lake

    Science.gov (United States)

    Encina Aulló-Maestro, María; Hunter, Peter; Spyrakos, Evangelos; Mercatoris, Pierre; Kovács, Attila; Horváth, Hajnalka; Preston, Tom; Présing, Mátyás; Torres Palenzuela, Jesús; Tyler, Andrew

    2017-03-01

    The development and validation of remote-sensing-based approaches for the retrieval of chromophoric dissolved organic matter (CDOM) concentrations requires a comprehensive understanding of the sources and magnitude of variability in the optical properties of dissolved material within lakes. In this study, spatial and seasonal variability in concentration and composition of CDOM and the origin of its variation was studied in Lake Balaton (Hungary), a large temperate shallow lake in central Europe. In addition, we investigated the effect of photobleaching on the optical properties of CDOM through in-lake incubation experiments. There was marked variability throughout the year in CDOM absorption in Lake Balaton (aCDOM(440) = 0. 06-9.01 m-1). The highest values were consistently observed at the mouth of the main inflow (Zala River), which drains humic-rich material from the adjoining Kis-Balaton wetland, but CDOM absorption decreased rapidly towards the east where it was consistently lower and less variable than in the westernmost lake basins. The spectral slope parameter for the interval of 350-500 nm (SCDOM(350-500)) was more variable with increasing distance from the inflow (observed range 0.0161-0.0181 nm-1 for the mouth of the main inflow and 0.0158-0.0300 nm-1 for waters closer to the outflow). However, spatial variation in SCDOM was more constant exhibiting a negative correlation with aCDOM(440). Dissolved organic carbon (DOC) was strongly positively correlated with aCDOM(440) and followed a similar seasonal trend but it demonstrated more variability than either aCDOM or SCDOM with distance through the system. Photobleaching resulting from a 7-day exposure to natural solar UV radiation resulted in a marked decrease in allochthonous CDOM absorption (7.04 to 3.36 m-1, 42 % decrease). Photodegradation also resulted in an increase in the spectral slope coefficient of dissolved material.

  5. Characterization of light absorption by chromophoric dissolved organic matter (CDOM) in the upper layer of the Red Sea

    Science.gov (United States)

    Kheireddine, Malika; Ouhssain, Mustapha; Calleja, Maria Ll.; Morán, Xosé Anxelu G.; Sarma, Y. V. B.; Tiwari, Surya P.; Jones, Burton H.

    2018-03-01

    The absorption coefficient of chromophoric dissolved organic matter (CDOM) is a major variable used in developing robust bio-optical models and understanding biogeochemical processes. Over the last decade, the optical properties of CDOM in the open sea have been intensely studied. However, their variations in clear water are poorly documented, particularly in the Red Sea, owing to the absence of in situ measurements. We performed several cruises in the Red Sea to investigate the spatial distribution of the absorption coefficient of CDOM. The spectral absorption coefficients were determined from 400 nm to 740 nm using a WETLabs ac-s hyper-spectral spectrophotometer. In general, we found a latitudinal gradient in the CDOM absorption coefficient at 443 nm (aCDOM(443)) from south to north that is likely influenced by the exchange of water through the strait of Bab-el-Mandeb and the thermohaline circulation of the Red Sea. However, high aCDOM(443) values were observed in the northern Red Sea due to the existence of a sub-mesoscale feature that may induce an increase in phytoplankton production and lead to CDOM production. The aCDOM(443) covaried with the chlorophyll a concentration ([Chl a],) despite a high scatter. Furthermore, the aCDOM(443) for a given [Chl a] concentration was higher than those predicted by global ocean bio-optical models. This study advances our understanding of CDOM concentration in the Red Sea and may help improve the accuracy of the algorithms used to obtain CDOM absorption from ocean color.

  6. Variations in Spectral Absorption Properties of Phytoplankton, Non-algal Particles and Chromophoric Dissolved Organic Matter in Lake Qiandaohu

    Directory of Open Access Journals (Sweden)

    Liangliang Shi

    2017-05-01

    Full Text Available Light absorption by phytoplankton, non-algal particles (NAP and chromophoric dissolved organic matter (CDOM was investigated at 90 sites of a clear, deep artificial lake (Lake Qiandaohu to study natural variability of absorption coefficients. Our study shows that CDOM absorption is a major contributor to the total absorption signal in Lake Qiandaohu during all seasons, except autumn when it has an equivalent contribution as total particle absorption. The exponential slope of CDOM absorption varies within a narrow range around a mean value of 0.0164 nm−1 ( s d = 0.00176 nm−1. Our study finds some evidence for thIS autochthonous production of CDOM in winter and spring. Absorption by phytoplankton, and therefore its contribution to total absorption, is generally greatest in spring, suggesting that phytoplankton growth in Lake Qiandaohu occurs predominantly in the spring. Phytoplankton absorption in freshwater lakes generally has a direct relationship with chlorophyll-a concentration, similar to the one established for open ocean waters. The NAP absorption, whose relative contribution to total absorption is highest in summer, has a spectral shape that can be well fitted by an exponential function with an average slope of 0.0065 nm−1 ( s d = 0.00076 nm−1. There is significant spatial variability present in the summer of Lake Qiandaohu, especially in the northwestern and southwestern extremes where the optical properties of the water column are strongly affected by the presence of allochthonous matter. Variations in the properties of the particle absorption spectra with depths provides evidence that the water column was vertically inhomogeneous and can be monitored with an optical measurement program. Moreover, the optical inhomogeneity in winter is less obvious. Our study will support the parameterization of the Bio-optical model for Lake Qiandaohu from in situ or remotely sensing aquatic color signals.

  7. Characterizing spatiotemporal variations of chromophoric dissolved organic matter in headwater catchment of a key drinking water source in China.

    Science.gov (United States)

    Chen, Yihan; Yu, Kaifeng; Zhou, Yongqiang; Ren, Longfei; Kirumba, George; Zhang, Bo; He, Yiliang

    2017-12-01

    Natural surface drinking water sources with the increasing chromophoric dissolved organic matter (CDOM) have profound influences on the aquatic environment and drinking water safety. Here, this study investigated the spatiotemporal variations of CDOM in Fengshuba Reservoir and its catchments in China. Twenty-four surface water samples, 45 water samples (including surface water, middle water, and bottom water), and 15 pore water samples were collected from rivers, reservoir, and sediment of the reservoir, respectively. Then, three fluorescent components, namely two humic-like components (C1 and C2) and a tryptophan-like component (C3), were identified from the excitation-emission matrix coupled with parallel factor analysis (EEM-PARAFAC) for all samples. For spatial distributions, the levels of CDOM and two humic-like components in the reservoir were significantly lower than those in the upstream rivers (p CDOM and humic-like matters from the surrounding catchment. For temporal variations, the mean levels of CDOM and three fluorescent components did not significantly change in rivers, suggesting that perennial anthropic activity maybe an important factor impacting the concentration and composition of river CDOM but not the precipitation and runoff. However, these mean values of CDOM for the bulk waters of the reservoir changed markedly along with seasonal variations, indicating that the hydrological processes in the reservoir could control the quality and quantity of CDOM. The different correlations between the fluorescent components and primary water parameters in the river, reservoir, and pore water samples further suggest that the reservoir is an important factor regulating the migration and transformation of FDOM along with the variations of different environmental gradients.

  8. Characterization of light absorption by chromophoric dissolved organic matter (CDOM) in the upper layer of the Red Sea

    KAUST Repository

    Kheireddine, Malika

    2018-02-07

    The absorption coefficient of chromophoric dissolved organic matter (CDOM) is a major variable used in developing robust bio‐optical models and understanding biogeochemical processes. Over the last decade, the optical properties of CDOM in the open sea have been intensely studied. However, their variations in clear water are poorly documented, particularly in the Red Sea, owing to the absence of in situ measurements. We performed several cruises in the Red Sea to investigate the spatial distribution of the absorption coefficient of CDOM. The spectral absorption coefficients were determined from 400nm to 740nm using a WETLabs ac-s hyper-spectral spectrophotometer. In general, we found a latitudinal gradient in the CDOM absorption coefficient at 443nm (aCDOM(443)) from south to north that is likely influenced by the exchange of water through the strait of Bab-el-Mandeb and the thermohaline circulation of the Red Sea. However, high aCDOM(443) values were observed in the northern Red Sea due to the existence of a sub-mesoscale feature that may induce an increase in phytoplankton production and lead to CDOM production. The aCDOM(443) covaried with the chlorophyll a concentration ([Chl a],) despite a high scatter. Furthermore, the aCDOM(443) for a given [Chl a] concentration was higher than those predicted by global ocean bio-optical models. This study advances our understanding of CDOM concentration in the Red Sea and may help improve the accuracy of the algorithms used to obtain CDOM absorption from ocean color.

  9. Band-engineering of TiO2 as a wide-band gap semiconductor using organic chromophore dyes

    Science.gov (United States)

    Wahyuningsih, S.; Kartini, I.; Ramelan, A. H.; Saputri, L. N. M. Z.; Munawaroh, H.

    2017-07-01

    Bond-engineering as applied to semiconductor materials refers to the manipulation of the energy bands in order to control charge transfer processes in a device. When the device in question is a photoelectrochemical cell, the charges affected by drift become the focus of the study. The ideal band gap of semiconductors for enhancement of photocatalyst activity can be lowered to match with visible light absorption and the location of conduction Band (CB) should be raised to meet the reducing capacity. Otherwise, by the addition of the chromofor organic dyes, the wide-band gab can be influences by interacation resulting between TiO2 surface and the dyes. We have done the impruvisation wide-band gap of TiO2 by the addition of organic chromophore dye, and the addition of transition metal dopand. The TiO2 morphology influence the light absorption as well as the surface modification. The organic chromophore dye was syntesized by formation complexes compound of Co(PAR)(SiPA)(PAR)= 4-(2-piridylazoresorcinol), SiPA = Silyl propil amine). The result showed that the chromophore groups adsorbed onto TiO2 surface can increase the visible light absorption of wide-band gab semiconductor. Initial absorption of a chromophore will affect light penetration into the material surfaces. The use of photonic material as a solar cell shows this phenomenon clearly from the IPCE (incident photon to current conversion efficiency) measurement data. Organic chromophore dyes of Co(PAR)(SiPA) exhibited the long wavelength absorption character compared to the N719 dye (from Dyesol).

  10. Acquired and innate immunity to polyaromatic hydrocarbons

    International Nuclear Information System (INIS)

    Yusuf, Nabiha; Timares, Laura; Seibert, Megan D.; Xu Hui; Elmets, Craig A.

    2007-01-01

    Polyaromatic hydrocarbons are ubiquitous environmental pollutants that are potent mutagens and carcinogens. Researchers have taken advantage of these properties to investigate the mechanisms by which chemicals cause cancer of the skin and other organs. When applied to the skin of mice, several carcinogenic polyaromatic hydrocarbons have also been shown to interact with the immune system, stimulating immune responses and resulting in the development of antigen-specific T-cell-mediated immunity. Development of cell-mediated immunity is strain-specific and is governed by Ah receptor genes and by genes located within the major histocompatibility complex. CD8 + T cells are effector cells in the response, whereas CD4 + T cells down-regulate immunity. Development of an immune response appears to have a protective effect since strains of mice that develop a cell-mediated immune response to carcinogenic polyaromatic hydrocarbons are less likely to develop tumors when subjected to a polyaromatic hydrocarbon skin carcinogenesis protocol than mice that fail to develop an immune response. With respect to innate immunity, TLR4-deficient C3H/HeJ mice are more susceptible to polyaromatic hydrogen skin tumorigenesis than C3H/HeN mice in which TLR4 is normal. These findings support the hypothesis that immune responses, through their interactions with chemical carcinogens, play an active role in the prevention of chemical skin carcinogenesis during the earliest stages. Efforts to augment immune responses to the chemicals that cause tumors may be a productive approach to the prevention of tumors caused by these agents

  11. Solo Mycoremediation Impacted by Waste Hydrocarbons

    Directory of Open Access Journals (Sweden)

    Franklin Santos Freire

    2015-06-01

    Full Text Available Oil and its derivatives are the principal means of energy generation for vehicles that transport raw materials and goods produced in developed and developing regions accentuating the risk of accidents by spills in stockpiling, transport, use or discarding. The contamination by total hydrocarbons suggests the elevated propension to mutations and to the formation of carcinogenic tumors, as a consequence of the exposure to human contamination by these products. This work had as aims: a To investigate, in a laboratorial scale, the degrading capacity of autochthonous microbiota in the presence of differing concentrations of hydrocarbons (0%, 2,5%, 5% e 7,5%; b To isolate fungi tolerant to the contaminant; c To quantify and analyze the biodegradation capacity of soil through the microbial biomass and metabolic quotient; and d To set, in laboratory, ideal conditions of biodegradation of the xenobiotic compound. Some parameters of microbial activity have been evaluated, such as: biological (Carbon of microbial biomass, CO2 , qCO2 emission, and fungi growth, chemical (pH, electrical conductivity –EC –, analysis of fertility and total hydrocarbons and physical (physical composition of the soil for analysis and comparisons. The obtained results suggest that the adding of 5% of waste oil in the ground provided ideal condition for the biodegradation of he   contaminant in the environment. From the evaluated parameters, the emission of CO2 and microbial C were considered more indicative of changes in soil microbial activity subject to the addition of hydrocarbons, confirming the possibility of microremediation use.

  12. Chromophore dynamics in the PYP photocycle from femtosecond stimulated Raman spectroscopy.

    Science.gov (United States)

    Creelman, Mark; Kumauchi, Masato; Hoff, Wouter D; Mathies, Richard A

    2014-01-23

    Femtosecond stimulated Raman spectroscopy (FSRS) is used to examine the structural dynamics of the para-hydroxycinnamic acid (HCA) chromophore during the first 300 ps of the photoactive yellow protein (PYP) photocycle, as the system transitions from its vertically excited state to the early ground state cis intermediate, I0. A downshift in both the C7═C8 and C1═O stretches upon photoexcitation reveals that the chromophore has shifted to an increasingly quinonic form in the excited state, indicating a charge shift from the phenolate moiety toward the C9═O carbonyl, which continues to increase for 170 fs. In addition, there is a downshift in the C9═O carbonyl out-of-plane vibration on an 800 fs time scale as PYP transitions from its excited state to I0, indicating that weakening of the hydrogen bond with Cys69 and out-of-plane rotation of the C9═O carbonyl are key steps leading to photoproduct formation. HOOP intensity increases on a 3 ps time scale during the formation of I0, signifying distortion about the C7═C8 bond. Once on the I0 surface, the C7═C8 and C1═O stretches blue shift, indicating recovery of charge to the phenolate, while persistent intensity in the HOOP and carbonyl out-of-plane modes reveal HCA to be a cissoid structure with significant distortion about the C7═C8 bond and of C9═O out of the molecular plane.

  13. [Photodegradation of chromophoric dissolved organic matter from Jiulong River Estuary under natural solar radiation].

    Science.gov (United States)

    Guo, Wei-dong; Cheng, Yuan-yue

    2008-06-01

    Low salinity water sample collected from Jiulong River Estuary filtered using 0.2 microm Millipore filter was exposed to natural solar radiation from 10:00 to 16:00 each day during one week period in early and late May, 2005. Photodegradation of fluorescence and absorption properties of CDOM (chromophoric dissolved organic matter) was observed. The results showed that humic-like fluorescence (lambda Ex/lambda Em = 350/450 nm), tryptophan-like fluorescence (lambda Ex/lambda Em = 225/350 nm) and absorption coefficient of CDOM can be significantly photodegraded during short-term solar exposure in early summer. These photodegradation processes followed the first-order dynamic equation. The degradation half time of humic-like fluorescence, tryptophan-like fluorescence and a (280) were calculated as 3.5-5.1 d, 3.0-4.5 d and 6.3 d. The absorption loss spectra of CDOM indicated that the solar UV radiation was responsible for the photochemical degradation of CDOM. The loss of humic-like fluorescence (70%) was obviously higher than loss of a (280) (about 40%), suggesting that photobleaching ability of CDOM fluorophores were much stronger than CDOM chromophores. However, the correlation relationship between humic-like fluorescence and absorption coefficient are still kept. A250/A350 of CDOM increased till the end of radiation experiment compared with the control group, suggesting photodegradation may decrease the average molecular size of CDOM. These findings show that terrestrial CDOM can be transformed and removed by photochemical decomposition after transport into the sea, and photodegradation might be an important sink for terrestrial CDOM.

  14. The Attribute for Hydrocarbon Prediction Based on Attenuation

    International Nuclear Information System (INIS)

    Hermana, Maman; Harith, Z Z T; Sum, C W; Ghosh, D P

    2014-01-01

    Hydrocarbon prediction is a crucial issue in the oil and gas industry. Currently, the prediction of pore fluid and lithology are based on amplitude interpretation which has the potential to produce pitfalls in certain conditions of reservoir. Motivated by this fact, this work is directed to find out other attributes that can be used to reduce the pitfalls in the amplitude interpretation. Some seismic attributes were examined and studies showed that the attenuation attribute is a better attribute for hydrocarbon prediction. Theoretically, the attenuation mechanism of wave propagation is associated with the movement of fluid in the pore; hence the existence of hydrocarbon in the pore will be represented by attenuation attribute directly. In this paper we evaluated the feasibility of the quality factor ratio of P-wave and S-wave (Qp/Qs) as hydrocarbon indicator using well data and also we developed a new attribute based on attenuation for hydrocarbon prediction -- Normalized Energy Reduction Stack (NERS). To achieve these goals, this work was divided into 3 main parts; estimating the Qp/Qs on well log data, testing the new attribute in the synthetic data and applying the new attribute on real data in Malay Basin data. The result show that the Qp/Qs is better than Poisson's ratio and Lamda over Mu as hydrocarbon indicator. The curve, trend analysis and contrast of Qp/Qs is more powerful at distinguishing pore fluid than Poisson ratio and Lamda over Mu. The NERS attribute was successful in distinguishing the hydrocarbon from brine on synthetic data. Applying this attribute on real data on Malay basin, the NERS attribute is qualitatively conformable with the structure and location where the gas is predicted. The quantitative interpretation of this attribute for hydrocarbon prediction needs to be investigated further

  15. 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

  16. Polycyclic Aromatic Hydrocarbons

    Science.gov (United States)

    Salama, Farid

    2010-01-01

    Carbonaceous materials play an important role in space. Polycyclic Aromatic Hydrocarbons (PAHs) are a ubiquitous component of the carbonaceous materials. PAHs are the best-known candidates to account for the IR emission bands. They are also thought to be among the carriers of the diffuse interstellar absorption bands (DIBs). PAH ionization states reflect the ionization balance of the medium while PAH size, composition, and structure reflect the energetic and chemical history of the medium. A major challenge is to reproduce in the laboratory the physical conditions that exist in the emission and absorption interstellar zones. The harsh physical conditions of the ISM -low temperature, collisionless, strong UV radiation fields- are simulated in the laboratory by associating a molecular beam with an ionizing discharge to generate a cold plasma expansion. PAH ions and radicals are formed from the neutral precursors in an isolated environment at low temperature and probed with high-sensitivity cavity ringdown spectroscopy in the NUV-NIR range. Carbon nanoparticles are also formed during the short residence time of the precursors in the plasma and are characterized with time-offlight mass spectrometry. These experiments provide unique information on the spectra of large carbonaceous molecules and ions in the gas phase that can now be directly compared to interstellar and circumstellar observations (IR emission bands, DIBs, extinction curve). These findings also hold great potential for understanding the formation process of interstellar carbonaceous grains. We will review recent progress in the experimental and theoretical studies of PAHs, compare the laboratory data with astronomical observations and discuss the global implications.

  17. New hyperbranched polytriazoles containing isolation chromophore moieties derived from AB4 monomers through click chemistry under copper(I) catalysis: improved optical transparency and enhanced NLO effects.

    Science.gov (United States)

    Wu, Wenbo; Ye, Cheng; Yu, Gui; Liu, Yunqi; Qin, Jingui; Li, Zhen

    2012-04-02

    By modifying a synthetic procedure, two new hyperbranched polytriazoles (HP1 and HP2) containing isolation chromophores were synthesized successfully through click chemistry reactions under copper(I) catalysis. For the first time, these two polymers were derived from an AB(4)-type monomer, although they contain different end-capping chromophores. They are soluble in normal polar organic solvents and are well characterized. Thanks to the presence of the isolation chromophore, the two polymers demonstrate good nonlinear optical (NLO) properties and optical transparency, making them promising candidates for practical applications. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Interpretative approaches to identifying sources of hydrocarbons in complex contaminated environments

    International Nuclear Information System (INIS)

    Sauer, T.C.; Brown, J.S.; Boehm, P.D.

    1993-01-01

    Recent advances in analytical instrumental hardware and software have permitted the use of more sophisticated approaches in identifying or fingerprinting sources of hydrocarbons in complex matrix environments. In natural resource damage assessments and contaminated site investigations of both terrestrial and aquatic environments, chemical fingerprinting has become an important interpretative tool. The alkyl homologues of the major polycyclic and heterocyclic aromatic hydrocarbons (e.g., phenanthrenes/anthracenes, dibenzothiophenes, chrysenes) have been found to the most valuable hydrocarbons in differentiating hydrocarbon sources, but there are other hydrocarbon analytes, such as the chemical biomarkers steranes and triterpanes, and alkyl homologues of benzene, and chemical methodologies, such as scanning UV fluorescence, that have been found to be useful in certain environments. This presentation will focus on recent data interpretative approaches for hydrocarbon source identification assessments. Selection of appropriate targets analytes and data quality requirements will be discussed and example cases including the Arabian Gulf War oil spill results will be presented

  19. Limitations of microbial hydrocarbon degradation at the Amon mud volcano (Nile deep-sea fan

    Directory of Open Access Journals (Sweden)

    J. Felden

    2013-05-01

    Full Text Available The Amon mud volcano (MV, located at 1250 m water depth on the Nile deep-sea fan, is known for its active emission of methane and non-methane hydrocarbons into the hydrosphere. Previous investigations showed a low efficiency of hydrocarbon-degrading anaerobic microbial communities inhabiting the Amon MV center in the presence of sulfate and hydrocarbons in the seeping subsurface fluids. By comparing spatial and temporal patterns of in situ biogeochemical fluxes, temperature gradients, pore water composition, and microbial activities over 3 yr, we investigated why the activity of anaerobic hydrocarbon degraders can be low despite high energy supplies. We found that the central dome of the Amon MV, as well as a lateral mud flow at its base, showed signs of recent exposure of hot subsurface muds lacking active hydrocarbon degrading communities. In these highly disturbed areas, anaerobic degradation of methane was less than 2% of the methane flux. Rather high oxygen consumption rates compared to low sulfide production suggest a faster development of more rapidly growing aerobic hydrocarbon degraders in highly disturbed areas. In contrast, the more stabilized muds surrounding the central gas and fluid conduits hosted active anaerobic hydrocarbon-degrading microbial communities. The low microbial activity in the hydrocarbon-vented areas of Amon MV is thus a consequence of kinetic limitations by heat and mud expulsion, whereas most of the outer MV area is limited by hydrocarbon transport.

  20. Syntrophic biodegradation of hydrocarbon contaminants.

    Science.gov (United States)

    Gieg, Lisa M; Fowler, S Jane; Berdugo-Clavijo, Carolina

    2014-06-01

    Anaerobic environments are crucial to global carbon cycling wherein the microbial metabolism of organic matter occurs under a variety of redox conditions. In many anaerobic ecosystems, syntrophy plays a key role wherein microbial species must cooperate, essentially as a single catalytic unit, to metabolize substrates in a mutually beneficial manner. Hydrocarbon-contaminated environments such as groundwater aquifers are typically anaerobic, and often methanogenic. Syntrophic processes are needed to biodegrade hydrocarbons to methane, and recent studies suggest that syntrophic hydrocarbon metabolism can also occur in the presence of electron acceptors. The elucidation of key features of syntrophic processes in defined co-cultures has benefited greatly from advances in 'omics' based tools. Such tools, along with approaches like stable isotope probing, are now being used to monitor carbon flow within an increasing number of hydrocarbon-degrading consortia to pinpoint the key microbial players involved in the degradative pathways. The metagenomic sequencing of hydrocarbon-utilizing consortia should help to further identify key syntrophic features and define microbial interactions in these complex communities. Copyright © 2013 Elsevier Ltd. All rights reserved.

  1. Production of light hydrocarbons, etc. [from heavy hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    1937-10-07

    A process is given for the production of light hydrocarbons of the gasoline type and, if desired, of the middle-oil type, from liquid or fusible heavy or medium heavy hydrocarbon materials. The process comprises subjecting the said initial materials in the first stage to catalytic hydrofining, separating the lower boiling constituents and the hydrogenating gas from the resulting products and then subjecting the higher boiling constituents in a second stage to a splitting destructive hydrogenation and then recycling substantially the entire reaction mixture obtained in the second stage to the frst stage.

  2. Hydrocarbon transport in the laboratory plasma (MAP)

    Energy Technology Data Exchange (ETDEWEB)

    Matsuyama, Seiji; Yamaguchi, Kenji; Yamawaki, Michio [Tokyo Univ., Tokai, Ibaraki (Japan). Nuclear Engineering Research Lab.; Tanaka, Satoru

    1996-10-01

    Hydrocarbons are admitted in the laboratory plasma in order to investigate the transport processes of carbon - containing molecules in relation to redeposition processes in the fusion boundary plasma. When CH{sub 4} was introduced into the plasma, CH radical band spectra were optically identified, while in the case of C{sub 2}H{sub 2} introduction, C{sub 2} radicals were also identified in addition to CH radicals. Excitation temperature was determined from CH and C{sub 2} spectra band, which was observed to increase on approaching to the target. (author)

  3. Microbial degradation of polycyclic aromatic hydrocarbons

    International Nuclear Information System (INIS)

    Volkering, F.; Breure, A.M.; Andel, J.G. van

    1992-01-01

    Polycyclic aromatic hydrocarbons (PAH) are hazardous compounds originating from oil, tar, creosote, or from incomplete combustion of fossil fuels. Application of biotechnological techniques for remediation of polluted soils from PAH demonstrated that the high molecular compounds are degraded very slowly, and that the residual concentration of PAH often is too high to permit application of the treated soil. Investigations were started to establish process parameters for optimal biodegradation of PAH. The aim is to achieve a relation between the physical properties of PAH and the biodegradation kinetics in different matrices, in order to identify applicability of biotechnological cleanup methods for waste streams and polluted soil. (orig.) [de

  4. Production of hydrocarbons, especially ethylene

    Energy Technology Data Exchange (ETDEWEB)

    1952-01-17

    The invention has for its object a process for the production of gaseous nonsaturated hydrocarbons, particularly ethylene and aromatic hydrocarbons, by starting with hydrocarbon oils entirely of paraffinic nature or their fractions, which consists in putting the separated products in contact with solid inert material especially with porous nonmetallic inert material or of heavy metals or their alloys, maybe in a finely divided state or in the form, of pieces or chips, at a temperature above 500/sup 0/C, or better between 600 and 700/sup 0/C at a velocity per hour of 0.6 to 3.0, and preferably 0.75 to 1.5 parts per volume of products per each part of space volume of catalyst.

  5. Enrichment of light hydrocarbon mixture

    Science.gov (United States)

    Yang,; Dali, [Los Alamos, NM; Devlin, David [Santa Fe, NM; Barbero, Robert S [Santa Cruz, NM; Carrera, Martin E [Naperville, IL; Colling, Craig W [Warrenville, IL

    2010-08-10

    Light hydrocarbon enrichment is accomplished using a vertically oriented distillation column having a plurality of vertically oriented, nonselective micro/mesoporous hollow fibers. Vapor having, for example, both propylene and propane is sent upward through the distillation column in between the hollow fibers. Vapor exits neat the top of the column and is condensed to form a liquid phase that is directed back downward through the lumen of the hollow fibers. As vapor continues to ascend and liquid continues to countercurrently descend, the liquid at the bottom of the column becomes enriched in a higher boiling point, light hydrocarbon (propane, for example) and the vapor at the top becomes enriched in a lower boiling point light hydrocarbon (propylene, for example). The hollow fiber becomes wetted with liquid during the process.

  6. Production of hydrocarbons of value

    Energy Technology Data Exchange (ETDEWEB)

    1931-06-16

    A process is described for the production of hydrocarbons of great value by treating with heat and pressure carbonaceous materials such as coals, tars, mineral oils, and products of distillation and transformation of these materials, also for the refining with heat and pressure of mixed liquid hydrocarbons by means of hydrogen gas, preferably in the presence of catalysts, consisting in using as the hydrogenating gas that obtained by gasification of combustible solids after partial or complete cleaning at atmospheric or elevated pressures, by means of solid adsorbents, chemical agents or catalysts, or mixtures of these agents, the hydrocarbons being characterized by strong unsaturation, and the presence of oxygen, sulfur compounds, and oxides of nitrogen.

  7. Process of distilling heavy hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    1929-12-03

    This invention has for its object the distillation of heavy liquid hydrocarbons for the purpose of obtaining lighter hydrocarbons stable and immediately salable for fuels in combustion motors. The process is distinguished by the fact that the heavy hydrocarbon is distilled by means of heating to a temperature in keeping with the nature of the material to be treated up to 350/sup 0/C under pressure or without pressure the distillation being carried out on catalysts containing successively nickel, copper, and iron (3 parts of nickel, 1 part of copper, and 1 part of iron), the vapors produced by this distillation being exposed in turn to the action of catalysts of the same nature and in the same proportion.

  8. Limitations of microbial hydrocarbon degradation at the Amon mud volcano (Nile deep-sea fan)

    NARCIS (Netherlands)

    Felden, J.; Lichtschlag, A.; Wenzhöfer, F.; de Beer, D.; Feseker, T.; Pop Ristova, P.; de Lange, G.; Boetius, A.

    2013-01-01

    The Amon mud volcano (MV), located at 1250m water depth on the Nile deep-sea fan, is known for its active emission of methane and non-methane hydrocarbons into the hydrosphere. Previous investigations showed a low efficiency of hydrocarbon-degrading anaerobic microbial communities inhabiting the

  9. Preparing valuable hydrocarbons by hydrogenation

    Energy Technology Data Exchange (ETDEWEB)

    Pier, M

    1930-08-22

    A process is described for the preparation of valuable hydrocarbons by treatment of carbonaceous materials, like coal, tars, minerals oils, and their distillation and conversion products, and for refining of liquid hydrocarbon mixture obtained at raised temperature and under pressure, preferably in the presence of catalysts, by the use of hydrogen-containing gases, purified and obtained by distilling solid combustibles, characterized by the purification of the hydrogen-containing gases being accomplished for the purpose of practically complete removal of the oxygen by heating at ordinary or higher pressure in the presence of a catalyst containing silver and oxides of metals of group VI of the periodic system.

  10. Purifying and regenerating hydrocarbon oils

    Energy Technology Data Exchange (ETDEWEB)

    1931-11-19

    Hydrocarbons are freed from sulfur-containing compounds, colloidal asphaltic bodies and unstable unsaturated substances by treatment with a small amount of dilute sulfuric acid and a salt of a trivalent cation, such as ferric chloride or sulfate. Hydrocarbons specified are petroleum, crude benzol, low temperature tars, shale oil or vapor-phase cracked spirit. Motor spirit or lubricating oil distillates are refined and finally distilled. The acid reagent may be regenerated by filtering through sand or asbestos. Used lubricating oils may be treated similarly and after removal of refining agent, the oil is heated with an adsorbent and decolorizing material and then filtered.

  11. Hydrocarbons cocktails of the future

    International Nuclear Information System (INIS)

    Anon.

    2004-01-01

    This publication of the Areva Group, a world nuclear industry leader, provides information on the energy in many domains. This issue deals with the CO 2 pollution exchange, the carbon sinks to compensate the CO 2 , the green coal as an innovative solution, an outsize dam in China, the solar energy progresses in France and the french medicine academy in favor of Nuclear. A special chapter is devoted to the hydrocarbons of the future, artificial chemical combination created from constituents of hydrocarbons and derived from various sources. (A.L.B.)

  12. Structural communication between the chromophore-binding pocket and the N-terminal extension in plant phytochrome phyB.

    Science.gov (United States)

    Velázquez Escobar, Francisco; Buhrke, David; Fernandez Lopez, Maria; Shenkutie, Sintayehu Manaye; von Horsten, Silke; Essen, Lars-Oliver; Hughes, Jon; Hildebrandt, Peter

    2017-05-01

    The N-terminal extension (NTE) of plant phytochromes has been suggested to play a functional role in signaling photoinduced structural changes. Here, we use resonance Raman spectroscopy to study the effect of the NTE on the chromophore structure of B-type phytochromes from two evolutionarily distant plants. NTE deletion seems to have no effect on the chromophore in the inactive Pr state, but alters the torsion of the C-D ring methine bridge and the surrounding hydrogen bonding network in the physiologically active Pfr state. These changes are accompanied by a shift of the conformational equilibrium between two Pfr substates, which might affect the thermal isomerization rate of the C-D double bond and, thus, account for the effect of the NTE on the dark reversion kinetics. © 2017 Federation of European Biochemical Societies.

  13. BIOREMEDIATION OF A PETROLEUM-HYDROCARBON

    African Journals Online (AJOL)

    ES OBE

    under field conditions in the bioremediation of a petroleum- hydrocarbon polluted ... an accelerated biodegradation of petroleum hydrocarbons in a polluted agricultural soil ..... 12) Jackson, M.L. Soil chemical analysis. ... biological assay. 3 rd.

  14. Total Petroleum Hydrocarbons (TPH): ToxFAQs

    Science.gov (United States)

    ... a state: This map displays locations where Total Petroleum Hydrocarbons (TPH) is known to be present. On ... I get more information? ToxFAQs TM for Total Petroleum Hydrocarbons (TPH) ( Hidrocarburos Totales de Petróleo (TPH) ) August ...

  15. Light transmission through intraocular lenses with or without yellow chromophore (blue light filter) and its potential influence on functional vision in everyday environmental conditions.

    Science.gov (United States)

    Owczarek, Grzegorz; Gralewicz, Grzegorz; Skuza, Natalia; Jurowski, Piotr

    2016-01-01

    In this research the factors used to evaluate the light transmission through two types of acrylic hydrophobic intraocular lenses, one that contained yellow chromophore that blocks blue light transmission and the other which did not contain that filter, were defined according to various light condition, e.g., daylight and at night. The potential influence of light transmission trough intraocular lenses with or without yellow chromophore on functional vision in everyday environmental conditions was analysed.

  16. Spatiotemporal Characterization of Chromophoric Dissolved Organic Matter (CDOM) and CDOM-DOC Relationships for Highly Polluted Rivers

    OpenAIRE

    Sijia Li; Jiquan Zhang; Guangyi Mu; Hanyu Ju; Rui Wang; Danjun Li; Ali Hassan Shabbir

    2016-01-01

    Spectral characteristics of CDOM (Chromophoric dissolved organic matter) in water columns are a key parameter for bio-optical modeling. Knowledge of CDOM optical properties and spatial discrepancy based on the relationship between water quality and spectral parameters in the Yinma River watershed with in situ data collected from highly polluted waters are exhibited in this study. Based on the comprehensive index method, the riverine waters showed serious contamination; especially the chemical...

  17. Delineating the relationship between chromophoric dissolved organic matter (CDOM) variability and biogeochemical parameters in a shallow continental shelf

    OpenAIRE

    Sourav Das; Sugata Hazra; Aneesh A. Lotlikar; Isha Das; Sandip Giri; Abhra Chanda; Anirban Akhand; Sourav Maity; T. Srinivasa Kumar

    2016-01-01

    Absorption coefficient of chromophoric dissolved organic matter (CDOM) at 440 nm [aCDOM (440)], sea surface salinity (SSS), total suspended matter (TSM) and chlorophyll-a (chl-a) were measured during October, 2014 to March, 2015 in the shallow continental shelf waters of the Hugli Estuary, adjacent to West Bengal coast, India. The primary objective of the study was to characterize the relationship between aCDOM (440) and the above mentioned biogeochemical parameters. Upon analyzing the result...

  18. Distribution of hydrocarbons released during the 2010 MC252 oil spill in deep offshore waters

    International Nuclear Information System (INIS)

    Spier, Chelsea; Stringfellow, William T.; Hazen, Terry C.; Conrad, Mark

    2013-01-01

    The explosion of the Deepwater Horizon oil platform on April 20th, 2010 resulted in the second largest oil spill in history. The distribution and chemical composition of hydrocarbons within a 45 km radius of the blowout was investigated. All available certified hydrocarbon data were acquired from NOAA and BP. The distribution of hydrocarbons was found to be dispersed over a wider area in subsurface waters than previously predicted or reported. A deepwater hydrocarbon plume predicted by models was verified and additional plumes were identified. Because the samples were not collected systematically, there is still some question about the presence and persistence of an 865 m depth plume predicted by models. Water soluble compounds were extracted from the rising oil in deepwater, and were found at potentially toxic levels outside of areas previously reported to contain hydrocarbons. Application of subsurface dispersants was found to increase hydrocarbon concentration in subsurface waters. - Highlights: ► The hydrocarbon distribution was more widely spread than previously predicted or reported. ► 4 subsurface plumes were identified. ► More soluble compounds were preferentially extracted in the deepwater. ► Percentage of detectable results is a useful data analysis technique. ► Subsurface dispersants application increased hydrocarbons in subsurface waters. - All available certified Deepwater Horizon data was used to determine the spatial, temporal, and chemical distribution of hydrocarbons in subsurface of the Gulf of Mexico.

  19. Hydrocarbon potential of Ordovician and Silurian rocks. Siljan Region (Sweden)

    Energy Technology Data Exchange (ETDEWEB)

    Berner, U. [Bundesanstalt fuer Geowissenschaften und Rohstoffe (BGR), Hannover (Germany); Lehnert, O. [Erlangen-Nuernberg Univ., Erlangen (Germany); Meinhold, G. [Goettingen Univ. (Germany)

    2013-08-01

    Hydrocarbon exploration in the vicinity of Europe's largest impact structure (Siljan, Central Sweden) focused for years on abiogenic concepts and largely neglected state of the art knowledge on hydrocarbon generation via thermal decomposition of organic matter. In our study we use sedimentary rocks obtained from three drill sites (Mora001, Stumsnaes 1 and Solberga 1) within the ring structure around the central uplift to investigate the hydrocarbon potential of Ordovician and Silurian strata of the region and also for comparison with the shale oil and gas potential of age equivalent rocks of the Baltic Sea. Elemental analyses provided information on concentrations of carbonate and organic carbon, total sulfur as well as on the composition of major and minor elements of the sediments. The data has been used to evaluate the depositional environment and possible diagenetic alterations of the organic matter. RockEval pyrolysis and solvent hydrocarbon extraction gave insight into the hydrocarbon generation potential and the type and thermal maturity of the sediments. From the geochemistry data of the studied wells it is obvious that changes of depositional environments (lacustrine - marine) have occurred during Ordovician and Silurian times. Although, the quality of the organic matter has been influenced in marine and brackish environments through sulfate reduction, we observe for a number of marine and lacustrine sediments a good to excellent preservation of the biological precursors which qualify the sediments as hydrocarbon source rocks (Type II kerogens). Lacustrine source rocks show a higher remaining hydrocarbon potential (up to {proportional_to}550 mg HC per g C{sub org}) than those of marine or brackish environments. Our investigations indicate that the thermal maturity of organic matter of the drill sites has reached the initial stage of oil generation. However, at Mora001 some of the sediments were stained with oil indicating that hydrocarbons have

  20. Synthesis and solution aggregation studies of a suite of mixed neutral and zwitterionic chromophores for second-order nonlinear optics.

    Science.gov (United States)

    Peddie, Victoria; Anderson, Jack; Harvey, Joanne E; Smith, Gerald J; Kay, Andrew

    2014-11-07

    We report details of the synthesis of a series of bi- and trichromophores. These compounds contain mixtures of chromophores that have zwitterionic (ZWI) and neutral ground state (NGS) components covalently attached to each other. The neutral ground state moieties are based on dyes with aniline donors--such as Disperse Red 1--whereas the zwitterionic components are derived from chromophores with pro-aromatic donors such as 1,4-dihydropyridinylidene. By combining both ZWI and NGS components, we aim to develop novel compounds for nonlinear optics in which there is an enhancement of the overall hyperpolarizability coupled with a decrease in the net dipole moment. Thus, this approach should eliminate the electrostatic effects that result when only one type of chromophore is used, and so reduce the likelihood of undesirable aggregation occurring. This, in turn, should enable us to realize organic materials with large macroscopic optical nonlinearities. An analysis of the UV-vis results suggests that there is a strong dependence on solvent polarity that determines whether the embedded constituents should be treated as discrete elements; in low polarity solvents, there appear to be strong intramolecular interactions occurring, particularly when a 1,4-quinolinylidene-based donor is used in the ZWI component.

  1. Thermal behavior of J-aggregates in a Langmuir-Blodgett film of pure merocyanine dye investigated by UV-visible and IR absorption spectroscopy.

    Science.gov (United States)

    Hirano, Yoshiaki; Tateno, Shinsuke; Maio, Ari; Ozaki, Yukihiro

    2009-03-05

    We have characterized the structure of J-aggregate in a Langmuir-Blodgett film of pure merocyanine dye (MS18) fabricated under an aqueous subphase containing a cadmium ion (Cd2+) and have investigated its thermal behavior by UV-visible and IR absorption spectroscopy in the range from 25 to 250 degrees C with a continuous scan. The results of both UV-visible and IR absorption spectra indicate that temperature-dependent changes in the MS18 aggregation state in the pure MS18 system are closely and mildly linked with the MS18 intramolecular charge transfer and the behavior of the packing, orientation, conformation, and thermal mobility of MS18 hydrocarbon chain, respectively. The J-aggregate in the pure MS18 system dissociates from 25 to 150 degrees C, and the dissociation temperature at 150 degrees C is higher by 50 degrees C than that in the previous MS18- arachidic acid (C20) binary system. The lower dissociation temperature in the binary system originates from the fact that temperature-dependent structural disorder of cadmium arachidate (CdC20), being phase-separated from MS18, has an influence on the dissociation of J-aggregate. From 160 to 180 degrees C, thermally induced blue-shifted bands, caused by the oligomeric MS18 aggregation, appear at around 520 nm in the pure MS18 system by contraries, regardless of the lack of driving force by the melting phenomenon of CdC20. The temperature at which the 520 nm bands occur is in good agreement with the melting point (160 degrees C) of hydrocarbon chain in MS18 with Cd2+, whereas its chromophore part is clearly observed to melt near 205 degrees C by UV-visible spectra. Therefore, it is suggested that the driving force that induces the 520 nm band in the pure MS18 system arises from the partial melting of hydrocarbon chain in MS18 with Cd2+.

  2. Polycyclic aromatic hydrocarbons in the coastal sea water, the surface sediment and Mudskipper Boleophthalmus dussumieri from coastal areas of the Persian Gulf: source investigation, composition pattern and spatial distribution.

    Science.gov (United States)

    Sinaei, Mahmood; Mashinchian, Ali

    2014-03-10

    Persian Gulf is an exposed and stressed area as a result of oil pollution and other fossil fuels containing PAHs. The susceptibility of using mudskippers to monitor marine pollution, like PAHs, points to the fact that mudskippers are able to accumulate and record the PAHs presented in the coastal environments. Polycyclic aromatic hydrocarbons (PAHs) were examined in the coastal waters, the sediments and biota (i.e., Boleophthalmus dussumieri) along the coast of the Persian Gulf. PAHs concentrations were measured with HPLC method. Total PAH concentrations in the sea water, the sediments, the liver and the gill tissues ranged between 0.80-18.34 μg/l, 113.50-3384.34 ng g-1 (d w), 3.99-46.64 ng g-1 (d w) and 3.11-17.76 ng g-1 (d w), respectively. PAHs distribution patterns in the sediment and the liver tissue samples were dominated by three-and four-ring structures whereas two-and three-rings were dominated in the water and the gill. This finding revealed a negative eco-risk effects occasionally occur in this area. The higher presence of low condensate ring structures reflected a predominant origin of petrogenic and some cases of pyrolitic sources.

  3. Effective viscosity of confined hydrocarbons

    DEFF Research Database (Denmark)

    Sivebæk, Ion Marius; Samoilov, V.N.; Persson, B.N.J.

    2012-01-01

    We present molecular dynamics friction calculations for confined hydrocarbon films with molecular lengths from 20 to 1400 carbon atoms. We find that the logarithm of the effective viscosity ηeff for nanometer-thin films depends linearly on the logarithm of the shear rate: log ηeff=C-nlog γ̇, where...

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

    Science.gov (United States)

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

    2010-04-01

    Twenty-eight surface water samples from rivers, muddy intertidal flats, sand shores, and bedrock coasts were collected along the Zhejiang coastline in southeast 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, and DOC constituents, the 28 Zhejiang samples were categorized into four groups, i.e. highly-polluted, river derived, muddy-flat derived, and saltwater dominated ones. Among the six parameters (two humic-like and two protein-like peak intensities in fluorescence EEM contours, absorption at 300 nm, and DOC concentration) for the Zhejiang samples, any two of them were positively correlated. The submarine groundwater discharge, rather than local rivers, might have provided most of the freshwater that interacted with the saltwater during the mixing process. The high protein-like EEM peaks in samples from muddy salt marshes and rivers were probably caused by terrestrial inputs, land-based pollution, and local biological activities in combination. Copyright 2009. Published by Elsevier Ltd.

  5. 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.

  6. 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.

  7. DFT calculations on spectroscopic and structural properties of a NLO chromophore

    Science.gov (United States)

    Altürk, Sümeyye; Avci, Davut; Tamer, Ömer; Atalay, Yusuf

    2016-03-01

    The molecular geometry optimization, vibrational frequencies and gauge including atomic orbital (GIAO) 1H and 13C NMR chemical shift values of 2-(1'-(4'''-Methoxyphenyl)-5'-(thien-2″-yl)pyrrol-2'-yl)-1,3-benzothiazole as potential nonlinear optical (NLO) material were calculated using density functional theory (DFT) HSEh1PBE method with 6-311G(d,p) basis set. The best of our knowledge, this study have not been reported to date. Additionally, a detailed vibrational study was performed on the basis of potential energy distribution (PED) using VEDA program. It is noteworthy that NMR chemical shifts are quite useful for understanding the relationship between the molecular structure and electronic properties of molecules. The computed IR and NMR spectra were used to determine the types of the experimental bands observed. Predicted values of structural and spectroscopic parameters of the chromophore were compared with each other so as to display the effects of the different substituents on the spectroscopic and structural properties. Obtained data showed that there is an agreement between the predicted and experimental data.

  8. Resonance Raman spectra of the copper-sulfur chromophores in Achromobacter cycloclastes nitrite reductase.

    Science.gov (United States)

    Dooley, D M; Moog, R S; Liu, M Y; Payne, W J; LeGall, J

    1988-10-15

    Resonance Raman spectroscopy at ambient temperature and 77 K has been used to probe the structures of the copper sites in Achromobacter cycloclastes nitrite reductase. This enzyme contains three copper ions per protein molecule and has two principal electronic absorption bands with lambda max values of 458 and 585 nm. Comparisons between the resonance Raman spectra of nitrite reductase and blue copper proteins establish that both the 458 and 585 nm bands are associated with Cu(II)-S(Cys) chromophores. A histidine ligand probably is also present. Different sets of vibrational frequencies are observed with 457.9 nm (ambient) or 476.1 nm (77 K) excitation as compared with 590 nm (ambient) or 593 nm (77 K) excitation. Excitation profiles indicate that the 458 and 585 nm absorption bands are associated with separate [Cu(II)-S(Cys)N(His)] sites or with inequivalent and uncoupled cysteine ligands in the same site. The former possibility is considered to be more likely.

  9. Determination of the absorption coefficient of chromophoric dissolved organic matter from underway spectrophotometry.

    Science.gov (United States)

    Dall'Olmo, Giorgio; Brewin, Robert J W; Nencioli, Francesco; Organelli, Emanuele; Lefering, Ina; McKee, David; Röttgers, Rüdiger; Mitchell, Catherine; Boss, Emmanuel; Bricaud, Annick; Tilstone, Gavin

    2017-11-27

    Measurements of the absorption coefficient of chromophoric dissolved organic matter (ay) are needed to validate existing ocean-color algorithms. In the surface open ocean, these measurements are challenging because of low ay values. Yet, existing global datasets demonstrate that ay could contribute between 30% to 50% of the total absorption budget in the 400-450 nm spectral range, thus making accurate measurement of ay essential to constrain these uncertainties. In this study, we present a simple way of determining ay using a commercially-available in-situ spectrophotometer operated in underway mode. The obtained ay values were validated using independent collocated measurements. The method is simple to implement, can provide measurements with very high spatio-temporal resolution, and has an accuracy of about 0.0004 m -1 and a precision of about 0.0025 m -1 when compared to independent data (at 440 nm). The only limitation for using this method at sea is that it relies on the availability of relatively large volumes of ultrapure water. Despite this limitation, the method can deliver the ay data needed for validating and assessing uncertainties in ocean-colour algorithms.

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

    Science.gov (United States)

    Clark, Catherine D; de Bruyn, Warren; Jones, Joshua G

    2014-02-15

    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 (Θ app; 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. Copyright © 2014 Elsevier Ltd. All rights reserved.

  11. Characterization of chromophoric dissolved organic matter (CDOM) in rainwater using fluorescence spectrophotometry.

    Science.gov (United States)

    Salve, P R; Lohkare, H; Gobre, T; Bodhe, G; Krupadam, R J; Ramteke, D S; Wate, S R

    2012-02-01

    The fluorescence excitation-emission matrix of Chromophoric dissolved organic matter (CDOM) samples from rainwater collected at Rameswaram, Tamilnadu, India are analysed. Total five peaks were observed for humic/marine and protein likes substances respectively. The peak A and C intensities varies form 1.98 ± 0.28 and 0.97 ± 0.11 QSU respectively represents humic like substances. The peak B and T intensities varies from 3.94 ± 0.75 and 7.42 ± 1.43 QSU showed association of protein like substances whereas peak M intensities varies from 1.92 ± 0.37 QSU indicates marine contribution. Among the fluorophores, the following sequence were observed as T > B > A > M > C which indicates dominance of Tryptophan like substances in rainwater. The average peak T/C ratios was observed as 7.88 ± 2.2 indicates microbial contamination by Tryptophan-like substances with the high biological activity and low volatility.

  12. [Spectral characteristics variations of chromophoric dissolved organic matter during growth of filamentous green macroalgae].

    Science.gov (United States)

    Jiang, De-gang; Huang, Qing-hui; Li, Jian-hua

    2010-07-01

    As an important component of dissolved organic matter (DOM), chromophoric dissolved organic matter (CDOM) plays a central role in the global biogeochemical carbon cycle. Macroalgae are essential producers in aquatic ecosystems. They can release a considerable part of photosynthetic products as CDOM. So changes in optical properties of CDOM are studied on filamentous green macroalgae-Chadophorasle found in tidal flats of a brackish Lake Beihu in natural field condition by using spectrometry. Humic-like fluorescence peaks and protein-like fluorescence peaks detected by fluorescence excitation-emission matrix spectrum (EEMS) change little in control experiment but increase dramatically in incubation experiment. Applying parallel factor analysis (PARAFAC) together with fluorescence excitation-emission matrix can get four components of CDOM (C1, C2, C3 and C4) which are relative to humic-like fluorescence peak A(C), M and protein-like fluorescence peak B, T respectively. In incubation experiment four components increase by 211.5%, 255.8%, 75.3% and 129.3% respectively while in control experiment components have little changes except C1 decreasing by 34.3%. Absorption coefficient alpha (355) increases by 92.9% and has positive significant correlation (P CDOM molecular weight and composition, M and S values in incubation experiment are smaller than in control experiment, which illustrate that aromatic and macromolecular CDOM is produced in growth of Chadophorasle. All results indicate that growth of Chadophorasle can change the content and composition of CDOM.

  13. Mixing behavior of chromophoric dissolved organic matter in the Pearl River Estuary in spring

    Science.gov (United States)

    Lei, Xia; Pan, Jiayi; Devlin, Adam T.

    2018-02-01

    Mixing behavior of chromophoric dissolved organic matter (CDOM) in the Pearl River Estuary (PRE) and relevant hydrodynamic parameters such as horizontal transport and vertical mixing are identified and discussed based on a set of sampling data obtained during a cruise in May 2014. Using a theoretical conservative mixing model, the surface CDOM in the PRE in spring is classified into two groups by the CDOM absorption-spectral slope relationship (a(300) vs S(275-295)): First, terrigenous CDOM under a non-conservative mixing condition, and removal processes such as photobleaching are suggested to happen; second, marine CDOM behaves conservatively during mixing. The mixing of CDOM at the bottom is shown to be conservative. Controlled by the two-layer gravitational circulation in the PRE, the northern and western estuary shows higher CDOM absorption and lower spectral slope than the southern and eastern estuary, and the surface CDOM presents higher absorption and lower spectral slope than the bottom. Horizontal transport is hypothesized to be the dominant hydrodynamic mechanism affecting CDOM variation and mixing behavior in the PRE, while the vertical mixing has less influence.

  14. 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.

  15. Crystallographic Structure of Xanthorhodopsin, the Light-Driven Proton Pump With a Dual Chromophore

    International Nuclear Information System (INIS)

    Luecke, H.; Schobert, B.; Stagno, J.; Imasheva, E.S.; Wang, J.M.; Balashov, S.P.; Lanyi, J.K

    2008-01-01

    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 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 ∼45%, and the 46 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

  16. Development of oil hydrocarbon fingerprinting and identification techniques

    International Nuclear Information System (INIS)

    Wang Zhendi; Fingas, Merv F.

    2003-01-01

    Oil, refined product, and pyrogenic hydrocarbons are the most frequently discovered contaminants in the environment. To effectively determine the fate of spilled oil in the environment and to successfully identify source(s) of spilled oil and petroleum products is, therefore, extremely important in many oil-related environmental studies and liability cases. This article briefly reviews the recent development of chemical analysis methodologies which are most frequently used in oil spill characterization and identification studies and environmental forensic investigations. The fingerprinting and data interpretation techniques discussed include oil spill identification protocol, tiered analytical approach, generic features and chemical composition of oils, effects of weathering on hydrocarbon fingerprinting, recognition of distribution patterns of petroleum hydrocarbons, oil type screening and differentiation, analysis of 'source-specific marker' compounds, determination of diagnostic ratios of specific oil constituents, stable isotopic analysis, application of various statistical and numerical analysis tools, and application of other analytical techniques. The issue of how biogenic and pyrogenic hydrocarbons are distinguished from petrogenic hydrocarbons is also addressed

  17. Prediction of Petroleum Hydrocarbon Bioavailability in Contaminated Soils and Sediments

    NARCIS (Netherlands)

    Cuypers, M.P.; Clemens, R.; Grotenhuis, J.T.C.; Rulkens, W.H.

    2001-01-01

    Recently, several laboratory methods have been developed for the prediction of contaminant bioavailability. So far, none of these methods has been extensively tested for petroleum hydrocarbons. In the present study we investigated solid-phase extraction and persulfate oxidation for the prediction of

  18. Enhancement of aromatic and saturated hydrocarbon by modified ...

    African Journals Online (AJOL)

    Three sediment samples collected from the Qua Iboe River System and eighteen different column packing ratios of silica gel and alumina were used in this investigation. The variation of the composition of the stationary phase (silica gel and alumina, SA) gave different yields of aromatic and saturated hydrocarbons. In all the ...

  19. Petroleum Hydrocarbons Contamination Profile of Ochani Stream in ...

    African Journals Online (AJOL)

    Petroleum hydrocarbon contamination profile, heavy metals and some physicochemical parameters were investigated in Ochani Stream site in Ejamah Ebubu, Eleme Local Government Area of Rivers State. The results show that a major crude oil spillage occurred at Ejamah Ebubu, Rivers State, Nigeria approximately 30 ...

  20. Comparison between different bio-treatments of a hydrocarbon ...

    African Journals Online (AJOL)

    We investigated the bio-remediation of a hydrocarbon contaminated soil pile that ... Nutrient and microbial amendments did not confer any long-term benefit on the ... Denaturing gradient gel electrophoresis (DGGE) analyses of 16S rDNA and ...

  1. Catalytic Upgrading of Sugars to Hydrocarbons Technology Pathway

    Energy Technology Data Exchange (ETDEWEB)

    Biddy, Mary J.; Jones, Susanne B.

    2013-03-31

    In support of the Bioenergy Technologies Office, the National Renewable Energy Laboratory (NREL) and the Pacific Northwest National Laboratory (PNNL) are undertaking studies of biomass conversion technologies to hydrocarbon fuels to identify barriers and target research toward reducing conversion costs. Process designs and preliminary economic estimates for each of these pathway cases were developed using rigorous modeling tools (Aspen Plus and Chemcad). These analyses incorporated the best information available at the time of development, including data from recent pilot and bench-scale demonstrations, collaborative industrial and academic partners, and published literature and patents. This technology pathway case investigates the catalytic conversion of solubilized carbohydrate streams to hydrocarbon biofuels, utilizing data from recent efforts within the National Advanced Biofuels Consortium (NABC) in collaboration with Virent, Inc.. Technical barriers and key research needs that should be pursued for the catalytic conversion of sugars pathway to be competitive with petroleum-derived gasoline, diesel and jet range hydrocarbon blendstocks have been identified.

  2. Mathematical approaches in deriving hydrocarbons expressions from seismic data

    Energy Technology Data Exchange (ETDEWEB)

    Farfour, Mohammed; Yoon, Wang Jung; Yoon-Geun [Geophysical Prospecting Lab, Energy & Resources Eng., Dept., Chonnam National University, Gwangju (Korea, Republic of); Lee, Jeong-Hwan [Petroleum Engineering & Reservoir Simulation Lab, Energy & Resources Eng., Dept., Chonnam National University, Gwangju (Korea, Republic of)

    2016-06-08

    Defining and understanding hydrocarbon expressions in seismic expression is main concern of geoscientists in oil and gas exploration and production. Over the last decades several mathematical approaches have been developed in this regard. Most of approaches have addressed information in amplitude of seismic data. Recently, more attention has been drawn towards frequency related information in order to extract frequency behaviors of hydrocarbons bearing sediments. Spectrally decomposing seismic data into individual frequencies found to be an excellent tool for investigating geological formations and their pore fluids. To accomplish this, several mathematical approaches have been invoked. Continuous wavelet transform and Short Time Window Fourier transform are widely used techniques for this purpose. This paper gives an overview of some widely used mathematical technique in hydrocarbon reservoir detection and mapping. This is followed by an application on real data from Boonsville field.

  3. Enhanced hydrocarbon biodegradation by a newly isolated bacillus subtilis strain

    International Nuclear Information System (INIS)

    Christova, N.; Tuleva, B.; Nikolova-Damyanova, B.

    2004-01-01

    The relation between hydrocarbon degradation and biosurfactant (rhamnolipid) production by a new bacillus subtilis 22BN strain was investigated. The strain was isolated for its capacity to utilize n-hexadecane and naphthalene and at the same time to produce surface-active compound at high concentrations (1.5 - 2.0 g l -1 ). Biosurfactant production was detected by surface tension lowering and emulsifying activity. The strain is a good degrader of both hydrocarbons used with degradability of 98.3 ± 1% and 75 ± 2% for n-hexadecane and naphthalene, respectively. Measurement of cell hydrophobicity showed that the combination of slightly soluble substrate and rhamnolipid developed higher hydrophobicity correlated with increased utilization of both hydrocarbon substrates. To our knowledge, this is the first report of bacillus subtilis strain that degrades hydrophobic compounds and at the same time produces rhamnolipid biosurfactant. (orig.)

  4. Geophysical Signitures From Hydrocarbon Contaminated Aquifers

    Science.gov (United States)

    Abbas, M.; Jardani, A.

    2015-12-01

    The task of delineating the contamination plumes as well as studying their impact on the soil and groundwater biogeochemical properties is needed to support the remediation efforts and plans. Geophysical methods including electrical resistivity tomography (ERT), induced polarization (IP), ground penetrating radar (GPR), and self-potential (SP) have been previously used to characterize contaminant plumes and investigate their impact on soil and groundwater properties (Atekwana et al., 2002, 2004; Benson et al., 1997; Campbell et al., 1996; Cassidy et al., 2001; Revil et al., 2003; Werkema et al., 2000). Our objective was to: estimate the hydrocarbon contamination extent in a contaminated site in northern France, and to adverse the effects of the oil spill on the groundwater properties. We aim to find a good combination of non-intrusive and low cost methods which we can use to follow the bio-remediation process, which is planned to proceed next year. We used four geophysical methods including electrical resistivity tomography, IP, GPR, and SP. The geophysical data was compared to geochemical ones obtained from 30 boreholes installed in the site during the geophysical surveys. Our results have shown: low electrical resistivity values; high chargeability values; negative SP anomalies; and attenuated GPR reflections coincident with groundwater contamination. Laboratory and field geochemical measurements have demonstrated increased groundwater electrical conductivity and increased microbial activity associated with hydrocarbon contamination of groundwater. Our study results support the conductive model suggested by studies such as Sauck (2000) and Atekwana et al., (2004), who suggest that biological alterations of hydrocarbon contamination can substantially modify the chemical and physical properties of the subsurface, producing a dramatic shift in the geo-electrical signature from resistive to conductive. The next stage of the research will include time lapse borehole

  5. Dynamics of chromophoric dissolved organic matter influenced by hydrological conditions in a large, shallow, and eutrophic lake in China.

    Science.gov (United States)

    Zhou, Yongqiang; Zhang, Yunlin; Shi, Kun; Liu, Xiaohan; Niu, Cheng

    2015-09-01

    High concentrations of chromophoric dissolved organic matter (CDOM) are terrestrially derived from upstream tributaries to Lake Taihu, China, and are influenced by hydrological conditions of the upstream watershed. To investigate how the dynamics of CDOM in Lake Taihu are influenced by upstream inflow runoff, four sampling cruises, differing in hydrological conditions, were undertaken in the lake and its three major tributaries, rivers Yincun, Dapu, and Changdou. CDOM absorption, fluorescence spectroscopy, chemical oxygen demand (COD), and stable isotope δ(13)C and δ(15)N measurements were conducted to characterize the dynamics of CDOM. The mean absorption coefficient a(350) collected from the three river profiles (5.15 ± 1.92 m(-1)) was significantly higher than that of the lake (2.95 ± 1.88 m(-1)), indicating that the upstream rivers carried a substantial load of CDOM to the lake. This finding was substantiated by the exclusively terrestrial signal exhibited by the level of δ(13)C (-26.23 ± 0.49‰) of CDOM samples collected from the rivers. Mean a(350) and COD in Lake Taihu were significantly higher in the wet season than in the dry season (t test, p CDOM in the lake is strongly influenced by hydrological conditions of the watershed. Four components were identified by parallel factor analysis, including two protein-like components (C1 and C2), a terrestrial humic-like component (C3), and a microbial humic-like (C4) component. The contribution percentage of the two humic-like components relative to the summed fluorescence intensity of the four components (C humic) increased significantly from the dry to the wet season. This seasonal difference in contribution further substantiated that an enhanced rainfall followed by an elevated inflow runoff in the lake watershed in the wet season may result in an increase in humic-like substances being discharged into the lake compared to that in the dry season. This finding was further supported by an

  6. In vitro toxicity of polycyclic aromatic hydrocarbons and halogenated aromatic hydrocarbons to cetacean cells and tissues

    Energy Technology Data Exchange (ETDEWEB)

    Carvan, M.J. III.

    1993-01-01

    Cetaceans bioaccumulate high aromatic hydrocarbon tissue residues, and elevated levels of PCB residues in tissues are proposed to have occurred concurrently with recent epizootic deaths of dolphins. The objectives of this study were: (1) to develop and characterize an epithelial cell line derived from dolphin tissues, (2) to investigate the effects of hydrocarbon pollutants on those cells, and (3) to analyze the toxicity of hydrocarbon pollutants on cetacean tissues in vitro. An epithelial cell line, Carvan dolphin kidney (CDK), isolated from a spontaneously aborted female bottlenose dolphin, Tursiops truncatus, grew rapidly. These cells were neither transformed nor immortal. Velocity sedimentation analysis showed CDK cells contained nuclear aryl hydrocarbon receptor, suggestive of cytochrome P450 inducibility. BaP inhibited mitosis in CDK cells in a dose-dependent manner. Data indicate that CDK cells metabolize BaP, that BaP metabolites bind to cellular DNA initiating unscheduled DNA synthesis, and that the inhibition of cytochrome P450 metabolism decrease the BaP-associated inhibition of mitosis in dolphin cells. The data also suggest that TCDD acts synergistically to increase the levels of DNA damage by the procarcinogen BaP. Cetacean liver microsomes was isolated and evaluated for the presence of cytochrome P450 proteins by SDS-PAGE, apparent minimum molecular weight determination, and immunoblot analysis. P450 activity was induced in cetacean tissue samples and CDK cells by exposure in vitro to one of several cytochrome P450-inducing chemicals. The data suggest that cetacean tissues and cells can be utilized to study the in vitro induction of cytochrome P450, resultant metabolism of xenobiotic contaminants, and the subsequent cellular and molecular responses. However, the identity of specific P450 isozymes involved in this process will remain undetermined until monoclonal antibodies that recognize cetacean P450s can be generated.

  7. Biodegradation of petroleum hydrocarbons in hypersaline environments

    Directory of Open Access Journals (Sweden)

    Luiz Fernando Martins

    2012-09-01

    Full Text Available Literature on hydrocarbon degradation in extreme hypersaline media presents studies that point to a negative effect of salinity increase on hydrocarbonoclastic activity, while several others report an opposite tendency. Based on information available in the literature, we present a discussion on the reasons that justify these contrary results. Despite the fact that microbial ability to metabolize hydrocarbons is found in extreme hypersaline media, indeed some factors are critical for the occurrence of hydrocarbon degradation in such environments. How these factors affect hydrocarbon degradation and their implications for the assessment of hydrocarbon biodegradation in hypersaline environments are presented in this review.

  8. Process for separating liquid hydrocarbons from waxes

    Energy Technology Data Exchange (ETDEWEB)

    Sowa, F J

    1948-03-08

    A process is described for the separation of liquid hydrocarbons from waxes comprising adding to a mixture of liquid hydrocarbons and waxes a sufficient quantity of an organo-silicon compound to cause the separation of the hydrocarbon and wax. The organo-silicon compounds are selected from the class of organic silicanes and their hydrolysis products and polymers. The silicanes have the formula R/sub y/SiX/sub z/, in which R is a saturated or unsaturated hydrocarbon radical, X is a halogen or another hydrocarbon radical or an -OR group, y has a value 1, 2, or 3 and z has a value 1, 2, or 3.

  9. Tolerance of Antarctic soil fungi to hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Hughes, Kevin A.; Bridge, Paul; Clark, Melody S. [British Antarctic Survey, Natural Environment Research Council, High Cross, Madingley Road, Cambridge CB3 0ET (United Kingdom)

    2007-01-01

    Little is known about the effects of hydrocarbons and fuel oil on Antarctic filamentous fungi in the terrestrial Antarctic environment. Growth of fungi and bacteria from soils around Rothera Research Station (Adelaide Island, Antarctic Peninsula) was assessed in the presence of ten separate aromatic and aliphatic hydrocarbons [marine gas oil (MGO), dodecane, hexadecane, benzoic acid, p-hydroxybenzoic acid, toluene, phenol, biphenyl, naphthalene and m- and p-xylenes with ethylbenzene]. Aromatic hydrocarbons inhibited soil microbial growth more than aliphatic hydrocarbons. Soil microorganisms from a moss patch, where little previous impact or hydrocarbon contamination had occurred, were less tolerant of hydrocarbons than those from high impact sites. Fungal growth rates of Mollisia sp., Penicillium commune, Mortierella sp., Trichoderma koningii, Trichoderma sp. and Phoma herbarum were assessed in the presence of hydrocarbons. Generally, aromatic hydrocarbons inhibited or stopped hyphal extension, though growth rates increased with some aliphatic hydrocarbons. Hyphal dry weight measurements suggested that Mortierella sp. may be able to use dodecane as sole carbon and energy source. Hydrocarbon-degrading Antarctic fungi may have use in future hydrocarbon spill bioremediation. (author)

  10. Degradation of polynuclear aromatic hydrocarbons by two strains of Pseudomonas.

    Science.gov (United States)

    Nwinyi, Obinna C; Ajayi, Oluseyi O; Amund, Olukayode O

    2016-01-01

    The goal of this investigation was to isolate competent polynuclear aromatic hydrocarbons degraders that can utilize polynuclear aromatic hydrocarbons of former industrial sites at McDoel Switchyard in Bloomington, Indiana. Using conventional enrichment method based on soil slurry, we isolated, screened and purified two bacterial species strains PB1 and PB2. Applying the ribotyping technique using the 16S rRNA gene analysis, the strains were assigned to the genus Pseudomonas (Pseudomonas plecoglossicida strain PB1 and Pseudomonas sp. PB2). Both isolates showed promising metabolic capacity on pyrene sprayed MS agar plates during the preliminary investigations. Using time course studies in the liquid cultures at calculated concentrations 123, 64, 97 and 94ppm for naphthalene, chrysene, fluroanthene and pyrene, P. plecoglossicida strain PB1 and Pseudomonas sp. PB2 showed partial utilization of the polynuclear aromatic hydrocarbons. Naphthalene was degraded between 26% and 40%, chrysene 14% and 16%, fluroanthene 5% and 7%; pyrene 8% and 13% by P. plecoglossicida strain PB1 and Pseudomonas sp. PB2 respectively. Based on their growth profile, we developed a model R(2)=1 to predict the degradation rate of slow polynuclear aromatic hydrocarbon-degraders where all the necessary parameters are constant. From this investigation, we confirm that the former industrial site soil microbial communities may be explored for the biorestoration of the industrial site. Copyright © 2016. Published by Elsevier Editora Ltda.

  11. Design, Synthesis, Structural and Spectroscopic Studies of Push-Pull Two-Photon Absorbing Chromophores with Acceptor Groups of Varying Strength

    Science.gov (United States)

    Morales, Alma R.; Frazer, Andrew; Woodward, Adam W.; Ahn-White, Hyo-Yang; Fonari, Alexandr; Tongwa, Paul; Timofeeva, Tatiana; Belfield, Kevin D.

    2013-01-01

    A new series of unsymmetrical diphenylaminofluorene-based chromophores with various strong π-electron acceptors were synthesized and fully characterized. The systematic alteration of the structural design facilitated the investigation of effects such as molecular symmetry and strength of electron-donating and/or withdrawing termini have on optical nonlinearity. In order to determine the electronic and geometrical properties of the novel compounds, a thorough investigation was carried out by a combination of linear and nonlinear spectroscopic techniques, single crystal X-ray diffraction, and quantum chemical calculations. Finally, on the basis of two-photon absorption (2PA) cross sections, the general trend for π -electron accepting ability, i.e., ability to accept charge transfer from diphenylamine was: 2-pyran-4-ylidene malononitrile (pyranone) > dicyanovinyl > bis(dicyanomethylidene)indane > 1-(thiophen-2-yl)propenone > dicyanoethylenyl > 3-(thiophen-2-yl)propenone. An analog with the 2-pyran-4-ylidene malononitrile acceptor group exhibited a nearly three-fold enhancement of the 2PA< δ (1650 GM at 840 nm), relative to other members of the series. PMID:23305555

  12. Mineral oil hydrocarbons in food - a review.

    Science.gov (United States)

    Grob, Koni

    2018-06-12

    Work on mineral oil hydrocarbons (MOH) contaminating food is reviewed up to about 2010, when the subject received broad publicity. It covers the period of the main discoveries and elimination or reduction of the dominant sources: release agents used in industrial bakeries, spraying of rice, additions to animal feed, contamination of edible oils from various sources and migration from paperboard packaging. In most cases highly refined ("white") oils were involved, but also technical oils, e.g. from the environment, and more or less crude oil fractions from jute and sisal bags. There were numerous unexpected sources, and there might still be more of those. The exposure of the consumers to MOH must have been markedly reduced in the meantime. Environmental influx may have become dominant, particularly when taking into account that these MOH go through several degradation processes which might enrich the species resisting metabolic elimination. Major gaps are in the systematic investigation of sources and the largely unavoidable levels from environmental contamination, but also in the toxicological evaluation of the various types of hydrocarbons. A regulation is overdue that avoids the present discrepancy between the low tolerance to MOH perceived as contaminants and the very high legal limits for some applications - the MOH are largely the same.

  13. Gas sealing efficiency of cap rocks. Pt. 1: Experimental investigations in pelitic sediment rocks. - Pt. 2: Geochemical investigations on redistribution of volatile hydrocarbons in the overburden of natural gas reservoirs; Gas sealing efficiency of cap rocks. T. 1: Experimentelle Untersuchungen in pelitischen Sedimentgesteinen. - T.2: Geochemische Untersuchungen zur Umverteilung leichtfluechtiger Kohlenwasserstoffe in den Deckschichten von Erdgaslagerstaetten. Abschlussbericht

    Energy Technology Data Exchange (ETDEWEB)

    Leythaeuser; Konstanty, J.; Pankalla, F.; Schwark, L.; Krooss, B.M.; Ehrlich, R.; Schloemer, S.

    1997-09-01

    New methods and concepts for the assessment of sealing properties of cap rocks above natural gas reservoirs and of the migration behaviour of low molecular-weight hydrocarbons in sedimentary basins were developed and tested. The experimental work comprised the systematic assesment of gas transport parameters on representative samples of pelitic rocks at elevated pressure and temperature conditions, and the characterization of their sealing efficiency as cap rocks overlying hydrocarbon accumulations. Geochemical case histories were carried out to analyse the distribution of low molecular-weight hydrocarbons in the overburden of known natural gas reservoirs in NW Germany. The results were interpreted with respect to the sealing efficiency of individual cap rock lithologies and the type and extent of gas losses. (orig.) [Deutsch] Zur Beurteilung der Abdichtungseigenschaften von Caprocks ueber Gaslagerstaetten und des Migrationsverhaltens niedrigmolekularer Kohlenwasserstoffe in Sedimentbecken wurden neue Methoden und Konzepte entwickelt und angewendet. In experimentellen Arbeiten erfolgte die systematische Bestimmung von Gas-Transportparametern an repraesentativen Proben pelitischer Gesteine unter erhoehten Druck- und Temperaturbedingungen und die Charakterisierung ihrer Abdichtungseffizienz als Deckschicht ueber Kohlenwasserstofflagerstaetten. In geochemischen Fallstudien wurde die Verteilung niedrigmolekularer Kohlenwasserstoffe in den Deckschichten ueber bekannten Erdgaslagerstaetten in NW-Deutschland analysiert und im Hinblick auf die Abdichtungseffizienz einzelner Caprock-Lithologien bzw. Art und Ausmass von Gasverlusten interpretiert. (orig.)

  14. Microbial production of gaseous hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Fukuda, Hideo

    1987-10-20

    Microbial production of ethylene, isobutane and a saturated gaseous hydrocarbon mixture was described. Microbial ethylene production was studied with Penicillium digitatum IFO 9372 and a novel pathway of the ethylene biosynthesis through alpha-ketoglutarate was proposed. Rhodotorula minuta IFO 1102 was selected for the microbial production of isobutane and the interesting actions of L-leucine and L-phenylalanine for the isobutane production were found. It was finally presented about the microbial production of a saturated gaseous hydrocarbon mixture with Rhizopus japonicus IFO 4758 was described. A gas mixture was produced through a chemical reaction of SH compounds and some cellular component such as squalene under aerobic conditions. (4 figs, 7 tabs, 41 refs)

  15. Scottish hydrocarbons: Borders and bounty

    International Nuclear Information System (INIS)

    Roberts, John

    1999-01-01

    On 6 May, the people of Scotland will vote for the country's first parliament in almost three centuries. One issue is expected to arouse particularly strong views: the question of North Sea oil and gas, and who benefits from its production and taxation. Most of these hydrocarbons lie in the northern half of the British Isles, but drawing boundaries to settle contentious issues such as oil and gas fields is not an easy task. And, if boundaries were to be drawn, then a scarcely less contentious subject arises: just how much cash might an independent Scotland expect to receive? Reading between the lines it's clear that in hard cash terms, were Scotland to be independent whilst still retaining the vast bulk of North Sea oilfields, depressed prices would ensure that hydrocarbon tax revenues would be unlikely to constitute a particularly impressive addition to the Scottish Treasury. (UK)

  16. 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.

  17. Conformational heterogeneity of the Pfr chromophore in plant and cyanobacterial phytochromes

    Directory of Open Access Journals (Sweden)

    Francisco eVelazquez Escobar

    2015-07-01

    Full Text Available Phytochromes are biological photoreceptors that can be reversibly photoconverted between a dark and photoactivated state. The underlying reaction sequences are initiated by the photoisomerisation of the tetrapyrrole cofactor, which in plant and cyanobacterial phytochromes are a phytochromobilin (PB and a phycocyanobilin (PCB, respectively. The transition between the two states represents an on/off-switch of the output module activating or deactivating downstream physiological processes. In addition, the photoactivated state, i.e. Pfr in canonical phytochromes, can be thermally reverted to the dark state (Pr. The present study aimed to improve our understanding of the specific reactivity of various PB- and PCB-binding phytochromes in the Pfr state by analyzing the cofactor structure by vibrational spectroscopic techniques. Resonance Raman (RR spectroscopy revealed two Pfr conformers (Pfr-I and Pfr-II forming a temperature-dependent conformational equilibrium. The two sub-states - found in all phytochromes studied, albeit with different relative contributions - differ in structural details of the C-D and A-B methine bridges. In the Pfr-I sub-state the torsion between the rings C and D is larger by ca. 10o compared to Pfr-II. This structural difference is presumably related to different hydrogen bonding interactions of ring D as revealed by time-resolved IR spectroscopic studies of the cyanobacterial phytochrome Cph1. The transitions between the two sub-states are evidently too fast (i.e., nanosecond time scale to be resolved by NMR spectroscopy which could not detect a structural heterogeneity of the chromophore in Pfr. The implications of the present findings for the dark reversion of the Pfr state are discussed.

  18. Distribution and spectral characteristics of chromophoric dissolved organic matter in a coastal bay in northern China.

    Science.gov (United States)

    Li, Guiju; Liu, Jing; Ma, Yulan; Zhao, Ruihua; Hu, Suzheng; Li, Yijie; Wei, Hao; Xie, Huixiang

    2014-08-01

    The absorption spectra of chromophoric dissolved organic matter (CDOM), along with general physical, chemical and biological variables, were determined in the Bohai Bay, China, in the springs of 2011 and 2012. The absorption coefficient of CDOM at 350 nm (a350) in surface water ranged from 1.00 to 1.83 m⁻¹ (mean: 1.35 m⁻¹) in May 2011 and from 0.78 to 1.92 m⁻¹ (mean: 1.19 m⁻¹) in April 2012. Little surface-bottom difference was observed due to strong vertical mixing. The a350 was weakly anti-correlated to salinity but positively correlated to chlorophyll a (Chl-a) concentration. A shoulder over 260-290 nm, suggestive of biogenic molecules, superimposed the overall pattern of exponentially decreasing CDOM absorption with wavelength. The wavelength distribution of the absorption spectral slope manifested a pronounced peak at ca. 300 nm characteristic of algal-derived CDOM. All a250/a365 ratios exceeded 6, corresponding to CDOM molecular weights (Mw) of less than 1 kDa. Spectroscopically, CDOM in the Bohai Bay differed substantively from that in the Haihe River, the bay's dominant source of land runoff; photobleaching of the riverine CDOM enlarged the difference. Results point to marine biological production being the principal source of CDOM in the Bohai Bay during the sampling seasons. Relatively low runoff, fast dilution, and selective photodegradation are postulated to be among the overarching elements responsible for the lack of terrigenous CDOM signature in the bay water. Copyright © 2014. Published by Elsevier B.V.

  19. 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.

  20. Characterization and spacial distribution variability of chromophoric dissolved organic matter (CDOM) in the Yangtze Estuary.

    Science.gov (United States)

    Wang, Ying; Zhang, Di; Shen, Zhenyao; Chen, Jing; Feng, Chenghong

    2014-01-01

    The spatial characteristics and the quantity and quality of the chromophoric dissolved organic matter (CDOM) in the Yangtze Estuary, based on the abundance, degree of humification and sources, were studied using 3D fluorescence excitation emission matrix spectra (F-EEMs) with parallel factor and principal component analysis (PARAFAC-PCA). The results indicated that the CDOM abundance decreased and the aromaticity increased from the upstream to the downstream areas of the estuary. Higher CDOM abundance and degrees of humification were observed in the pore water than that in the surface and bottom waters. Two humic-like components (C1 and C3) and one tryptophan-like component (C2) were identified using the PARAFAC model. The separation of the samples by PCA highlighted the differences in the DOM properties. Components C1 and C3 concurrently displayed positive factor 1 loadings with nearly zero factor 2 loadings, while C2 showed highly positive factor 2 loadings. The C1 and C3 were very similar and exhibited a direct relationship with A355 and DOC. The CDOM in the pore water increased along the river to the coastal area, which was mainly influenced by C1 and C3 and was significantly derived from sediment remineralization and deposition from the inflow of the Yangtze River. The CDOM in the surface and bottom waters was dominated by C2, especially in the inflows of multiple tributaries that were affected by intensive anthropogenic activities. The microbial degradation of exogenous wastes from the tributary inputs and shoreside discharges were dominant sources of the CDOM in the surface and bottom waters. Copyright © 2013 Elsevier Ltd. All rights reserved.

  1. Chromophoric Dissolved Organic Matter across a Marine Distributed Biological Observatory in the Pacific Arctic Region

    Science.gov (United States)

    Berman, S. L.; Frey, K. E.; Shake, K. L.; Cooper, L. W.; Grebmeier, J. M.

    2014-12-01

    Dissolved organic matter (DOM) plays an important role in marine ecosystems as both a carbon source for the microbial food web (and thus a source of CO2 to the atmosphere) and as a light inhibitor in marine environments. The presence of chromophoric dissolved organic matter (CDOM; the optically active portion of total DOM) can have significant controlling effects on transmittance of sunlight through the water column and therefore on primary production as well as the heat balance of the upper ocean. However, CDOM is also susceptible to photochemical degradation, which decreases the flux of solar radiation that is absorbed. Knowledge of the current spatial and temporal distribution of CDOM in marine environments is thus critical for understanding how ongoing and future changes in climate may impact these biological, biogeochemical, and physical processes. We describe the quantity and quality of CDOM along five key productive transects across a developing Distributed Biological Observatory (DBO) in the Pacific Arctic region. The samples were collected onboard the CCGS Sir Wilfred Laurier in July 2013 and 2014. Monitoring of the variability of CDOM along transects of high productivity can provide important insights into biological and biogeochemical cycling across the region. Our analyses include overall concentrations of CDOM, as well as proxy information such as molecular weight, lability, and source (i.e., autochthonous vs. allochthonous) of organic matter. We utilize these field observations to compare with satellite-derived CDOM concentrations determined from the Aqua MODIS satellite platform, which ultimately provides a spatially and temporally continuous synoptic view of CDOM concentrations throughout the region. Examining the current relationships among CDOM, sea ice variability, biological productivity, and biogeochemical cycling in the Pacific Arctic region will likely provide key insights for how ecosystems throughout the region will respond in future

  2. Experimental study of hydrocarbon mixtures to replace HFC-134a in a domestic refrigerator

    International Nuclear Information System (INIS)

    Wongwises, Somchai; Chimres, Nares

    2005-01-01

    This work presents an experimental study on the application of hydrocarbon mixtures to replace HFC-134a in a domestic refrigerator. The hydrocarbons investigated are propane (R290), butane (R600) and isobutane (R600a). A refrigerator designed to work with HFC-134a with a gross capacity of 239 l is used in the experiment. The consumed energy, compressor power and refrigerant temperature and pressure at the inlet and outlet of the compressor are recorded and analysed as well as the distributions of temperature at various positions in the refrigerator. The refrigerant mixtures used are divided into three groups: the mixture of three hydrocarbons, the mixture of two hydrocarbons and the mixture of two hydrocarbons and HFC-134a. The experiments are conducted with the refrigerants under the same no load condition at a surrounding temperature of 25 deg. C. The results show that propane/butane 60%/40% is the most appropriate alternative refrigerant to HFC-134a

  3. Remediation of hydrocarbons in crude oil-contaminated soils using Fenton's reagent.

    Science.gov (United States)

    Ojinnaka, Chukwunonye; Osuji, Leo; Achugasim, Ozioma

    2012-11-01

    Sandy soil samples spiked with Bonny light crude oil were subsequently treated with Fenton's reagent at acidic, neutral, and basic pH ranges. Oil extracts from these samples including an untreated one were analyzed 1 week later with a gas chromatograph to provide evidence of hydrocarbon depletion by the oxidant. The reduction of three broad hydrocarbon groups-total petroleum hydrocarbon (TPH); benzene, toluene, ethylbenzene, and xylene (BTEX); and polycyclic aromatic hydrocarbon (PAH) were investigated at various pHs. Hydrocarbon removal was efficient, with treatment at the acidic pH giving the highest removal of about 96% for PAH, 99% for BTEX, and some TPH components experiencing complete disappearance. The four-ringed PAHs were depleted more than their three-ringed counterparts at the studied pH ranges.

  4. The application of hydrocarbon refrigerant mixtures in a hermetic reciprocating compressor for high back pressure conditions

    Energy Technology Data Exchange (ETDEWEB)

    Kim, K.M.; Pak, H.Y. [Hanyang University, Seoul (Korea)

    1999-03-01

    The application of hydrocarbon refrigerant mixtures in a hermetic reciprocating compressor for dehumidifier is investigated. The selected refrigerants are R12, R134a, HC-Blend(R290/R600a), CX(R152a/R600a) and OS-12a. Both theoretical and experimental investigations have been performed for the selected refrigerants. The test results of hydrocarbon refrigerants have been compared to traditional refrigerant(R12) and R134a. The results show that hydrocarbon refrigerant mixtures(HC-Blend, CX and OS-12a) are very good alternatives in the refrigeration system for R12 and R134a. 11 refs., 3 fig., 12 tabs.

  5. Treatment of hydrocarbon oil vapours

    Energy Technology Data Exchange (ETDEWEB)

    Lamplough, F

    1923-03-01

    An apparatus for treating hydrocarbon vapors for the purpose of preventing dehydrogenation is disclosed which comprises in combination a cooling tower having a vapor inlet at the bottom and a vapor outlet at the top, means to direct the entering vapors laterally in a plurality of jets against an interior side wall or walls of the tower and means to constrain the condensate to gravitate down the tower in the interior wall or walls against which the encountering vapor is forced to impinge.

  6. Deep desulfurization of hydrocarbon fuels

    Science.gov (United States)

    Song, Chunshan [State College, PA; Ma, Xiaoliang [State College, PA; Sprague, Michael J [Calgary, CA; Subramani, Velu [State College, PA

    2012-04-17

    The invention relates to processes for reducing the sulfur content in hydrocarbon fuels such as gasoline, diesel fuel and jet fuel. The invention provides a method and materials for producing ultra low sulfur content transportation fuels for motor vehicles as well as for applications such as fuel cells. The materials and method of the invention may be used at ambient or elevated temperatures and at ambient or elevated pressures without the need for hydrogen.

  7. Characterization of cyanobacterial hydrocarbon composition and distribution of biosynthetic pathways.

    Directory of Open Access Journals (Sweden)

    R Cameron Coates

    Full Text Available Cyanobacteria possess the unique capacity to naturally produce hydrocarbons from fatty acids. Hydrocarbon compositions of thirty-two strains of cyanobacteria were characterized to reveal novel structural features and insights into hydrocarbon biosynthesis in cyanobacteria. This investigation revealed new double bond (2- and 3-heptadecene and methyl group positions (3-, 4- and 5-methylheptadecane for a variety of strains. Additionally, results from this study and literature reports indicate that hydrocarbon production is a universal phenomenon in cyanobacteria. All cyanobacteria possess the capacity to produce hydrocarbons from fatty acids yet not all accomplish this through the same metabolic pathway. One pathway comprises a two-step conversion of fatty acids first to fatty aldehydes and then alkanes that involves a fatty acyl ACP reductase (FAAR and aldehyde deformylating oxygenase (ADO. The second involves a polyketide synthase (PKS pathway that first elongates the acyl chain followed by decarboxylation to produce a terminal alkene (olefin synthase, OLS. Sixty-one strains possessing the FAAR/ADO pathway and twelve strains possessing the OLS pathway were newly identified through bioinformatic analyses. Strains possessing the OLS pathway formed a cohesive phylogenetic clade with the exception of three Moorea strains and Leptolyngbya sp. PCC 6406 which may have acquired the OLS pathway via horizontal gene transfer. Hydrocarbon pathways were identified in one-hundred-forty-two strains of cyanobacteria over a broad phylogenetic range and there were no instances where both the FAAR/ADO and the OLS pathways were found together in the same genome, suggesting an unknown selective pressure maintains one or the other pathway, but not both.

  8. A search for direct hydrocarbon indicators in the Formby area

    International Nuclear Information System (INIS)

    Busby, J.P.; Peart, R.J.; Green, C.A.; Ogilvy, R.D.; Williamson, J.P.

    1991-01-01

    It has been proposed that the high- frequency, low-amplitude magnetic anomalies found over some hydrocarbon deposits are due to long-term microseepage of hydrocarbons into iron-rich sedimentary roof rocks, with subsequent precipitation of diagenetic magnetite or pyrrhotite at or near the water-table. Aerogeophysical data sets, comprising both magnetic and gamma-ray spectrometer measurements, over the Formby, oil-field, Lancashire, U.K., have been analyzed for hydrocarbon-related anomalies. Detailed ground magnetic traverses were also made to investigate some of the aeromagnetic anomalies. No hydrocarbon-induced magnetic anomalies were detected. The majority of the high-frequency events occurring in the aeromagnetic data correlated with cultural features, others were attributed to artifacts of the data processing. In particular there were no extensive areas of high-frequency, low-amplitude anomalies as might be expected from authigenic magnetic minerals. Borehole chippings from inside and outside the oil-field were examined. Anomalies were found to be related to hydrological conditions and to the distribution of surficial deposits. Attempts to suppress the influence of the drift geology had only limited success. In this paper, it is concluded that the effectiveness of high-resolution aeromagnetic onshore surveys for direct hydrocarbon detection has yet to be established. In particular, the anomaly found over the Formby oil-field was caused by the cumulative effect of borehole casing. Similar cultural contamination by oil- field equipment may explain some of the anomalies discovered over hydrocarbon deposits in North America. It is also unlikely that the spectromagnetic method can be applied diagnostically in any but the most simple and drift-free geological environments

  9. Electron microscopy of hydrocarbon production in parthenium argentatum (guayule)

    Energy Technology Data Exchange (ETDEWEB)

    Bauer, Thomas E. [Univ. of California, Berkeley, CA (United States)

    1977-11-01

    The electron microscope was used to study the biological processes involved in hydrocarbon production. The little desert shrub Guayule (Parthenium argentatum) was selected for study. This shrub can produce hydrocarbons (rubber) in concentrations up to 1/4 of its dry weight. It grows on semi-arid land and has been extensively studied. The potential of Guayule is described in detail. Results of an investigation into the morphology of Guayule at the electron microscope level are given. Experiments, which would allow the biosynthesis of hydrocarbon in Guayule to be followed, were designed. In order to do this, knowledge of the biochemistry of rubber formation was used to select a tracer, mevalonic acid. Mevalonic acid is the precursor of all the terpenoids, a large class of hydrocarbons which includes rubber. It was found that when high enough concentrations of mevalonic acid are administered to seedling Guayule plants, build-ups of metabolized products are found within the chloroplasts of the seedlings. Also, tritium labeled mevalonic acid was used as a precursor, and its metabolic progress was followed by using the technique of electron microscope autoradiography. The results of these experiments also implicated chloroplasts of the Guayule plant in hydrocarbon production. The final task was the development of a system to produce three-dimensional stereo reconstructions of organelles suspected of involvement in hydrocarbon biosynthesis in Guayule. The techniques are designed to reconstruct an object from serial sections of that object. The techniques use stereo imaging both to abstract information for computer processing, and also in the computer produced reconstruction.

  10. Source rock hydrocarbons. Present status

    International Nuclear Information System (INIS)

    Vially, R.; Maisonnier, G.; Rouaud, T.

    2013-01-01

    This report first presents the characteristics of conventional oil and gas system, and the classification of liquid and gaseous non conventional hydrocarbons, with the peculiar case of coal-bed methane. The authors then describe how source rock hydrocarbons are produced: production of shale oils and gases (horizontal drilling, hydraulic fracturing, exploitation) and of coal-bed methane and coal mine methane. In the next part, they address and discuss the environmental impact of source rock hydrocarbon production: installation footprint, water resource management, drilling fluids, fracturing fluids composition, toxicity and recycling, air pollution, induced seismicity, pollutions from other exploitation and production activities. They propose an overview of the exploitation and production of source rock gas, coal-bed gas and other non conventional gases in the world. They describe the current development and discuss their economic impacts: world oil context and trends in the USA, in Canada and other countries, impacts on the North American market, on the world oil industry, on refining industries, on the world oil balance. They analyse the economic impacts of non conventional gases: development potential, stakes for the world gas trade, consequence for gas prices, development opportunities for oil companies and for the transport sector, impact on CO 2 emissions, macro-economic impact in the case of the USA

  11. Oxygen-containing coke species in zeolite-catalyzed conversion of methanol to hydrocarbons

    KAUST Repository

    Liu, Zhaohui; Dong, Xinglong; Liu, Xin; Han, Yu

    2016-01-01

    Zeolites are the most commonly used catalysts for methanol-to-hydrocarbon (MTH) conversion. Here, we identified two oxygen-containing compounds as coke species in zeolite catalysts after MTH reactions. We investigated the possible influences

  12. Multispecies and monoculture rhizoremediation of polycyclic aromatic hydrocarbons (PAHs) from the soil

    CSIR Research Space (South Africa)

    Maila, MP

    2005-01-01

    Full Text Available In this study, the authors investigated the potential of multispecies rhizoremediation and monoculture rhizoremediation in decontaminating polycyclic aromatic hydrocarbon (PAH) contaminated soil. Plant-mediated PAH dissipation was evaluated using...

  13. Determinants of the microbial community structure of eutrophic, hyporheic river sediments polluted with chlorinated aliphatic hydrocarbons

    NARCIS (Netherlands)

    Hamonts, K.; Ryngaert, A.; Smidt, H.; Springael, D.; Dejonghe, W.

    2014-01-01

    Chlorinated aliphatic hydrocarbons (CAHs) often discharge into rivers as contaminated groundwater baseflow. As biotransformation of CAHs in the impacted river sediments might be an effective remediation strategy, we investigated the determinants of the microbial community structure of eutrophic,

  14. Surface geochemical data evaluation and integration with geophysical observations for hydrocarbon prospecting, Tapti graben, Deccan Syneclise, India

    OpenAIRE

    Satish Kumar, T.; Dayal, A.M.; Sudarshan, V.

    2014-01-01

    The Deccan Syneclise is considered to have significant hydrocarbon potential. However, significant hydrocarbon discoveries, particularly for Mesozoic sequences, have not been established through conventional exploration due to the thick basalt cover over Mesozoic sedimentary rocks. In this study, near-surface geochemical data are used to understand the petroleum system and also investigate type of source for hydrocarbons generation of the study area. Soil samples were collected from favorable...

  15. Distinguishing natural hydrocarbons from anthropogenic contamination in ground water

    International Nuclear Information System (INIS)

    Lesage, S.; Xu, H.; Novakowski, K.S.

    1997-01-01

    Differentiation between natural and anthropogenic sources of ground-water contamination by petroleum hydrocarbons is necessary in areas where natural hydrocarbons may be present in the subsurface. Because of the similarity in composition between natural and refined petroleum, the use of statistical techniques to discern trends is required. In this study, both multivariate plotting techniques and principal component analysis were used to investigate the origin of hydrocarbons from a variety of study sites. Ground-water and gas samples were collected from the Niagara Falls area and from three gasoline stations where leaking underground storage tanks had been found. Although soil gas surveys are used to indicate the presence of hydrocarbons, they were not useful in differentiating between natural and anthropogenic sources of contamination in ground water. Propane and pentene were found to be the most useful chemical parameters in discriminating between the natural and anthropogenic sources. These chemicals are not usually measured in investigations of ground-water contamination, yet analysis can be conducted by most environmental laboratories using conventional methods

  16. Hydrocarbon Reserves: Abundance or Scarcity

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2005-07-01

    IFP and the OAPEC jointly organize a regular international seminar dealing with world oil-related problems appearing in the news. For the first time, this seminar has been opened to oil and gas company specialists, service companies, research centers and independents. This year's theme concerns oil and gas reserves: are they abundant or are we headed towards the shortages announced by some experts? This theme is especially topical in that: oil and gas currently meet two thirds of world energy needs and almost completely dominate the transport sector; the reserves declared by the OAPEC countries account for nearly half of world reserves; the price of a barrel of oil went through the roof in 2004; world energy demand is growing fast and alternative sources of energy are far from ready to take over from oil and gas in the next few decades. Since the reserves correspond to the volume it is technically and economically viable to produce, the seminar has, of course, dealt with the technical and economic questions that arise in connection with exploration and production, but it has also considered changes in the geopolitical context. Presentations by the leading companies of the OAPEC countries and by the IFP group were completed by presentation from the International Energy Agency (IEA), the United States Geological Survey (USGS), the IHS Energy Group, Total and Gaz de France. This document gathers the transparencies of the following presentations: Hydrocarbon reserves in OAPEC members countries: current and future (M. Al-Lababidi); Non OAPEC liquid reserves and production forecasts (Y. Mathieu); World oil and gas resources and production outlook (K. Chew); Global investments in the upstream (F. Birol); Total's policy in the oil and gas sector (C. de Margerie); Gaz de France's policy in the oil and gas sector (J. Abiteboul); NOC/IOC's opportunities in OPEC countries (I. Sandrea); Relationships between companies, countries and investors: How they may impact on the growth

  17. Hydrocarbon Reserves: Abundance or Scarcity

    International Nuclear Information System (INIS)

    2005-01-01

    IFP and the OAPEC jointly organize a regular international seminar dealing with world oil-related problems appearing in the news. For the first time, this seminar has been opened to oil and gas company specialists, service companies, research centers and independents. This year's theme concerns oil and gas reserves: are they abundant or are we headed towards the shortages announced by some experts? This theme is especially topical in that: oil and gas currently meet two thirds of world energy needs and almost completely dominate the transport sector; the reserves declared by the OAPEC countries account for nearly half of world reserves; the price of a barrel of oil went through the roof in 2004; world energy demand is growing fast and alternative sources of energy are far from ready to take over from oil and gas in the next few decades. Since the reserves correspond to the volume it is technically and economically viable to produce, the seminar has, of course, dealt with the technical and economic questions that arise in connection with exploration and production, but it has also considered changes in the geopolitical context. Presentations by the leading companies of the OAPEC countries and by the IFP group were completed by presentation from the International Energy Agency (IEA), the United States Geological Survey (USGS), the IHS Energy Group, Total and Gaz de France. This document gathers the transparencies of the following presentations: Hydrocarbon reserves in OAPEC members countries: current and future (M. Al-Lababidi); Non OAPEC liquid reserves and production forecasts (Y. Mathieu); World oil and gas resources and production outlook (K. Chew); Global investments in the upstream (F. Birol); Total's policy in the oil and gas sector (C. de Margerie); Gaz de France's policy in the oil and gas sector (J. Abiteboul); NOC/IOC's opportunities in OPEC countries (I. Sandrea); Relationships between companies, countries and investors: How they may impact on the growth

  18. Hydrocarbon Reserves: Abundance or Scarcity

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2005-07-01

    IFP and the OAPEC jointly organize a regular international seminar dealing with world oil-related problems appearing in the news. For the first time, this seminar has been opened to oil and gas company specialists, service companies, research centers and independents. This year's theme concerns oil and gas reserves: are they abundant or are we headed towards the shortages announced by some experts? This theme is especially topical in that: oil and gas currently meet two thirds of world energy needs and almost completely dominate the transport sector; the reserves declared by the OAPEC countries account for nearly half of world reserves; the price of a barrel of oil went through the roof in 2004; world energy demand is growing fast and alternative sources of energy are far from ready to take over from oil and gas in the next few decades. Since the reserves correspond to the volume it is technically and economically viable to produce, the seminar has, of course, dealt with the technical and economic questions that arise in connection with exploration and production, but it has also considered changes in the geopolitical context. Presentations by the leading companies of the OAPEC countries and by the IFP group were completed by presentation from the International Energy Agency (IEA), the United States Geological Survey (USGS), the IHS Energy Group, Total and Gaz de France. This document gathers the transparencies of the following presentations: Hydrocarbon reserves in OAPEC members countries: current and future (M. Al-Lababidi); Non OAPEC liquid reserves and production forecasts (Y. Mathieu); World oil and gas resources and production outlook (K. Chew); Global investments in the upstream (F. Birol); Total's policy in the oil and gas sector (C. de Margerie); Gaz de France's policy in the oil and gas sector (J. Abiteboul); NOC/IOC's opportunities in OPEC countries (I. Sandrea); Relationships between companies, countries and investors: How they may

  19. Second-order nonlinear optical properties of composite material of an azo-chromophore with a tricyanodiphenyl acceptor in a poly(styrene-co-methyl methacrylate) matrix

    Science.gov (United States)

    Shelkovnikov, Vladimir; Selivanova, Galina; Lyubas, Gleb; Korotaev, Sergey; Shundrina, Inna; Tretyakov, Evgeny; Zueva, Ekaterina; Plekhanov, Alexander; Mikerin, Sergey; Simanchuk, Andrey

    2017-07-01

    The composite material of new synthesized 4-((4-(N,N-n-dibutylamino) phenyl)diazenyl)-biphenyl-2,3,4-tricarbonitrile (GAS dye) in commercial poly(styrene-co-methyl methacrylate) (PSMMA) was prepared, poled and its nonlinear optical properties compared with DR1 dye were studied. High thermal stability of the composite material was revealed, and the maximal concentration of the chromophore was found to reach ∼20 wt%. The dipole moment, polarizability tensor, and first hyperpolarizability tensor of the investigated dyes were calculated by within the framework of the coupled perturbed density functional theory. A nanosecond second-harmonic generation Maker fringes technique was used which is capable of providing the magnitude of the second-order nonlinearity of optical materials at a wavelength of 1064 nm. For the tested GAS-PSMMA composite material, maximal coefficient d33 was found to be 50 pm/V. The nonlinear optical response, which was achieved here, shows possible usefulness of the GAS dye as a component for molecular design of nonlinear-optical materials with advanced characteristics.

  20. Modeling of Antenna for Deep Target Hydrocarbon Exploration

    Directory of Open Access Journals (Sweden)

    Nadeem Nasir

    2017-11-01

    Full Text Available Nowadays control source electromagnetic method is used for offshore hydrocarbon exploration. Hydrocarbon detection in sea bed logging (SBL is a very challenging task for deep target hydrocarbon reservoir. Response of electromagnetic (EM field from marine environment is very low and it is very difficult to predict deep target reservoir below 2km from the sea floor. This work premise deals with modeling of new antenna for deep water deep target hydrocarbon exploration. Conventional and new EM antennas at 0.125Hz frequency are used in modeling for the detection of deep target hydrocarbon  reservoir.  The  proposed  area  of  the  seabed model   (40km ´ 40km   was   simulated   by using CST (computer simulation technology EM studio based on Finite Integration Method (FIM. Electromagnetic field components were compared at 500m target depth and it was concluded that Ex and Hz components shows better resistivity contrast. Comparison of conventional and new antenna for different target  depths  was  done in  our  proposed  model.  From  the results, it was observed that conventional antenna at 0.125Hz shows 70% ,86% resistivity contrast at target depth of 1000m where   as   new   antenna   showed   329%, 355%   resistivity contrast at the same target depth for Ex and Hz field respectively.  It  was  also  investigated  that  at  frequency of0.125Hz, new antenna gave 46% better delineation of hydrocarbon at 4000m target depth. This is due to focusing of electromagnetic waves by using new antenna. New antenna design gave 125% more extra depth than straight antenna for deep target hydrocarbon detection. Numerical modeling for straight  and  new antenna  was also done to know general equation for electromagnetic field behavior with target depth. From this numerical model it was speculated that this new antenna can detect up to 4.5 km target depth. This new EM antenna may open new frontiers for oil and gas

  1. Methane and Benzene in Drinking-Water Wells Overlying the Eagle Ford, Fayetteville, and Haynesville Shale Hydrocarbon Production Areas.

    Science.gov (United States)

    McMahon, Peter B; Barlow, Jeannie R B; Engle, Mark A; Belitz, Kenneth; Ging, Patricia B; Hunt, Andrew G; Jurgens, Bryant C; Kharaka, Yousif K; Tollett, Roland W; Kresse, Timothy M

    2017-06-20

    Water wells (n = 116) overlying the Eagle Ford, Fayetteville, and Haynesville Shale hydrocarbon production areas were sampled for chemical, isotopic, and groundwater-age tracers to investigate the occurrence and sources of selected hydrocarbons in groundwater. Methane isotopes and hydrocarbon gas compositions indicate most of the methane in the wells was biogenic and produced by the CO 2 reduction pathway, not from thermogenic shale gas. Two samples contained methane from the fermentation pathway that could be associated with hydrocarbon degradation based on their co-occurrence with hydrocarbons such as ethylbenzene and butane. Benzene was detected at low concentrations (2500 years, indicating the benzene was from subsurface sources such as natural hydrocarbon migration or leaking hydrocarbon wells. One sample contained benzene that could be from a surface release associated with hydrocarbon production activities based on its age (10 ± 2.4 years) and proximity to hydrocarbon wells. Groundwater travel times inferred from the age-data indicate decades or longer may be needed to fully assess the effects of potential subsurface and surface releases of hydrocarbons on the wells.

  2. Experimental Investigation of the Effect of the Excess Fuel Coefficient on the Electrical Conductivity of Potassium-Seeded Hydrocarbon Fuel Combustion Products; 042d 041a 0421 041f 0414

    Energy Technology Data Exchange (ETDEWEB)

    Gol' denberg, S. A.; Zimin, Je. P.; Levlev, V. N.; Popov, V. A. [Energeticheskij Institut Im. G.M.Krzhizhanovskogo, Moskva, USSR (Russian Federation)

    1968-11-15

    An experimental study was carried out on the relation between ionization of the potassium seed and the composition of the combustion products of two hydrocarbon fuels, methane and benzine. The composition of the combustion products could be varied by changing the excess fuel coefficient for the combustion mixture. Measurements were carried out at various fixed temperatures in the range 1850-3000 Degree-Sign K (total pressure 1 atm). The temperature was kept constant (by diluting the combustion products with nitrogen). The experimental data obtained for the conductivity correspond to a potassium seed partial pressure of 1%. In the high temperature range (with benzine as fuel) measurements were carried out directly with 1% seeding, while at low temperatures (with methane as fuel) measurements were carried out for 3 x 10{sup -2}% seeding and the results extrapolated to 1% seeding. Resonance circuit and radiowave ({lambda} = 0.8 cm) damping methods were adopted in making the measurements. The temperature of the combustion products was measured by sodium D-line reversal. The measurements showed that the electrical conductivity of the combustion products with potassium seeding decreases as the excess fuel coefficient is reduced. At higher excess fuel coefficients this decrease is only slight. A sharp decrease in the electrical conductivity (several times) occurs for excess fuel coefficients in the range 1 to 1.7. In interpreting the experimental data, use was made of the results of a theoretical calculation of the effect of the hydroxyl radical on the ionization of the potassium seed (formation of KOH) and on the conductivity (capture of some free electrons to obtain OH{sup -}). The comparison showed good qualitative agreement between the experimental and calculated data, confirming the applicability of the mechanism proposed for gauging the effect of combustion product composition on seed ionization. (author) [Russian] Provedeno jeksperimental'noe issledovanie

  3. The Major Chromophore Arising from Glucose Degradation and Oxidative Stress Occurrence during Lens Proteins Glycation Induced by Glucose

    Directory of Open Access Journals (Sweden)

    Felipe Ávila

    2017-12-01

    Full Text Available Glucose autoxidation has been proposed as a key reaction associated with deleterious effects induced by hyperglycemia in the eye lens. Little is known about chromophores generated during glucose autoxidation. In this study, we analyzed the effect of oxidative and dicarbonyl stress in the generation of a major chromophore arising from glucose degradation (GDC and its association with oxidative damage in lens proteins. Glucose (5 mM was incubated with H2O2 (0.5–5 mM, Cu2+ (5–50 μM, glyoxal (0.5–5 mM or methylglyoxal (0.5–5 mM at pH 7.4, 5% O2, 37 °C, from 0 to 30 days. GDC concentration increased with incubation time, as well as when incubated in the presence of H2O2 and/or Cu2+, which were effective even at the lowest concentrations. Dicarbonylic compounds did not increase the levels of GDC during incubations. 1H, 13C and FT-IR spectra from the purified fraction containing the chromophore (detected by UV/vis spectroscopy showed oxidation products of glucose, including gluconic acid. Lens proteins solutions (10 mg/mL incubated with glucose (30 mM presented increased levels of carboxymethyl-lysine and hydrogen peroxide that were associated with GDC increase. Our results suggest a possible use of GDC as a marker of autoxidative reactions occurring during lens proteins glycation induced by glucose.

  4. Acceptor number-dependent ultrafast photo-physical properties of push-pull chromophores using time-resolved methods

    Science.gov (United States)

    Chi, Xiao-Chun; Wang, Ying-Hui; Gao, Yu; Sui, Ning; Zhang, Li-Quan; Wang, Wen-Yan; Lu, Ran; Ji, Wen-Yu; Yang, Yan-Qiang; Zhang, Han-Zhuang

    2018-04-01

    Three push-pull chromophores comprising a triphenylamine (TPA) as electron-donating moiety and functionalized β-diketones as electron acceptor units are studied by various spectroscopic techniques. The time-correlated single-photon counting data shows that increasing the number of electron acceptor units accelerates photoluminescence relaxation rate of compounds. Transient spectra data shows that intramolecular charge transfer (ICT) takes place from TPA units to β-diketones units after photo-excitation. Increasing the number of electron acceptor units would prolong the generation process of ICT state, and accelerate the excited molecule reorganization process and the relaxation process of ICT state.

  5. Ethyne-linked push-pull chromophores: implications of crystal structure and molecular electronics on the quadric nonlinear activity

    Czech Academy of Sciences Publication Activity Database

    Kautny, P.; Kriegner, H.; Bader, D.; Dušek, Michal; Reider, G.A.; Froehlich, J.; Stoeger, B.

    2017-01-01

    Roč. 17, č. 8 (2017), s. 4124-4136 ISSN 1528-7483 R&D Projects: GA ČR(CZ) GA15-12653S; GA MŠk LO1603 EU Projects: European Commission(XE) CZ.2.16/3.1.00/24510 Institutional support: RVO:68378271 Keywords : ethyne-linked materials * nonlinear optical chromophores * molecular structure * optical activity Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 4.055, year: 2016

  6. Chiral 1,2- and 1,3-diol-functionalized chromophores as Lego building blocks for coupled structures.

    Science.gov (United States)

    Spange, Stefan; Hofmann, Katja; Walfort, Bernhard; Rüffer, Tobias; Lang, Heinrich

    2005-10-14

    Chiral nitroanilines containing 1,2- or 1,3-diol functionalities have been synthesized by nucleophilic aromatic substitution of fluoronitroanilines with 1-aminopropane-2,3-diols and 2-aminopropane-1,3-diol in the melt. X-ray structure analyses confirm retention of the configuration of the chiral center. The novel chromophores are suitable to link reversibly to various substituted arylboronic acids which allows the construction of new solvatochromic sensor molecules suitable to response to solvent and anion coordination by fluoride. The solvatochromism of the new compounds has been studied using the Kamlet-Taft LSE relationship.

  7. Aliphatic and polycyclic aromatic hydrocarbons in Gulf of Trieste sediments (northern Adriatic): potential impacts of maritime traffic.

    Science.gov (United States)

    Bajt, Oliver

    2014-09-01

    The Gulf of Trieste (northern Adriatic) is one of the most urbanized and industrialized areas in the northern Adriatic, with intense maritime traffic experienced at multiple ports. The impact of maritime traffic on contamination by hydrocarbons in this area was assessed. Concentrations of hydrocarbons were higher near the expected contamination sources and still elevated in the adjacent offshore areas. Aliphatic hydrocarbons were mainly of petrogenic origin, with some contribution of biogenic origin. A continuous contamination by aliphatic hydrocarbons and degradation processes were hypothesized. Concentrations of total polycyclic aromatic hydrocarbons (PAH) were generally greater near the contamination sources. Compared to the prevailing pyrolytic origin, the petrogenic PAH origin seemed to be less important, but not negligible. Results revealed that intensive maritime traffic is a probable source of contamination by hydrocarbons in the investigated area, which is largely limited to areas near the contamination sources.

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

    Science.gov (United States)

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

    2015-09-01

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

  9. Detection of hydrocarbons in irradiated foods

    International Nuclear Information System (INIS)

    Miyahara, Makoto; Maitani, Tamio; Saito, Akiko; Kamimura, Tomomi; Nagasawa, Taeko; Kobayashi, Yasuo; Ito, Hitoshi

    2003-01-01

    The hydrocarbon method for the detection of irradiated foods is now recognized as the international technique. This method is based on radiolysis of fatty acids in food to give hydrocarbons. In order to expand this technique's application, ten foods (butter, cheese, chicken, pork, beef, tuna, dry shrimp, avocado, papaya, and mango) were irradiated in the range from 0.5 to 10 kGy and the hydrocarbons in them were detected. Recoveries of the hydrocarbons from most foods were acceptable (38-128%). Some hydrocarbons were found in non-irradiated foods, particularly, in butter, cheese, tuna, and shrimp. Seven irradiated foods, butter, cheese, chicken, beef, pork, tuna, dry shrimp, and avocado were detectable at their practical doses by measuring the appropriate marker hydrocarbons. In most case, marker hydrocarbon will be 1,7-hexadecadiene. However, the marker hydrocarbons produced only in irradiated foods varied from food to food; therefore, it is necessary to check a specific irradiated food for marker hydrocarbons. On the other hand, two irradiated foods (papaya and mango which were irradiated at their practical doses) were difficult to distinguish from non-irradiated foods using this method. (author)

  10. Detection of hydrocarbons in irradiated foods

    Energy Technology Data Exchange (ETDEWEB)

    Miyahara, Makoto; Maitani, Tamio [National Inst. of Health Sciences, Tokyo (Japan); Saito, Akiko; Kamimura, Tomomi; Nagasawa, Taeko [Kitasato Univ., Sagamihara, Kanagawa (Japan). School of Allied Health Sciences; Kobayashi, Yasuo; Ito, Hitoshi [Japan Atomic Energy Research Inst., Takasaki, Gunma (Japan). Takasaki Radiation Establishment

    2003-06-01

    The hydrocarbon method for the detection of irradiated foods is now recognized as the international technique. This method is based on radiolysis of fatty acids in food to give hydrocarbons. In order to expand this technique's application, ten foods (butter, cheese, chicken, pork, beef, tuna, dry shrimp, avocado, papaya, and mango) were irradiated in the range from 0.5 to 10 kGy and the hydrocarbons in them were detected. Recoveries of the hydrocarbons from most foods were acceptable (38-128%). Some hydrocarbons were found in non-irradiated foods, particularly, in butter, cheese, tuna, and shrimp. Seven irradiated foods, butter, cheese, chicken, beef, pork, tuna, dry shrimp, and avocado were detectable at their practical doses by measuring the appropriate marker hydrocarbons. In most case, marker hydrocarbon will be 1,7-hexadecadiene. However, the marker hydrocarbons produced only in irradiated foods varied from food to food; therefore, it is necessary to check a specific irradiated food for marker hydrocarbons. On the other hand, two irradiated foods (papaya and mango which were irradiated at their practical doses) were difficult to distinguish from non-irradiated foods using this method. (author)

  11. Hydrocarbon-degrading sulfate-reducing bacteria in marine hydrocarbon seep sediments

    OpenAIRE

    Kleindienst, Sara

    2012-01-01

    Microorganisms are key players in our biosphere because of their ability to degrade various organic compounds including a wide range of hydrocarbons. At marine hydrocarbon seeps, more than 90% of sulfate reduction (SR) is potentially coupled to non-methane hydrocarbon oxidation. Several hydrocarbon-degrading sulfate-reducing bacteria (SRB) were enriched or isolated from marine sediments. However, in situ active SRB remained largely unknown. In the present thesis, the global distribution and a...

  12. Assessment of polycyclic aromatic hydrocarbons (PAHs) pollution in soil of suburban areas in Tianjin, China.

    Science.gov (United States)

    Lv, Jungang; Shi, Rongguang; Cai, Yanming; Liu, Yong

    2010-07-01

    Soil contamination with polycyclic aromatic hydrocarbons is an increasing problem and has aroused more and more concern in many countries, including China. In this study, representative soil samples (n = 87) of suburban areas in Tianjin (Xiqing, Dongli, Jinnan, Beichen) were evaluated for 16 polycyclic aromatic hydrocarbons. Surface soil samples were air-dried and sieved. Microwave assisted extraction was used for polycyclic aromatic hydrocarbons preparation prior to analysis with gas chromatography-mass spectrometry. The total concentrations of tested polycyclic aromatic hydrocarbons in Xiqing, Dongli, Jinnan, Beichen ranged in 58.5-2,748.3, 36.1-6,734.7, 58.5-4,502.5, 29.7-852.5 ng/g and the averages of total concentration of polycyclic aromatic hydrocarbons were 600.5, 933.6, 640.8, 257.3 ng/g, respectively. Spatial variation of polycyclic aromatic hydrocarbons in soil was illustrated; Pollution status and comparison to other cities were also investigated. Serious polycyclic aromatic hydrocarbons soil pollution was found in Dongli district, on the contrary, Bap in most sites in Beichen did not exceed relative standards and most sites in Beichen should be classified as non-contaminated soil. Principal component analysis was used to identify the possible sources of different districts. It turned out that coal combustion still was the most important sources in three districts except Beichen. Coking, traffic, cooking, biomass combustion also accounted for polycyclic aromatic hydrocarbons pollution to certain extent in different districts. These data can be further used to assess the health risk associated with soils polluted with polycyclic aromatic hydrocarbons and help local government find proper way to reduce polycyclic aromatic hydrocarbons pollution in soils.

  13. Hydrocarbons and energy from plants: Final report, 1984-1987

    Energy Technology Data Exchange (ETDEWEB)

    Calvin, M.; Otvos, J.; Taylor, S.E.; Nemethy, E.K.; Skrukrud, C.L.; Hawkins, D.R.; Lago, R.

    1988-08-01

    Plant hydrocarbon (isoprenoid) production was investigated as an alternative source to fossil fuels. Because of their high triterpenoid (hydrocarbon) content of 4--8%, Euphorbia lathyris plants were used as a model system for this study. The structure of the E. lathyris triterpenoids was determined, and triterpenoid biosynthesis studied to better understand the metabolic regulation of isoprenoid production. Triterpenoid biosynthesis occurs in two distinct tissue types in E. lathyris plants: in the latex of the laticifer cells; and in the mesophyll cells of the leaf and stem. The latex has been fractionated by centrifugation, and it has been determined that the later steps of isoprenoid biosynthesis, the conversion of mevalonic acid to the triterpenes, are compartmentized within a vacuole. Also identified was the conversion of hydroxymethyl glutaryl-CoA to mevalonic acid, catalyzed by the enzyme Hydroxymethyl glutaryl-CoA Reductase, as a key rate limiting step in isoprenoid biosynthesis. At least two isozymes of this enzyme, one in the latex and another in the leaf plastids, have been identified. Environmental stress has been applied to plants to study changes in carbon allocation. Salinity stress caused a large decrease in growth, smaller decreases in photosynthesis, resulting in a larger allocation of carbon to both hydrocarbon and sugar production. An increase in Hydroxymethyl glutaryl-CoA Reductase activity was also observed when isoprenoid production increased. Other species where also screened for the production of hydrogen rich products such as isoprenoids and glycerides, and their hydrocarbon composition was determined.

  14. Bioremediation of petroleum hydrocarbons in soil: Activated sludge treatability study

    International Nuclear Information System (INIS)

    Rue-Van Es, J.E. La.

    1993-05-01

    Batch activated sludge treatability studies utilizing petroleum hydrocarbon contaminated soils (diesel oil and leaded gasoline) were conducted to determine: initial indigenous biological activity in hydrocarbon-contaminated soils; limiting factors of microbiological growth by investigating nutrient addition, chemical emulsifiers, and co-substrate; acclimation of indigenous population of microorganisms to utilize hydrocarbons as sole carbon source; and temperature effects. Soil samples were taken from three different contaminated sites and sequencing batch reactors were run. Substrate (diesel fuel) and nutrient were added as determined by laboratory analysis of orthophosphate, ammonia nitrogen, chemical oxygen demand, and total organic carbon. Substrate was made available to the bacterial mass by experimenting with four different chemical emulsifiers. Indigenous microorganisms capable of biotransforming hydrocarbons seem to be present in all the contaminated soil samples received from all sites. Microscopic analysis revealed no visible activity at the beginning of the study and presence of flagellated protozoa, paramecium, rotifers, and nematodes at the end of the year. Nutrient requirements and the limiting factors in microorganism growth were determined for each site. An emulsifier was initially necessary to make the substrate available to the microbial population. Decreases in removal were found with lowered temperature. Removal efficiencies ranged from 50-90%. 95 refs., 11 figs., 13 tabs

  15. Natural and anthropogenic hydrocarbons in the White sea ecosystem

    International Nuclear Information System (INIS)

    Nemirovskaya, I.; Shevchenko, V.; Bogunov, A.

    2006-01-01

    An investigation of aliphatic hydrocarbons (AHC) and polycyclic aromatic hydrocarbons (PAH) concentrations in the White Sea was presented. The study was conducted to determine natural and anthropogenic hydrocarbon (HC) concentrations in order to aid in future zoning plans. Hydrocarbons were extracted from samples of aerosols, ice, water, particulate matter, phyto- and zooplankton, and bottom sediments. Results of the study suggested that HC concentrations in aerosols above the White Sea were lower than in marine aerosols above the southeastern Atlantic and lower than Alkane concentrations in aerosols in the Mediterranean Sea. A study of PAH behaviour in Northern Dvina estuaries showed that the submicron fractions contained light polyarenes. Particulate matter collected in sedimentation traps was enriched in phenanthrene, fluoranthene, and pyrene. Aliphatic HC enrichment was due to the presence of phytoplankton and other microorganisms. Between 54 per cent and 85 per cent of initial organic matter was consumed during diagenesis in the bottom sediments, indicating a high rate of HC transformation. It was suggested that the majority of oil HC transported with river water is precipitated. Fluoranthene was the dominant PAH in the study, and was assumed to be caused by natural transformation of PAH composition during distant atmospheric transport. Pyrogenic contamination of the bottom sediments was attributed to an aluminium plant. It was concluded that the detection of significant amounts of HC is not direct evidence of their anthropogenic origins. 31 refs., 3 tabs., 7 figs

  16. Bioremediation of petroleum hydrocarbons in soil: Activated sludge treatability study

    Energy Technology Data Exchange (ETDEWEB)

    Rue-Van Es, J.E. La.

    1993-05-01

    Batch activated sludge treatability studies utilizing petroleum hydrocarbon contaminated soils (diesel oil and leaded gasoline) were conducted to determine: initial indigenous biological activity in hydrocarbon-contaminated soils; limiting factors of microbiological growth by investigating nutrient addition, chemical emulsifiers, and co-substrate; acclimation of indigenous population of microorganisms to utilize hydrocarbons as sole carbon source; and temperature effects. Soil samples were taken from three different contaminated sites and sequencing batch reactors were run. Substrate (diesel fuel) and nutrient were added as determined by laboratory analysis of orthophosphate, ammonia nitrogen, chemical oxygen demand, and total organic carbon. Substrate was made available to the bacterial mass by experimenting with four different chemical emulsifiers. Indigenous microorganisms capable of biotransforming hydrocarbons seem to be present in all the contaminated soil samples received from all sites. Microscopic analysis revealed no visible activity at the beginning of the study and presence of flagellated protozoa, paramecium, rotifers, and nematodes at the end of the year. Nutrient requirements and the limiting factors in microorganism growth were determined for each site. An emulsifier was initially necessary to make the substrate available to the microbial population. Decreases in removal were found with lowered temperature. Removal efficiencies ranged from 50-90%. 95 refs., 11 figs., 13 tabs.

  17. Insights into hydrocarbon formation by nitrogenase cofactor homologs.

    Science.gov (United States)

    Lee, Chi Chung; Hu, Yilin; Ribbe, Markus W

    2015-04-14

    The L-cluster is an all-iron homolog of nitrogenase cofactors. Driven by europium(II) diethylenetriaminepentaacetate [Eu(II)-DTPA], the isolated L-cluster is capable of ATP-independent reduction of CO and CN(-) to C1 to C4 and C1 to C6 hydrocarbons, respectively. Compared to its cofactor homologs, the L-cluster generates considerably more CH4 from the reduction of CO and CN(-), which could be explained by the presence of a "free" Fe atom that is "unmasked" by homocitrate as an additional site for methanation. Moreover, the elevated CH4 formation is accompanied by a decrease in the amount of longer hydrocarbons and/or the lengths of the hydrocarbon products, illustrating a competition between CH4 formation/release and C-C coupling/chain extension. These observations suggest the possibility of designing simpler synthetic clusters for hydrocarbon formation while establishing the L-cluster as a platform for mechanistic investigations of CO and CN(-) reduction without complications originating from the heterometal and homocitrate components. Nitrogenase is a metalloenzyme that is highly complex in structure and uniquely versatile in function. It catalyzes two reactions that parallel two important industrial processes: the reduction of nitrogen to ammonia, which parallels the Haber-Bosch process in ammonia production, and the reduction of carbon monoxide to hydrocarbons, which parallels the Fischer-Tropsch process in fuel production. Thus, the significance of nitrogenase can be appreciated from the perspective of the useful products it generates: (i) ammonia, the "fixed" nitrogen that is essential for the existence of the entire human population; and (ii) hydrocarbons, the "recycled" carbon fuel that could be used to directly address the worldwide energy shortage. This article provides initial insights into the catalytic characteristics of various nitrogenase cofactors in hydrocarbon formation. The reported assay system provides a useful tool for mechanistic

  18. Halogenated hydrocarbons - an environmental problem

    Energy Technology Data Exchange (ETDEWEB)

    Schoeler, H F; Thofern, E

    1984-01-01

    The paper provides a survey of the incidence of highly volatile halogenated hydrocarbons in ground, surface and drinking water as well as in the snows of Western Germany. Almost the entire production of chlorinated solvents is released into the environment. The absorption media are mostly soil, water and atmosphere. Whereas in the atmosphere elimination reactions take place, solvents that have passed the soil get into the ground water owing to their persistence and can cause considerable pollutions of drinking water. Moreover haloforms may occur in drinking water, which are produced during chlorine disinfection of pre-treated water.

  19. Catalytic treatment of hydrocarbon oils

    Energy Technology Data Exchange (ETDEWEB)

    1940-02-23

    A process is described for increasing the octane number of a hydrocarbon oil. The substance is subjected under pressure to a temperature between 800 and 1100/sup 0/C. Catalysts include metal compounds of Groups IV, V, Vi, or VIII (Group VI is perferred). Experiments are performed under a hydrogen atmosphere. Reaction time, temperature, pressure, and partial pressure of the hydrogen are adjusted so that there will be no net hydrogen consumption. The reaction gases (including the products) are recycled in whole or in part to supply the hydrogen gas required.

  20. Catalytic cracking of hydrocarbon oils

    Energy Technology Data Exchange (ETDEWEB)

    1940-09-12

    A process is described for the vapor phase catalytic cracking of hydrocarbon oils boiling substantially in the gas oil range. The reaction takes place in the presence of a solid catalyst between 700 to 900/sup 0/F under pressure between atmospheric and 400 psi. A gas containing between 20 and 90 mol % of free hydrogen is used. The reaction is allowed to proceed until consumption of the free begins. The reaction is discontinued at that point and the catalyst is regenerated for further use.

  1. Performance of a Throttle Cycle Refrigerator with Nitrogen-Hydrocarbon and Argon-Hydrocarbon Mixtures

    Science.gov (United States)

    Venkatarathnam, G.; Senthil Kumar, P.; Srinivasa Murthy, S.

    2004-06-01

    Throttle cycle refrigerators are a class of vapor compression refrigerators that can provide refrigeration at cryogenic temperatures and operate with refrigerant mixtures. The performance of our prototype refrigerators with nitrogen-hydrocarbon, nitrogen-hydrocarbon-helium and argon-hydrocarbon refrigerant mixtures is presented in this paper.

  2. Model Titan atmospheric hydrocarbon analysis by Ion Mobility Spectrometry in dry helium

    International Nuclear Information System (INIS)

    Kojiro, D.R.; Stimac, R.M.; Wernlund, R.F.; Cohen, M.J.

    1990-01-01

    Ion Mobility Spectrometry (IMS) is one analytical technique being investigated for the in situ analysis of the atmosphere of Titan. Any hydrocarbon ions that may form react immediately, in microseconds, with the high concentration of water vapor normally present in conventional IMS. By reducing the water concentration to the parts-per-billion range, the lifetime of the hydrocarbon ions may be increased to the milliseconds required for measurement. At low water level concentrations, other species may become the reactant ion. This study focuses on IMS analysis of expected Titan atmospheric hydrocarbons under very dry, low water concentration conditions

  3. Correlation between mandibular gland secretion and cuticular hydrocarbons in the stingless bee Melipona quadrifasciata.

    Science.gov (United States)

    Cruz-Landim, C; Ferreira-Caliman, M J; Gracioli-Vitti, L F; Zucchi, R

    2012-04-19

    We investigated whether Melipona quadrifasciata worker mandibular gland secretions contribute directly to their cuticular hydrocarbon profile. The mandibular gland secretion composition and cuticular surface compounds of newly emerged worker bees, nurse bees, and foragers were determined by gas chromatography and mass spectrometry and compared. Both the mandibular gland secretions and the cuticular surface compounds of all worker stages were found to be composed almost exclusively of hydrocarbons. Although the relative proportion of hydrocarbons from the cuticular surface and gland secretion was statistically different, there was a high similarity in the qualitative composition between these structures in all groups of bees.

  4. Isoprenoid hydrocarbons produced by thermal alteration of Nostoc muscorum and Rhodopseudomonas spheroides

    Science.gov (United States)

    Philp, R. P.; Brown, S.; Calvin, M.

    1978-01-01

    The potential of algae and photosynthetic bacteria to serve as precursors of kerogen was studied to determine what factors affect the relative rates of formation of precursor hydrocarbons. Cells of Nostoc muscorum and Rhodopseudomonas spheroides were subjected to thermal alteration (by heating samples in glass tubes sealed under nitrogen) for two, four, and twelve weeks. Both unextracted and extracted cells in the absence and presence of montmorillonite were investigated, and the isoprenoid hydrocarbons produced in these experiments were determined. Phytane and five isomeric phytenes were the main hydrocarbons observed; their relative rates of formation in the different experimental conditions are described. No phytadienes, pristane, or pristenes were detected.

  5. Hydrocarbon migration and accumulation in the Upper Cretaceous Qingshankou Formation, Changling Sag, southern Songliao Basin: Insights from integrated analyses of fluid inclusion, oil source correlation and basin modelling

    Science.gov (United States)

    Dong, Tian; He, Sheng; Wang, Dexi; Hou, Yuguang

    2014-08-01

    The Upper Cretaceous Qingshankou Formation acts as both the source and reservoir sequence in the Changling Sag, situated in the southern end of the Songliao Basin, northeast China. An integrated approach involving determination of hydrocarbon charging history, oil source correlation and hydrocarbon generation dynamic modeling was used to investigate hydrocarbon migration processes and further predict the favorable targets of hydrocarbon accumulations in the Qingshankou Formation. The hydrocarbon generation and charge history was investigated using fluid inclusion analysis, in combination with stratigraphic burial and thermal modeling. The source rocks began to generate hydrocarbons at around 82 Ma and the hydrocarbon charge event occurred from approximately 78 Ma to the end of Cretaceous (65.5 Ma) when a large tectonic uplift took place. Correlation of stable carbon isotopes of oils and extracts of source rocks indicates that oil was generated mainly from the first member of Qingshankou Formation (K2qn1), suggesting that hydrocarbon may have migrated vertically. Three dimensional (3D) petroleum system modeling was used to evaluate the processes of secondary hydrocarbon migration in the Qingshankou Formation since the latest Cretaceous. During the Late Cretaceous, hydrocarbon, mainly originated from the Qianan depression, migrated laterally to adjacent structural highs. Subsequent tectonic inversion, defined as the late Yanshan Orogeny, significantly changed hydrocarbon migration patterns, probably causing redistribution of primary hydrocarbon reservoirs. In the Tertiary, the Heidimiao depression was buried much deeper than the Qianan depression and became the main source kitchen. Hydrocarbon migration was primarily controlled by fluid potential and generally migrated from relatively high potential areas to low potential areas. Structural highs and lithologic transitions are potential traps for current oil and gas exploration. Finally, several preferred hydrocarbon

  6. Lake and sea populations of Mysis relicta (Crustacea, Mysida with different visual-pigment absorbance spectra use the same A1 chromophore.

    Directory of Open Access Journals (Sweden)

    Nikolai Belikov

    Full Text Available Glacial-relict species of the genus Mysis (opossum shrimps inhabiting both fresh-water lakes and brackish sea waters in northern Europe show a consistent lake/sea dichotomy in eye spectral sensitivity. The absorbance peak (λmax recorded by microspectrophotometry in isolated rhabdoms is invariably 20-30 nm red-shifted in "lake" compared with "sea" populations. The dichotomy holds across species, major opsin lineages and light environments. Chromophore exchange from A1 to A2 (retinal → 3,4-didehydroretinal is a well-known mechanism for red-shifting visual pigments depending on environmental conditions or stages of life history, present not only in fishes and amphibians, but in some crustaceans as well. We tested the hypothesis that the lake/sea dichotomy in Mysis is due to the use of different chromophores, focussing on two populations of M. relicta from, respectively, a Finnish lake and the Baltic Sea. They are genetically very similar, having been separated for less than 10 kyr, and their rhabdoms show a typical lake/sea difference in λmax (554 nm vs. 529 nm. Gene sequencing has revealed no differences translating into amino acid substitutions in the transmembrane parts of their opsins. We determined the chromophore identity (A1 or A2 in the eyes of these two populations by HPLC, using as standards pure chromophores A1 and A2 as well as extracts from bovine (A1 and goldfish (A2 retinas. We found that the visual-pigment chromophore in both populations is A1 exclusively. Thus the spectral difference between these two populations of M. relicta is not due to the use of different chromophores. We argue that this conclusion is likely to hold for all populations of M. relicta as well as its European sibling species.

  7. Effects of Coke Deposits on the Catalytic Performance of Large Zeolite H-ZSM-5 Crystals during Alcohol-to-Hydrocarbon Reactions as Investigated by a Combination of Optical Spectroscopy and Microscopy

    NARCIS (Netherlands)

    Nordvang, Emily C.; Borodina, Elena; Ruiz-Martinez, Javier; Fehrmann, Rasmus; Weckhuysen, Bert M.

    2015-01-01

    The catalytic activity of large zeolite H-ZSM-5 crystals in methanol (MTO) and ethanol-to-olefins (ETO) conversions was investigated and, using operando UV/Vis measurements, the catalytic activity and deactivation was correlated with the formation of coke. These findings were related to in situ

  8. Winter to spring variations of chromophoric dissolved organic matter in a temperate estuary (Po River, northern Adriatic Sea).

    Science.gov (United States)

    Berto, D; Giani, M; Savelli, F; Centanni, E; Ferrari, C R; Pavoni, B

    2010-07-01

    The light absorbing fraction of dissolved organic carbon (DOC), known as chromophoric dissolved organic matter (CDOM) showed wide seasonal variations in the temperate estuarine zone in front of the Po River mouth. DOC concentrations increased from winter through spring mainly as a seasonal response to increasing phytoplankton production and thermohaline stratification. The monthly dependence of the CDOM light absorption by salinity and chlorophyll a concentrations was explored. In 2003, neither DOC nor CDOM were linearly correlated with salinity, due to an exceptionally low Po river inflow. Though the CDOM absorbance coefficients showed a higher content of chromophoric dissolved organic matter in 2004 with respect to 2003, the spectroscopic features confirmed that the qualitative nature of CDOM was quite similar in both years. CDOM and DOC underwent a conservative mixing, only after relevant Po river freshets, and a change in optical features with an increase of the specific absorption coefficient was observed, suggesting a prevailing terrestrial origin of dissolved organic matter. Published by Elsevier Ltd.

  9. Benzimidazole acrylonitriles as multifunctional push-pull chromophores: Spectral characterisation, protonation equilibria and nanoaggregation in aqueous solutions

    Science.gov (United States)

    Horak, Ema; Vianello, Robert; Hranjec, Marijana; Krištafor, Svjetlana; Zamola, Grace Karminski; Steinberg, Ivana Murković

    2017-05-01

    Heterocyclic donor-π-acceptor molecular systems based on an N,N-dimethylamino phenylacrylonitrile benzimidazole skeleton have been characterised and are proposed for potential use in sensing applications. The benzimidazole moiety introduces a broad spectrum of useful multifunctional properties to the system including electron accepting ability, pH sensitivity and compatibility with biomolecules. The photophysical characterisation of the prototropic forms of these chromophores has been carried out in both solution and on immobilisation in polymer films. The experimental results are further supported by computational determination of pKa values. It is noticed that compound 3 forms nanoaggregates in aqueous solutions with aggregation-induced emission (AIE) at 600 nm. All the systems demonstrate spectral pH sensitivity in acidic media which shifts towards near-neutral values upon immobilisation in polymer films or upon aggregation in an aqueous environment (compound 3). The structure-property relationships of these functional chromophores, involving their spectral characteristics, acid-base equilibria, pKa values and aggregation effects have been determined. Potential applications of the molecules as pH and biomolecular sensors are proposed based on their pH sensitivity and AIE properties.

  10. Occlusion of chromophore oxides by Sol-Gel methods: Application to the synthesis of hematite-silica red pigments

    Directory of Open Access Journals (Sweden)

    Vicent, J. B.

    2000-02-01

    Full Text Available Heteromorphic pigments present the chromophore particle occluded in an encapsulating matrix which is thermally stable and insoluble in glazes. The occluded chromophore compound is also insoluble in the host matrix. In this work the mechanisms of formation of this type of pigments are analyzed and the occlusion of hematite into silica matrix is discussed. The formation of this hematite-silica red pigment follows a sintering-coarsening mechanism, and, consequently, the control of both hematite particles nucleation and their crystal growth results to be decisive to obtain a good coloring effectiveness.

    En los pigmentos heteromórficos la partícula de cromóforo es ocluida en una matriz encapsuladora estable tanto termicamente como frente a los vidriados. El compuesto cromóforo ocluido y la matriz no coloreada son insolubles. En este trabajo se analiza los diferentes mecanismos de formación de estos pigmentos heteromórficos y se estudia la oclusión de hematita en sílice mediante métodos sol-gel acuoso. El pigmento sigue un mecanismo de sinterización-crecimiento cristalino por lo que es muy importante controlar el momento de nucleación y la velocidad de crecimiento de las partículas de hematita en el seno de la matriz.

  11. 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.

  12. The importance of nuclear quantum effects in spectral line broadening of optical spectra and electrostatic properties in aromatic chromophores

    Science.gov (United States)

    Law, Y. K.; Hassanali, A. A.

    2018-03-01

    In this work, we examine the importance of nuclear quantum effects on capturing the line broadening and vibronic structure of optical spectra. We determine the absorption spectra of three aromatic molecules indole, pyridine, and benzene using time dependent density functional theory with several molecular dynamics sampling protocols: force-field based empirical potentials, ab initio simulations, and finally path-integrals for the inclusion of nuclear quantum effects. We show that the absorption spectrum for all these chromophores are similarly broadened in the presence of nuclear quantum effects regardless of the presence of hydrogen bond donor or acceptor groups. We also show that simulations incorporating nuclear quantum effects are able to reproduce the heterogeneous broadening of the absorption spectra even with empirical force fields. The spectral broadening associated with nuclear quantum effects can be accounted for by the broadened distribution of chromophore size as revealed by a particle in the box model. We also highlight the role that nuclear quantum effects have on the underlying electronic structure of aromatic molecules as probed by various electrostatic properties.

  13. 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.

  14. [Chromophoric dissolved organic matter absorption characteristics with relation to fluorescence in typical macrophyte, algae lake zones of Lake Taihu].

    Science.gov (United States)

    Zhang, Yun-lin; Qin, Bo-qiang; Ma, Rong-hua; Zhu, Guang-wei; Zhang, Lu; Chen, Wei-min

    2005-03-01

    Chromophoric dissolved organic matter (CDOM) represents one of the primary light-absorbing species in natural waters and plays a critical in determining the aquatic light field. CDOM shows a featureless absorption spectrum that increases exponentially with decreasing wavelength, which limits the penetration of biologically damaging UV-B radiation (wavelength from 280 to 320 nm) in the water column, thus shielding aquatic organisms. CDOM absorption measurements and their relationship with dissolved organic carbon (DOC), and fluorescence are presented in typical macrophyte and algae lake zone of Lake Taihu based on a field investigation in April in 2004 and lab analysis. Absorption spectral of CDOM was measured from 240 to 800 nm using a Shimadzu UV-2401PC UV-Vis recording spectrophotometer. Fluorescence with an excitation wavelength of 355 nm, an emission wavelength of 450 nm is measured using a Shimadzu 5301 spectrofluorometer. Concentrations of DOC ranged from 6.3 to 17.2 mg/L with an average of 9.08 +/- 2.66 mg/L. CDOM absorption coefficients at 280 nm and 355 nm were in the range of 11.2 - 32.6 m(-1) (average 17.46m(-1) +/- 5.75 m(-1) and 2.4 - 8.3 m(-1) (average 4.17m(-1) +/- 1.47 m(-l)), respectively. The values of the DOC-specific absorption coefficient at 355 nm ranged from 0.31 to 0.64 L x (mg x m)-1. Fluorescence emission at 450 nm, excited at 355 nm, had a mean value of 1.32nm(-1) +/- 0.84 nm(-1). A significant lake zone difference is found in DOC concentration, CDOM absorption coefficient and fluorescence, but not in DOC-specific absorption coefficient and spectral slope coefficient. This regional distribution pattern is in agreement with the location of sources of yellow substance: highest concentrations close to river mouth under the influence of river inflow, lower values in East Lake Taihu. The values of algae lake zone are obvious larger than those of macrophyte lake zone. In Meiliang Bay, CDOM absorption, DOC concentration and fluorescence tend to

  15. 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 (

  16. Decontamination of hydrocarbon contaminated soil

    International Nuclear Information System (INIS)

    Smith, A.J.

    1991-01-01

    This patent describes the method of treating hydrocarbon contaminated soil. It comprises forming the soil into a flowing particulate stream, forming an aqueous liquid mixture of water and treating substance that reacts with hydrocarbon to form CO 2 and water, dispersing the liquid mixture into the particulate soil stream to wet the particulate, allowing the substance to react with the wetted soil particulate to thereby form CO 2 and water, thereby the resultant soil is beneficially treated, the stream being freely projected to dwell at a level and then fall, and the dispersing includes spraying the liquid mixture into the projected stream at the dwell, the substance consisting of natural bacteria, and at a concentration level in the mixture of between 100 to 3,000 PPM of bacteria to water, the soil forming step including impacting the soil to reduce it to particles less than about 1 inches in cross dimension, and including forming the wetting particulate into a first layer on a surface to allow the substance to react

  17. Hydrocarbon production with nuclear explosives

    International Nuclear Information System (INIS)

    Wade Watkins, J.

    1970-01-01

    The tremendous energy of nuclear explosives and the small dimensions of the explosive package make an ideal combination for drill-hole explosive emplacement in deep, thick hydrocarbon deposits. Potential applications exist in fracturing low permeability natural-gas and petroleum formations for stimulating production, fracturing oil shale to permit in situ retorting, and creating storage chimneys for natural gas, liquefied petroleum gas, petroleum, petroleum products, helium, and other fluids. Calculations show, for example, that less than 100 shots per year would be needed to stabilize the natural gas reserves to production ratio. Under the Government-industry Plowshare program, two experiments, Projects Gasbuggy and Rulison, were conducted to stimulate natural gas production from low-permeability formations. Incomplete information indicates that both were technically successful. Potential problems associated with the use of nuclear explosives for underground engineering applications are radioactive contamination, maximum yield limitations, high costs of detonating contained nuclear explosives, and adverse public opinion. Results at Project Gasbuggy and other considerations indicated that the problem of radioactive contamination was about as predicted and not an insurmountable one. Also, it was demonstrated that shots at adequate depths could be detonated without appreciable damage to existing surface and subsurface buildings, natural features, and equipment. However, costs must be reduced and the public must be better informed before these techniques can be widely used in field operations. On the basis of present knowledge, the potential of nuclear-explosive stimulation of hydrocarbon production appears good. Additional field experiments will be required to adequately explore that potential. (author)

  18. Hydrocarbon production with nuclear explosives

    Energy Technology Data Exchange (ETDEWEB)

    Wade Watkins, J [Petroleum Research, Bureau of Mines, U.S. Department of the Interior, Washington, DC (United States)

    1970-05-01

    The tremendous energy of nuclear explosives and the small dimensions of the explosive package make an ideal combination for drill-hole explosive emplacement in deep, thick hydrocarbon deposits. Potential applications exist in fracturing low permeability natural-gas and petroleum formations for stimulating production, fracturing oil shale to permit in situ retorting, and creating storage chimneys for natural gas, liquefied petroleum gas, petroleum, petroleum products, helium, and other fluids. Calculations show, for example, that less than 100 shots per year would be needed to stabilize the natural gas reserves to production ratio. Under the Government-industry Plowshare program, two experiments, Projects Gasbuggy and Rulison, were conducted to stimulate natural gas production from low-permeability formations. Incomplete information indicates that both were technically successful. Potential problems associated with the use of nuclear explosives for underground engineering applications are radioactive contamination, maximum yield limitations, high costs of detonating contained nuclear explosives, and adverse public opinion. Results at Project Gasbuggy and other considerations indicated that the problem of radioactive contamination was about as predicted and not an insurmountable one. Also, it was demonstrated that shots at adequate depths could be detonated without appreciable damage to existing surface and subsurface buildings, natural features, and equipment. However, costs must be reduced and the public must be better informed before these techniques can be widely used in field operations. On the basis of present knowledge, the potential of nuclear-explosive stimulation of hydrocarbon production appears good. Additional field experiments will be required to adequately explore that potential. (author)

  19. Unsaturated medium hydrocarbons pollution evaluation

    International Nuclear Information System (INIS)

    Di Luise, G.

    1991-01-01

    When the so called porous unsaturated medium, that's the vertical subsoil section between both the ground and water-table level, is interested by a hydrocarbons spill, the problem to evaluate the pollution becomes difficult: considering, essentially, the natural coexistence in it of two fluids, air and water, and the interactions between them. This paper reports that the problems tend to increase when a third fluid, the pollutant, immiscible with water, is introduced into the medium: a three-phases flow, which presents several analogies with the flow conditions present in an oil-reservoir, will be established. In such a situation, it would be very useful to handle the matter by the commonly used parameters in the oil reservoirs studies such as: residual saturation, relative permeability, phases mobility, to derive a first semiquantitative estimation of the pollution. The subsoil pollution form hydrocarbons agents is one of the worldwide more diffused causes of contamination: such events are generally referable to two main effects: accidental (oil pipeline breakdowns, e.g.), and continuous (underground tanks breaks, industrial plants leakages, e.g.)

  20. Production of hydrogen from hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Lohmueller, R

    1984-03-01

    Hydrocarbons are the preferred starting materials for the industrial production of hydrogen. Most hydrogen is produced by steam reforming of light hydrocarbons. Partial oxidation of heavy oil and residue is used for the production of H/sub 2/ and synthesis gas in large plants. In both cases gas purification was improved. Hydrogen-rich gases like coke oven gas, refinery-offgas, and offgases from the chemical and petrochemical industry have high potential for becoming a major source of hydrogen. Processes for recovering H/sub 2/ (and by-products) are condensation and rectification at low temperatures and, most attractive and versatile for the production of very pure H/sub 2/, adsorption (PSA). The environmental impact of H/sub 2/ production lies mainly in the emission of CO/sub 2/ and heat. Other forms of pollution can be considerably reduced by conventional methods. The economy of H/sub 2/ production depends essentially on price and availability of the raw materials.

  1. The electrostatic atomization of hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Kelly, A J

    1984-06-01

    Exploitation of the unique and potentially beneficial characteristics of electrostatic atomization in combustion systems has foundered upon the inability of two element, diode devices to operate at flow rates that are larger than a fraction of a millilitre per second. This restriction has been attributed to the high innate electrical resistivity of hydrocarbon fuels. A discussion of proposed electrostatic fuel atomizers and their limitations is presented from the vantage of a recently developed theory of electrostatic spraying. Comparison of theory and experiment reveals the existence of a 'constant of spraying' and the presence of an operational regime in which low charge density droplet development is possible. Operation with hydrocarbons in this regime occurs when the mean droplet size is greater than or equal to 10 ..mu..m and fluid viscosity is below about 250 cp. The resulting spray has a mean droplet size that is functionally dependent only upon the free charge density level of the fluid. Consequently there is no theoretical impediment to the attainment of high flow rate electrostatic atomization with fluids of arbitrary conductivity. Implementation is achieved by a general class of electrostatic spray devices which employ direct charge injection. The Spray Triode, a submerged field-emission electron gun, represents a particularly simple member of this new class of atomizer. Among the Spray Triode operational characteristics to be discussed is insensitivity to spray fluid properties and flow rate.

  2. The distribution and sources of polycyclic aromatic hydrocarbons in shallow groundwater from an alluvial-diluvial fan of the Hutuo River in North China

    Science.gov (United States)

    Wang, Jincui; Zhao, Yongsheng; Sun, Jichao; Zhang, Ying; Liu, Chunyan

    2018-06-01

    This paper has investigated the concentration and distribution of polycyclic aromatic hydrocarbons in shallow groundwater from an alluvial-diluvial fan of the Hutuo River in North China. Results show that the concentration levels of 16 priority polycyclic aromatic hydrocarbons range from 0 to 92.06 ng/L, do not conform to drinking water quality standards in China (GB 5749- 2006). However, the concentration figures of priority polycyclic aromatic hydrocarbons are much lower than that of other studies conducted elsewhere in China. In addition, highly-concentrated polycyclic aromatic hydrocarbons (50-92 ng/L) are fragmentarily distributed. The composition of polycyclic aromatic hydrocarbons from this study indicates that low molecular polycyclic aromatic hydrocarbons are predominant in groundwater samples, medium molecular compounds occur at low concentrations, and high molecular hydrocarbons are not detected. The polycyclic aromatic hydrocarbon composition in groundwater samples is basically the same as that of gaseous samples in the atmosphere in this study. Therefore, the atmospheric input is assumed to be an important source of polycyclic aromatic hydrocarbons, no less than wastewater discharge, adhesion on suspended solids, and surface water leakage. Ratios of specific polycyclic aromatic hydrocarbons demonstrate that they mainly originate from wood or coal combustion as well as natural gas and partially from petroleum according to the result of principal component analysis. On the whole, conclusions are drawn that the contamination sources of these polycyclic aromatic hydrocarbons are likely petrogenic and pyrolytic inputs. Future investigations by sampling topsoil, vadose soil, and the atmosphere can further verify aforementioned conclusions.

  3. Primary biodegradation of petroleum hydrocarbons in seawater

    Energy Technology Data Exchange (ETDEWEB)

    Comber, M.I.H.; Den Haan, K.H.; Djemel, N.; Eadsforth, C.V.; King, D.; Paumen, M.L.; Parkerton, T.; Dmytrasz, B.

    2012-12-15

    This report describes primary biodegradation experiments performed to determine the persistence of higher molecular weight petroleum hydrocarbons in seawater. Results from the biodegradation experiments show that the majority of tested petroleum hydrocarbons have half-lives in seawater less than 60 days.

  4. Mechanistic model for microbial growth on hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Mallee, F M; Blanch, H W

    1977-12-01

    Based on available information describing the transport and consumption of insoluble alkanes, a mechanistic model is proposed for microbial growth on hydrocarbons. The model describes the atypical growth kinetics observed, and has implications in the design of large scale equipment for single cell protein (SCP) manufacture from hydrocarbons. The model presents a framework for comparison of the previously published experimental kinetic data.

  5. Identification and Characterisation of Major Hydrocarbons in ...

    African Journals Online (AJOL)

    Identification and Characterisation of Major Hydrocarbons in Thermally Degraded Low Density Polyethylene Films. ... There were alkanes, alkenes, halogenated alkanes, and very few aromatics in the liquid product and, the hydrocarbons were observed to range between C10 - C27. The FTIR and GC-MS results show the ...

  6. Versatility of hydrocarbon production in cyanobacteria.

    Science.gov (United States)

    Xie, Min; Wang, Weihua; Zhang, Weiwen; Chen, Lei; Lu, Xuefeng

    2017-02-01

    Cyanobacteria are photosynthetic microorganisms using solar energy, H 2 O, and CO 2 as the primary inputs. Compared to plants and eukaryotic microalgae, cyanobacteria are easier to be genetically engineered and possess higher growth rate. Extensive genomic information and well-established genetic platform make cyanobacteria good candidates to build efficient biosynthetic pathways for biofuels and chemicals by genetic engineering. Hydrocarbons are a family of compounds consisting entirely of hydrogen and carbon. Structural diversity of the hydrocarbon family is enabled by variation in chain length, degree of saturation, and rearrangements of the carbon skeleton. The diversified hydrocarbons can be used as valuable chemicals in the field of food, fuels, pharmaceuticals, nutrition, and cosmetics. Hydrocarbon biosynthesis is ubiquitous in bacteria, yeasts, fungi, plants, and insects. A wide variety of pathways for the hydrocarbon biosynthesis have been identified in recent years. Cyanobacteria may be superior chassis for hydrocabon production in a photosynthetic manner. A diversity of hydrocarbons including ethylene, alkanes, alkenes, and terpenes can be produced by cyanobacteria. Metabolic engineering and synthetic biology strategies can be employed to improve hydrocarbon production in cyanobacteria. This review mainly summarizes versatility and perspectives of hydrocarbon production in cyanobacteria.

  7. 33 CFR 157.166 - Hydrocarbon emissions.

    Science.gov (United States)

    2010-07-01

    ... 33 Navigation and Navigable Waters 2 2010-07-01 2010-07-01 false Hydrocarbon emissions. 157.166 Section 157.166 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED... Crude Oil Washing (COW) System on Tank Vessels Cow Operations § 157.166 Hydrocarbon emissions. If the...

  8. George A. Olah, Carbocation and Hydrocarbon Chemistry

    Science.gov (United States)

    dropdown arrow Site Map A-Z Index Menu Synopsis George A. Olah, Carbocation and Hydrocarbon Chemistry George Olah received the 1994 Nobel Prize in Chemistry "for his contribution to carbocation chemistry" and his 'role in the chemistry of hydrocarbons. In particular, he developed superacids

  9. Sulfonated hydrocarbon graft architectures for cation exchange membranes

    DEFF Research Database (Denmark)

    Nielsen, Mads Møller; Jankova Atanasova, Katja; Hvilsted, Søren

    2013-01-01

    A synthetic strategy to hydrocarbon graft architectures prepared from a commercial polysulfone and aimed as ion exchange membrane material is proposed. Polystyrene is grafted from a polysulfone macroinitiator by atom transfer radical polymerization, and subsequently sulfonated with acetyl sulfate...... to various degrees. Series of grafting densities and graft lengths are prepared, and membranes are solvent cast from DMSO. The membrane properties in aqueous environments are evaluated from their water swelling behavior, and their thermal properties and stability are investigated by thermogravimetric...

  10. Ignition behavior of aviation fuels and some hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Koerber, F.

    1975-01-01

    Air relighting of jet engines is an important contribution to the operation safety of aircraft engines. Reignition is influenced by fuel properties in addition to the engine design. A survey is presented on the problems, considering the specific fuel properties. Investigations were made on the ignition behavior of aviation fuels and hydrocarbons in a simplified model combustion chamber. Air inlet conditions were 200 to 800 mbar and 300 to 500 K. Correlation between physical and chemical properties and ignitability is discussed.

  11. Natural elimination of volatile halogenated hydrocarbons from the environment

    Energy Technology Data Exchange (ETDEWEB)

    Harress, H.M.; Grathwohl, P.; Torunski, H.

    1987-01-01

    Recently carried out field investigations of groundwater contaminations with volatile halogenated hydrocarbons have shown evidence of natural elimination of these hazardous substances. This elimination effects is rare and observed in connection with special geological conditions. With regard to some contaminated sites, the following mechanisms for this behaviour are discussed: 1. Stripping by naturally ascending gases. 2. Sorption on soil organic matter. 3. Biodegradation. The so far compiled knowledge allowed to develop further research programmes, which are pursued in various projects.

  12. Distribution Pattern of Polyaromatic Hydrocarbons (PAHs) in Soils in ...

    African Journals Online (AJOL)

    Distribution Pattern of Polyaromatic Hydrocarbons (PAHs) in Soils in the Vicinity of Fuel Stations in Abraka, Nigeria. ... (0.00191mg.kg-1). Investigation also reveals that all tested samples are contaminated, with mean values ranging between 0.000207±0.00026mg.kg-1 and 0.002123±0.00303mg.kg-1. Similarly, spearmen's ...

  13. Frequency–amplitude range of hydrocarbon microtremors and a discussion on their source

    International Nuclear Information System (INIS)

    Gerivani, H; Hafezi Moghaddas, N; Ghafoori, M; Lashkaripour, G R; Haghshenas, E

    2012-01-01

    Recently, some studies have suggested using ambient noise as a tool for hydrocarbon reservoir investigation. This new passive seismic technique, named HyMas, is based on the positive energy anomaly in data spectra between 1 to 6 Hz for microtremor measurements over reservoirs, which are called hydrocarbon microtremors. Despite the acceptable results obtained by the HyMas technique, there are many unknowns, especially concerning the source and generation mechanism of hydrocarbon microtremors and the relations between reservoir characteristics and the attributes of hydrocarbon microtremors. In this study we tried to find the relations between reservoir characteristics, including fluid content and depth, for 12 sites around the world with hydrocarbon microtremor attributes, including peak amplitude and frequency. Based on the power spectral density curves of these 12 reservoirs, a frequency–amplitude range is also proposed as a criterion for separating hydrocarbon microtremors from local noise not related to reservoirs. Finally, the source of the hydrocarbon microtremors is discussed and tidal displacement is suggested as a probable agent for the generation of these anomalies. (paper)

  14. Chemometric characterization of the hydrogen bonding complexes of secondary amides and aromatic hydrocarbons

    OpenAIRE

    Jović, Branislav; Nikolić, Aleksandar; Petrović, Slobodan

    2012-01-01

    The paper reports the results of the study of hydrogen bonding complexes between secondary amides and various aromatic hydrocarbons. The possibility of using chemometric methods was investigated in order to characterize N-H•••π hydrogen bonded complexes. Hierarchical clustering and Principal Component Analysis (PCA) have been applied on infrared spectroscopic and Taft parameters of 43 N-substituted amide complexes with different aromatic hydrocarbons. Results obtained in this report are...

  15. 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.

  16. Effects of Coke Deposits on the Catalytic Performance of Large Zeolite H-ZSM-5 Crystals during Alcohol-to-Hydrocarbons Reactions as Investigated by a Combination of Optical Spectroscopy and Microscopy

    DEFF Research Database (Denmark)

    Nordvang, Emily Catherine; Borodina, Elena; Ruiz-Martínez, Javier

    2015-01-01

    The catalytic activity of large zeolite H-ZSM-5 crystals in methanol (MTO) and ethanol-to-olefins (ETO) conversions was investigated and, using operando UV/Vis measurements, the catalytic activity and deactivation was correlated with the formation of coke. These findings were related to in situ...... single crystal UV/Vis and confocal fluorescence micro-spectroscopy, allowing the observation of the spatiotemporal formation of intermediates and coke species during the MTO and ETO conversions. It was observed that rapid deactivation at elevated temperatures was due to the fast formation of aromatics...... at the periphery of the H-ZSM-5 crystals, which are transformed into more poly-aromatic coke species at the external surface, preventing the diffusion of reactants and products into and out of the H-ZSM-5 crystal. Furthermore, we were able to correlate the operando UV/Vis spectroscopy results observed during...

  17. Factors affecting the distribution of hydrocarbon contaminants and hydrogeochemical parameters in a shallow sand aquifer

    Science.gov (United States)

    Lee, Jin-Yong; Cheon, Jeong-Yong; Lee, Kang-Kun; Lee, Seok-Young; Lee, Min-Hyo

    2001-07-01

    The distributions of hydrocarbon contaminants and hydrogeochemical parameters were investigated in a shallow sand aquifer highly contaminated with petroleum hydrocarbons leaked from solvent storage tanks. For these purposes, a variety of field investigations and studies were performed, which included installation of over 100 groundwater monitoring wells and piezometers at various depths, soil logging and analyses during well and piezometer installation, chemical analysis of groundwater, pump tests, and slug tests. Continuous water level monitoring at three selected wells using automatic data-logger and manual measuring at other wells were also conducted. Based on analyses of the various investigations and tests, a number of factors were identified to explain the distribution of the hydrocarbon contaminants and hydrogeochemical parameters. These factors include indigenous biodegradation, hydrostratigraphy, preliminary pump-and-treat remedy, recharge by rainfall, and subsequent water level fluctuation. The permeable sandy layer, in which the mean water table elevation is maintained, provided a dominant pathway for contaminant transport. The preliminary pump-and-treat action accelerated the movement of the hydrocarbon contaminants and affected the redox evolution pattern. Seasonal recharge by rain, together with indigenous biodegradation, played an important role in the natural attenuation of the petroleum hydrocarbons via mixing/dilution and biodegradation. The water level fluctuations redistributed the hydrocarbon contaminants by partitioning them into the soil and groundwater. The identified factors are not independent but closely inter-correlated.

  18. Soil Iodine Determination in Deccan Syneclise, India: Implications for Near Surface Geochemical Hydrocarbon Prospecting

    International Nuclear Information System (INIS)

    Mani, Devleena; Kumar, T. Satish; Rasheed, M. A.; Patil, D. J.; Dayal, A. M.; Rao, T. Gnaneshwar; Balaram, V.

    2011-01-01

    The association of iodine with organic matter in sedimentary basins is well documented. High iodine concentration in soils overlying oil and gas fields and areas with hydrocarbon microseepage has been observed and used as a geochemical exploratory tool for hydrocarbons in a few studies. In this study, we measure iodine concentration in soil samples collected from parts of Deccan Syneclise in the west central India to investigate its potential application as a geochemical indicator for hydrocarbons. The Deccan Syneclise consists of rifted depositional sites with Gondwana–Mesozoic sediments up to 3.5 km concealed under the Deccan Traps and is considered prospective for hydrocarbons. The concentration of iodine in soil samples is determined using ICP-MS and the values range between 1.1 and 19.3 ppm. High iodine values are characteristic of the northern part of the sampled region. The total organic carbon (TOC) content of the soil samples range between 0.1 and 1.3%. The TOC correlates poorly with the soil iodine (r 2 < 1), indicating a lack of association of iodine with the surficial organic matter and the possibility of interaction between the seeping hydrocarbons and soil iodine. Further, the distribution pattern of iodine compares well with two surface geochemical indicators: the adsorbed light gaseous hydrocarbons (methane through butane) and the propane-oxidizing bacterial populations in the soil. The integration of geochemical observations show the occurrence of elevated values in the northern part of the study area, which is also coincident with the presence of exposed dyke swarms that probably serve as conduits for hydrocarbon microseepage. The corroboration of iodine with existing geological, geophysical, and geochemical data suggests its efficacy as one of the potential tool in surface geochemical exploration of hydrocarbons. Our study supports Deccan Syneclise to be promising in terms of its hydrocarbon prospects.

  19. Fate and degradation of petroleum hydrocarbons in stormwater bioretention cells

    Science.gov (United States)

    LeFevre, Gregory Hallett

    This dissertation describes the investigation of the fate of hydrocarbons in stormwater bioretention areas and those mechanisms that affect hydrocarbon fate in such systems. Seventy-five samples from 58 bioretention areas were collected and analyzed to measure total petroleum hydrocarbon (TPH) residual and biodegradation functional genes. TPH residual in bioretention areas was greater than background sites but low overall (hydrocarbon biodegradation. Field soils were capable of mineralizing naphthalene, a polycyclic aromatic hydrocarbon (PAH) when incubated in the laboratory. In an additional laboratory investigation, a column study was initiated to comprehensively determine naphthalene fate in a simulated bioretention cell using a 14C-labeled tracer. Sorption to soil was the greatest sink of naphthalene in the columns, although biodegradation and vegetative uptake were also important loss mechanisms. Little leaching occurred following the first flush, and volatilization was insignificant. Significant enrichment of naphthalene degrading bacteria occurred over the course of the experiment as a result of naphthalene exposure. This was evident from enhanced naphthalene biodegradation kinetics (measured via batch tests), significant increases in naphthalene dioxygenase gene quantities, and a significant correlation observed between naphthalene residual and biodegradation functional genes. Vegetated columns outperformed the unplanted control column in terms of total naphthalene removal and biodegradation kinetics. As a result of these experiments, a final study focused on why planted systems outperform unplanted systems was conducted. Plant root exudates were harvested from hydroponic setups for three types of plants. Additionally, a solution of artificial root exudates (AREs) as prepared. Exudates were digested using soil bacteria to create metabolized exudates. Raw and metabolized exudates were characterized for dissolved organic carbon, specific UV absorbance

  20. 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.

  1. UV-Vis spectroscopy of tyrosine side-groups in studies of protein structure. Part 1: basic principles and properties of tyrosine chromophore.

    Science.gov (United States)

    Antosiewicz, Jan M; Shugar, David

    2016-06-01

    Spectroscopic properties of tyrosine residues may be employed in structural studies of proteins. Here we discuss several different types of UV-Vis spectroscopy, like normal, difference and second-derivative UV absorption spectroscopy, fluorescence spectroscopy, linear and circular dichroism spectroscopy, and Raman spectroscopy, and corresponding optical properties of the tyrosine chromophore, phenol, which are used to study protein structure.

  2. Characteristics and sources of chromophoric dissolved organic matter in lakes of the Yungui Plateau, China, differing in trophic state and altitude

    NARCIS (Netherlands)

    Zhang, Y.; Zhang, E.; Yin, Y.; Van Dijk, M.A.; Feng, L.; Shi, Z.; Liu, M.; Qina, B.

    2010-01-01

    The high-mountain lakes on the Yungui Plateau in China are exposed to high-intensity ultraviolet radiation, and contain low concentrations of chromophoric dissolved organic matter (CDOM). We determined CDOM absorption, fluorescence, composition, and source in 38 lakes on the Yungui Plateau at

  3. The crystal structure of human protein α1M reveals a chromophore-binding site and two putative protein–protein interfaces

    International Nuclear Information System (INIS)

    Zhang, Yangli; Gao, Zengqiang; Guo, Zhen; Zhang, Hongpeng; Zhang, Zhenzhen; Luo, Miao; Hou, Haifeng; Huang, Ailong; Dong, Yuhui; Wang, Deqiang

    2013-01-01

    Highlights: •We determined the first structure of human α1M with heavy electron density of the chromophore. •We proposed a new structural model of the chromophore. •We first revealed that the two conserved surface regions of α1M are proposed as putative protein–protein interface sites. -- Abstract: Lipocalin α1-microglobulin (α1M) is a conserved glycoprotein present in plasma and in the interstitial fluids of all tissues. α1M is linked to a heterogeneous yellow–brown chromophore of unknown structure, and interacts with several target proteins, including α1-inhibitor-3, fibronectin, prothrombin and albumin. To date, there is little knowledge about the interaction sites between α1M and its partners. Here, we report the crystal structure of the human α1M. Due to the crystallization occurring in a low ionic strength solution, the unidentified chromophore with heavy electron density is observed at a hydrophobic inner tube of α1M. In addition, two conserved surface regions of α1M are proposed as putative protein–protein interface sites. Further study is needed to unravel the detailed information about the interaction between α1M and its partners

  4. Phosphorescence parameters for platinum (II) organometallic chromophores: A study at the non-collinear four-component Kohn–Sham level of theory

    DEFF Research Database (Denmark)

    Norman, Patrick; Jensen, Hans Jørgen Aagaard

    2012-01-01

    A theoretical characterization of the phosphorescence decay traces of a prototypical platinum (II) organic chromophore has been conducted. The phosphorescence wavelength and radiative lifetime are predicted to equal 544 nm and 160 μs, respectively. The third triplet state is assigned as participa...

  5. Acentric 2-D ensembles of D-br-A electron-transfer chromophores via vectorial orientation within amphiphilic n-helix bundle peptides for photovoltaic device applications.

    Science.gov (United States)

    Koo, Jaseung; Park, Jaehong; Tronin, Andrey; Zhang, Ruili; Krishnan, Venkata; Strzalka, Joseph; Kuzmenko, Ivan; Fry, H Christopher; Therien, Michael J; Blasie, J Kent

    2012-02-14

    We show that simply designed amphiphilic 4-helix bundle peptides can be utilized to vectorially orient a linearly extended donor-bridge-acceptor (D-br-A) electron transfer (ET) chromophore within its core. The bundle's interior is shown to provide a unique solvation environment for the D-br-A assembly not accessible in conventional solvents and thereby control the magnitudes of both light-induced ET and thermal charge recombination rate constants. The amphiphilicity of the bundle's exterior was employed to vectorially orient the peptide-chromophore complex at a liquid-gas interface, and its ends were tailored for subsequent covalent attachment to an inorganic surface, via a "directed assembly" approach. Structural data, combined with evaluation of the excited state dynamics exhibited by these peptide-chromophore complexes, demonstrate that densely packed, acentrically ordered 2-D monolayer ensembles of such complexes at high in-plane chromophore densities approaching 1/200 Å(2) offer unique potential as active layers in binary heterojunction photovoltaic devices.

  6. Distribution of hydrocarbon-utilizing microorganisms and hydrocarbon biodegradation potentials in Alaskan continental shelf areas

    International Nuclear Information System (INIS)

    Roubal, G.; Atlas, R.M.

    1978-01-01

    Hydrocarbon-utilizing microogranisms were enumerated from Alaskan continental shelf areas by using plate counts and a new most-probable-number procedure based on mineralization of 14 C-labeled hydrocarbons. Hydrocarbon utilizers were ubiquitously distributed, with no significant overall concentration differences between sampling regions or between surface water and sediment samples. There were, however, significant seasonal differences in numbers of hydrocarbon utilizers. Distribution of hydrocarbon utilizers within Cook Inlet was positively correlated with occurrence of hydrocarbons in the environment. Hydrocarbon biodegradation potentials were measured by using 14 C-radiolabeled hydrocarbon-spiked crude oil. There was no significant correlation between numbers of hydrocarbon utilizers and hydrocarbon biodegradation potentials. The biodegradation potentials showed large seasonal variations in the Beaufort Sea, probably due to seasonal depletion of available nutrients. Non-nutrient-limited biodegradation potentials followed the order hexadecane > naphthalene >> pristane > benzanthracene. In Cook Inlet, biodegradation potentials for hexadecane and naphthalene were dependent on availability of inorganic nutrients. Biodegradation potentials for pristane and benzanthracene were restricted, probably by resistance to attack by available enzymes in the indigenous population

  7. Hydrocarbon pollution from marinas in estuarine sediments

    Science.gov (United States)

    Voudrias, Evangelos A.; Smith, Craig L.

    1986-03-01

    A measure of the impact of marinas on three Eastern Virginia estuarine creeks was obtained by a study of hydrocarbons in their sediments. Two of the creeks support considerable marine activity, including pleasure boat marinas, boat repair facilities, and commercial fishing operations. The third creek, which served as a control, is seldom used by boats, and is surrounded by marsh and woodland. Sediments from the creeks with marinas contained significantly higher levels of both aromatic and aliphatic hydrocarbons than did the control. Differences in the concentrations of certain oil-pollution indicators, such as the 17α,21β-hopane homologs and phytane, and low molecular weight aromatic hydrocarbons, are indicative of light petroleum fractions. Most of the aromatic hydrocarbons from all creeks, however, appear to have a pyrogenic origin. Although hydrocarbons from three probable origins (petroleum, pyrogenesis, and recent biosynthesis) were detected in all locations, the petroleum-derived and pyrogenic hydrocarbons were of only minor importance relative to the biogenic hydrocarbons in the control creek.

  8. Algal Lipid Extraction and Upgrading to Hydrocarbons Technology Pathway

    Energy Technology Data Exchange (ETDEWEB)

    Davis, Ryan; Biddy, Mary J.; Jones, Susanne B.

    2013-03-31

    In support of the Bioenergy Technologies Office, the National Renewable Energy Laboratory (NREL) and the Pacific Northwest National Laboratory (PNNL) are undertaking studies of biomass conversion technologies to identify barriers and target research toward reducing conversion costs. Process designs and preliminary economic estimates for each of these pathway cases were developed using rigorous modeling tools (Aspen Plus and Chemcad). These analyses incorporated the best information available at the time of development, including data from recent pilot and bench-scale demonstrations, collaborative industrial and academic partners, and published literature and patents. This technology pathway case investigates the cultivation of algal biomass followed by further lipid extraction and upgrading to hydrocarbon biofuels. Technical barriers and key research needs have been assessed in order for the algal lipid extraction and upgrading pathway to be competitive with petroleum-derived gasoline, diesel and jet range hydrocarbon blendstocks.

  9. Source allocation by least-squares hydrocarbon fingerprint matching

    Energy Technology Data Exchange (ETDEWEB)

    William A. Burns; Stephen M. Mudge; A. Edward Bence; Paul D. Boehm; John S. Brown; David S. Page; Keith R. Parker [W.A. Burns Consulting Services LLC, Houston, TX (United States)

    2006-11-01

    There has been much controversy regarding the origins of the natural polycyclic aromatic hydrocarbon (PAH) and chemical biomarker background in Prince William Sound (PWS), Alaska, site of the 1989 Exxon Valdez oil spill. Different authors have attributed the sources to various proportions of coal, natural seep oil, shales, and stream sediments. The different probable bioavailabilities of hydrocarbons from these various sources can affect environmental damage assessments from the spill. This study compares two different approaches to source apportionment with the same data (136 PAHs and biomarkers) and investigate whether increasing the number of coal source samples from one to six increases coal attributions. The constrained least-squares (CLS) source allocation method that fits concentrations meets geologic and chemical constraints better than partial least-squares (PLS) which predicts variance. The field data set was expanded to include coal samples reported by others, and CLS fits confirm earlier findings of low coal contributions to PWS. 15 refs., 5 figs.

  10. Biological Conversion of Sugars to Hydrocarbons Technology Pathway

    Energy Technology Data Exchange (ETDEWEB)

    Davis, Ryan; Biddy, Mary J.; Tan, Eric; Tao, Ling; Jones, Susanne B.

    2013-03-31

    In support of the Bioenergy Technologies Office, the National Renewable Energy Laboratory (NREL) and the Pacific Northwest National Laboratory (PNNL) are undertaking studies of biomass conversion technologies to identify barriers and target research toward reducing conversion costs. Process designs and preliminary economic estimates for each of these pathway cases were developed using rigorous modeling tools (Aspen Plus and Chemcad). These analyses incorporated the best information available at the time of development, including data from recent pilot and bench-scale demonstrations, collaborative industrial and academic partners, and published literature and patents. This technology pathway case investigates the biological conversion of biomass derived sugars to hydrocarbon biofuels, utilizing data from recent literature references and information consistent with recent pilot scale demonstrations at NREL. Technical barriers and key research needs have been identified that should be pursued for the pathway to become competitive with petroleum-derived gasoline, diesel and jet range hydrocarbon blendstocks.

  11. Reduction of petroleum hydrocarbons and toxicity in refinery wastewater by bioremediation.

    Science.gov (United States)

    Płaza, Grazyna A; Jangid, Kamlesh; Lukasik, Krystyna; Nałecz-Jawecki, Grzegorz; Berry, Christopher J; Brigmon, Robin L

    2008-10-01

    The aim of the study was to investigate petroleum waste remediation and toxicity reduction by five bacterial strains: Ralstonia picketti SRS (BP-20), Alcaligenes piechaudii SRS (CZOR L-1B), Bacillus subtilis (I'-1a), Bacillus sp. (T-1), and Bacillus sp. (T'-1), previously isolated from petroleum-contaminated soils. Petroleum hydrocarbons were significantly degraded (91%) by the mixed bacterial cultures in 30 days (reaching up to 29% in the first 72 h). Similarly, the toxicity of the biodegraded petroleum waste decreased 3-fold after 30 days. This work shows the influence of bacteria on hydrocarbon degradation and associated toxicity, and its dependence on the specific microorganisms present. The ability of these mixed cultures to degrade hydrocarbons and reduce toxicity makes them candidates for environmental restoration applications at other hydrocarbon-contaminated environments.

  12. He+ irradiation temperature influence on the structure and nanohardness of hydrocarbon films

    International Nuclear Information System (INIS)

    Fan, Hongyu; Yang, Deming; Sun, Li; Yang, Qi; Niu, Jinhai; Guo, Liping; Chen, Jihong; Bi, Zhenhua; Liu, Dongping

    2013-01-01

    Polymer-like hydrocarbon films were irradiated with 100 keV He + or annealed at sample temperatures varying from 25 to 600 °C. The effects of sample temperature on the structure and nanohardness of hydrocarbon films are investigated by atomic force microscopy (AFM), AFM-based nanoindentation, Fourier transform infrared spectroscopy, and Raman spectroscopy. Analysis shows that annealing results in the decrease in the nanohardness of hydrocarbon films from 4.0 GPa to 0.55 GPa while He + irradiation at an elevated sample temperature results in the formation of dense diamond-like carbon films with nanohardness up to 20.0 GPa. This indicates that polymer-like hydrocarbon films can be transformed into the hard diamond-like carbon films with a relatively low H content on vacuum vessels of fusion devices due to the energetic bombardments at an elevated wall temperature

  13. Inhibition of hydrocarbon bioremediation by lead in a crude oil-contaminated soil

    Energy Technology Data Exchange (ETDEWEB)

    Al-Saleh, E.S.; Obuekwe, C. [Kuwait University (Kuwait). Department of Biological Sciences, Microbiology Program

    2005-07-01

    Analyses of soil samples revealed that the level of lead (total or bioavailable) was three-fold greater in crude oil contaminated than in uncontaminated Kuwaiti soils. Investigation of the possible inhibitory effect of lead on hydrocarbon degradation by the soil microbiota showed that the number of hydrocarbon-degrading bacteria decreased with increased levels of lead nitrate added to soil samples, whether oil polluted or not. At 1.0 mg lead nitrate g{sup -1} dry soil, the number of degraders of hexadecane, naphthalene and crude oil declined by 14%, 23% and 53%, respectively. In a similar manner, the degradation and mineralization of different hydrocarbons decreased with increased lead content in cultures, although the decreases were not significantly different (P>0.05). The dehydrogenase activities of soil samples containing hydrocarbons as substrates also declined with an increase in the lead content of soil samples. (author)

  14. He{sup +} irradiation temperature influence on the structure and nanohardness of hydrocarbon films

    Energy Technology Data Exchange (ETDEWEB)

    Fan, Hongyu [School of Physics and Materials Engineering, Dalian Nationalities University, Dalian 116600 (China); Yang, Deming [School of Physics and Materials Engineering, Dalian Nationalities University, Dalian 116600 (China); School of Science, Changchun University of Science and Technology, Changchun, Jilin 130022 (China); Sun, Li [School of Physics and Materials Engineering, Dalian Nationalities University, Dalian 116600 (China); School of Physics, Liaoning Normal University, Dalian 116023 (China); Yang, Qi; Niu, Jinhai [School of Physics and Materials Engineering, Dalian Nationalities University, Dalian 116600 (China); Guo, Liping; Chen, Jihong [Accelerator Laboratory, School of Physics, Wuhan University, Wuhan 430072 (China); Bi, Zhenhua [School of Physics and Materials Engineering, Dalian Nationalities University, Dalian 116600 (China); Liu, Dongping, E-mail: dongping.liu@dlnu.edu.cn [School of Physics and Materials Engineering, Dalian Nationalities University, Dalian 116600 (China); Fujian Key Laboratory for Plasma and Magnetic Resonance, Department of Electronic Science, Aeronautics, School of Physics and Mechanical and Electrical Engineering, Xiamen University, Xiamen, Fujian 361005 (China)

    2013-09-15

    Polymer-like hydrocarbon films were irradiated with 100 keV He{sup +} or annealed at sample temperatures varying from 25 to 600 °C. The effects of sample temperature on the structure and nanohardness of hydrocarbon films are investigated by atomic force microscopy (AFM), AFM-based nanoindentation, Fourier transform infrared spectroscopy, and Raman spectroscopy. Analysis shows that annealing results in the decrease in the nanohardness of hydrocarbon films from 4.0 GPa to 0.55 GPa while He{sup +} irradiation at an elevated sample temperature results in the formation of dense diamond-like carbon films with nanohardness up to 20.0 GPa. This indicates that polymer-like hydrocarbon films can be transformed into the hard diamond-like carbon films with a relatively low H content on vacuum vessels of fusion devices due to the energetic bombardments at an elevated wall temperature.

  15. Efficient {pi} electrons delocalization in prospective push-pull non-linear optical chromophore 4-[N,N-dimethylamino]-4'-nitro stilbene (DANS): A vibrational spectroscopic study

    Energy Technology Data Exchange (ETDEWEB)

    Vijayakumar, T.; Hubert Joe, I. [Centre for Molecular and Biophysics Research, Department of Physics, Mar Ivanios College, Thiruvananthapuram 695 015, Kerala (India); Reghunadhan Nair, C.P. [Polymers and Special Chemicals Division, Vikram Sarabhai Space Centre, Thiruvananthapuram 695 022, Kerala (India); Jayakumar, V.S. [Centre for Molecular and Biophysics Research, Department of Physics, Mar Ivanios College, Thiruvananthapuram 695 015, Kerala (India)], E-mail: vsjk@vsnl.net

    2008-01-22

    A comprehensive investigation on the intramolecular charge transfer (ICT) of an efficient {pi}-conjugated potential push-pull NLO chromophore, 4-[N,N-dimethylamino]-4'-nitro stilbene (DANS), from a strong electron-donor group (dimethylamino-N(CH{sub 3}){sub 2}) to a strong electron-acceptor group (nitro-NO{sub 2}) through the {pi}-conjugated bridge (trans-stilbene) has been carried out from their vibrational spectra. The NIR FT-Raman and FT-IR spectra supported by the density functional theory (DFT) quantum chemical computations have been employed to analyze the effects of intramolecular charge transfer on the geometries and the vibrational modes contributing to the linear electro-optic effect of the organic NLO material. It has been observed that the changes in the endocyclic and exocyclic angles result from the charge-transfer interaction of the phenyl ring and the amino group in the electron-donor side of the NLO chromophore. The strongest vibrational modes contributing to the electro-optic effect have been identified and examined from the concurrent IR and Raman activation of {nu}(C=C/C-C) mode, ring C=C stretching modes, in-plane deformation modes, nitro modes and the umbrella mode of methyl groups. Furthermore, the splitting of the vinyl stretching modes and the electronic effects such as hyperconjugation and backdonation on the methyl hydrogen atoms causing the decrease of stretching frequencies and infrared intensities have also been analyzed in detail. The effect of frontier orbitals transition of electron density transfer and the influence of planarity between the phenyl rings of the stilbene moiety on the first hyperpolarizability have also been discussed.

  16. Synthesis, photophysical properties of triazolyl-donor/acceptor chromophores decorated unnatural amino acids: Incorporation of a pair into Leu-enkephalin peptide and application of triazolylperylene amino acid in sensing BSA.

    Science.gov (United States)

    Bag, Subhendu Sekhar; Jana, Subhashis; Pradhan, Manoj Kumar

    2016-08-15

    The research in the field of design and synthesis of unnatural amino acids is growing at a fast space for the increasing demand of proteins of potential therapeutics and many other diversified novel functional applications. Thus, we report herein the design and synthesis of microenvironment sensitive fluorescent triazolyl unnatural amino acids (UNAA) decorated with donor and/or acceptor aromatic chromophores via click chemistry. The synthesized fluorescent amino acids show interesting solvatochromic characteristic and/or intramolecular charge transfer (ICT) feature as is revealed from the UV-visible, fluorescence photophysical properties and DFT/TDDFT calculation. HOMO-LUMO distribution shows that the emissive states of some of the amino acids are characterized with more significant electron redistribution between the triazolyl moiety and the aromatic chromophores linked to it leading to modulated emission property. A pair of donor-acceptor amino acid shows interesting photophysical interaction property indicating a FRET quenching event. Furthermore, one of the amino acid, triazolyl-perylene amino acid, has been exploited for studying interaction with BSA and found that it is able to sense BSA with an enhancement of fluorescence intensity. Finally, we incorporated a pair of donor/acceptor amino acids into a Leu-enkephalin analogue pentapeptide which was found to adopt predominantly type II β-turn conformation. We envisage that our investigation is of importance for the development of new fluorescent donor-acceptor unnatural amino acids a pair of which can be exploited for generating fluorescent peptidomimetic probe of interesting photophysical property for applications in studying peptide-protein interaction. Copyright © 2016 Elsevier Ltd. All rights reserved.

  17. 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.

  18. Hydraulic connectivity and evaporation control the water quality and sources of chromophoric dissolved organic matter in Lake Bosten in arid northwest China.

    Science.gov (United States)

    Zhou, Lei; Zhou, Yongqiang; Hu, Yang; Cai, Jian; Bai, Chengrong; Shao, Keqiang; Gao, Guang; Zhang, Yunlin; Jeppesen, Erik; Tang, Xiangming

    2017-12-01

    Lake Bosten is the largest oligosaline lake in arid northwestern China, and water from its tributaries and evaporation control the water balance of the lake. In this study, water quality and chromophoric dissolved organic matter (CDOM) absorption and fluorescence were investigated in different seasons to elucidate how hydraulic connectivity and evaporation may affect the water quality and variability of CDOM in the lake. Mean suspended solids and turbidity were significantly higher in the upstream tributaries than in the lake, the difference being notably more pronounced in the wet than in the dry season. A markedly higher mean first principal component (PC1) score, which was significantly positively related to protein-like components, and a considerably lower fluorescence peak integration ratio - I C :I T , indicative of the terrestrial humic-like CDOM contribution percentage, were observed in the lake than in the upstream tributaries. Correspondingly, notably higher contribution percentages of terrestrial humic-like components were observed in the river mouth areas than in the remaining lake regions. Furthermore, significantly higher mean turbidity, and notably lower mean conductivity and salinity, were recorded in the southwestern Kaidu river mouth than in the remaining lake regions in the wet season. Notably higher mean salinity is recorded in Lake Bosten than in upstream tributaries. Autochthonous protein-like associated amino-acids and also PC1 scores increased significantly with increasing salinity. We conclude that the dynamics of water quality and CDOM composition in remote arid Lake Bosten are strongly driven by evaporation and also the hydraulic connectivity between the upstream tributaries and the downstream lake. Copyright © 2017 Elsevier Ltd. All rights reserved.

  19. Comparison of optical properties of chromophoric dissolved organic matter (CDOM) in alpine lakes above or below the tree line: insights into sources of CDOM.

    Science.gov (United States)

    Su, Yaling; Chen, Feizhou; Liu, Zhengwen

    2015-05-01

    Here we investigated absorption and fluorescence properties of chromophoric dissolved organic matter (CDOM) in 15 alpine lakes located below or above the tree line to determine its source and composition. The results indicate that the concentrations of CDOM in below-tree-line lakes are significantly higher than in above-tree-line lakes, as evidenced from the absorption coefficients of a250 and a365. The intensities of the protein-like and humic-like fluorescence in below-tree-line lakes are higher than in above-tree-line lakes as well. Three fluorescent components were identified using parallel factor analysis (PARAFAC) modelling. Component 1 is probably associated with biological degradation of terrestrial humic component. The terrestrial humic-like component 2 is only found in below-tree-line lakes. The protein-like or phenolic component 3 is dominant in above-tree-line lakes, which is probably more derived from autochthonous origin. In this study, (1) higher a250/a365 and S275-295 values indicate smaller molecular weights of CDOM in above-tree-line lakes than in below-tree-line lakes, and smaller molecular weights at the surface than at 2.0 m depth; (2) SUVA254 and FI255 results provide evidence of lower percent aromaticity of CDOM in above-tree-line lakes; and (3) FI310 and FI370 suggest a strong allochthonous origin at the surface in below-tree-line lakes, and more contribution from autochthonous biological and aquatic bacterial origin in above-tree-line lakes.

  20. Characterizing chromophoric dissolved organic matter in Lake Tianmuhu and its catchment basin using excitation-emission matrix fluorescence and parallel factor analysis.

    Science.gov (United States)

    Zhang, Yunlin; Yin, Yan; Feng, Longqing; Zhu, Guangwei; Shi, Zhiqiang; Liu, Xiaohan; Zhang, Yuanzhi

    2011-10-15

    Chromophoric dissolved organic matter (CDOM) is an important optically active substance that transports nutrients, heavy metals, and other pollutants from terrestrial to aquatic systems and is used as a measure of water quality. To investigate how the source and composition of CDOM changes in both space and time, we used chemical, spectroscopic, and fluorescence analyses to characterize CDOM in Lake Tianmuhu (a drinking water source) and its catchment in China. Parallel factor analysis (PARAFAC) identified three individual fluorophore moieties that were attributed to humic-like and protein-like materials in 224 water samples collected between December 2008 and September 2009. The upstream rivers contained significantly higher concentrations of CDOM than did the lake water (a(350) of 4.27±2.51 and 2.32±0.59 m(-1), respectively), indicating that the rivers carried a substantial load of organic matter to the lake. Of the three main rivers that flow into Lake Tianmuhu, the Pingqiao River brought in the most CDOM from the catchment to the lake. CDOM absorption and the microbial and terrestrial humic-like components, but not the protein-like component, were significantly higher in the wet season than in other seasons, indicating that the frequency of rainfall and runoff could significantly impact the quantity and quality of CDOM collected from the catchment. The different relationships between the maximum fluorescence intensities of the three PARAFAC components, CDOM absorption, and chemical oxygen demand (COD) concentration in riverine and lake water indicated the difference in the composition of CDOM between Lake Tianmuhu and the rivers that feed it. This study demonstrates the utility of combining excitation-emission matrix fluorescence and PARAFAC to study CDOM dynamics in inland waters. Copyright © 2011 Elsevier Ltd. All rights reserved.

  1. Field-scale assessment of phytotreatment of soil contaminated with weathered hydrocarbons and heavy metals

    Energy Technology Data Exchange (ETDEWEB)

    Palmroth, M.R.T.; Koskinen, P.E.P.; Tuhkanen, T.A.; Puhakka, J.A. [Inst. of Environmental Engineering and Biotechnology, Tampere Univ. of Tech., Tampere (Finland); Pichtel, J. [Natural Resources and Environmental Management, Ball State Univ., Muncie, IN (United States); Vaajasaari, K. [Pirkanmaa Regional Environment Centre, Tampere (Finland); Joutti, A. [Finnish Environment Inst., Helsinki (Finland)

    2006-08-15

    Background, Aims, and Scope. Phytoremediation is remediation method which uses plants to remove, contain or detoxify environmental contaminants. Phytoremediation has successfully been applied for the removal of fresh hydrocarbon contamination, but removal of aged hydrocarbons has proven more difficult. Biodegradation of hydrocarbons in the subsurface can be enhanced by the presence of plant roots, i.e. the rhizosphere effect. Phytostabilization reduces heavy metal availability via immobilization in the rhizosphere. Soils contaminated by both hydrocarbons and heavy metals are abundant and may be difficult to treat. Heavy metal toxicity can inhibit the activity of hydrocarbon-degrading micro-organisms and decrease the metabolic diversity of soil bacteria. In this experiment, weathered hydrocarbon- and heavy metal-contaminated soil was treated using phytoremediation in a 39-month field study in attempts to achieve both hydrocarbon removal and heavy metal stabilization. Methods. A combination of hydrocarbon degradation and heavy metal stabilization was evaluated in a field-scale phytoremediation study of weathered contaminants. Soil had been contaminated over several years with hydrocarbons (11,400{+-}4,300 mg kg dry soil){sup -1} and heavy metals from bus maintenance activities and was geologically characterized as till. Concentrations of soil copper, lead and zinc were 170{+-}50 mgkg{sup -1}, 1,100{+-}1,500 mg kg{sup -1} and 390{+-} 340 mg kg{sup -1}, respectively. The effect of contaminants, plant species and soil amendment (NPK fertilizer or biowaste compost) on metabolic activity of soil microbiota was determined. Phytostabilization performance was investigated by analyses of metal concentrations in plants, soil and site leachate as well as acute toxicity to Vibrio fischeri and Enchtraeus albidus. Results. Over 39 months hydrocarbon concentrations did not decrease significantly (P=0.05) in non-amended soil, although 30% of initial hydrocarbon concentrations were

  2. Detection of irradiated meats by hydrocarbon method

    International Nuclear Information System (INIS)

    Goto, Michiko; Miyakawa, Hiroyuki; Fujinuma, Kenji; Ozawa, Hideki

    2005-01-01

    Meats, for example, lamb, razorback, wild duck and turkey were irradiated by gamma ray, and the amounts of hydrocarbons formed from fatty acids were measured. Since C 20:0 was found from wild duck and turkey. C 1-18:1 was recommended for internal standard. Good correlation was found between the amount of hydrocarbons and the doses of gamma irradiation. This study shows that such hydrocarbons induced after radiation procedure as C 1,7-16:2 , C 8-17:1 , C 1-14:1 , and C 15:0 may make it possible to detect irradiated lamb, razorback, wild duck and turkey. (author)

  3. Process for recovery of liquid hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Millar, J.F.; Cockshott, J.E.

    1978-04-11

    Methane is recovered as a gas for discharge to a pipeline from a gas stream containing methane and heavier hydrocarbons, principally ethane and propane. Separation is accomplished by condensing the heavier hydrocarbons and distilling the methane therefrom. A liquid product (LPG) comprising the heavier hydrocarbons is subsequently recovered and transferred to storage. Prior to being discharged to a pipeline, the recovered methane gas is compressed and in undergoing compression the gas is heated. The heat content of the gas is employed to reboil the refrigerant in an absorption refrigeration unit. The refrigeration unit is used to cool the LPG prior to its storage.

  4. Method of recovering hydrocarbons from oil shale

    Energy Technology Data Exchange (ETDEWEB)

    Walton, D.K.; Slusser, M.S.

    1970-11-24

    A method is described for recovering hydrocarbons from an oil-shale formation by in situ retorting. A well penetrating the formation is heated and gas is injected until a pressure buildup within the well is reached, due to a decrease in the conductivity of naturally occurring fissures within the formation. The well is then vented, in order to produce spalling of the walls. This results in the formation of an enlarged cavity containing rubberized oil shale. A hot gas then is passed through the rubberized oil shale in order to retort hydrocarbons and these hydrocarbons are recovered from the well. (11 claims)

  5. The offshore hydrocarbon releases (HCR) database

    International Nuclear Information System (INIS)

    Bruce, R.A.P.

    1995-01-01

    Following Cullen Recommendation 39 which states that: ''The regulatory body should be responsible for maintaining a database with regard to hydrocarbon leaks, spills, and ignitions in the Industry and for the benefit of Industry'', HSE Offshore Safety Division (HSE-OSD) has now been operating the Hydrocarbon Releases (HCR) Database for approximately 3 years. This paper deals with the reporting of Offshore Hydrocarbon Releases, the setting up of the HCR Database, the collection of associated equipment population data, and the main features and benefits of the database, including discussion on the latest output information. (author)

  6. Waste Plastic Converting into Hydrocarbon Fuel Materials

    Energy Technology Data Exchange (ETDEWEB)

    Sarker, Moinuddin; Mamunor Rashid, Mohammad; Molla, Mohammad

    2010-09-15

    The increased demand and high prices for energy sources are driving efforts to convert organic compounds into useful hydrocarbon fuels. Although much of this work has focused on biomass, there are strong benefits to deriving fuels from waste plastic material. Natural State Research Inc. (NSR) has invented a simple and economically viable process to decompose the hydrocarbon polymers of waste plastic into the shorter chain hydrocarbon of liquid fuel (patent pending). The method and principle of the production / process will be discussed. Initial tests with several widely used polymers indicate a high potential for commercialization.

  7. Conversion of hydrocarbon oils into motor fuels

    Energy Technology Data Exchange (ETDEWEB)

    1937-11-09

    The abstract describes a process for producing lower boiling hydrocarbon motor fuels with a starting material of wide boiling range composed primarily of hydrocarbon oils boiling substantially above the boiling range of the desired product. Separate catalytic and pyrolytic conversion zones are simultaneously maintained in an interdependent relationship. Higher boiling constituents are separated from residual constituents by fractionation while desirable reaction conditions are maintained. All or at least a portion of the products from the catalytic and pyrolytic conversion zones are blended to yield the desired lower boiling hydrocarbons or motor fuels.

  8. Improvements in the biotreatment of soil contaminated by heavy hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Paquin, J. [Sanexen Environmental Services Inc., Varennes, PQ (Canada)

    2006-07-01

    This presentation discussed improvements in the biotreatment of soil contaminated by heavy hydrocarbons. The presentation provided information on the background for the investigation such as: difficulty for biotreatment in soil to deal with heavy weathered hydrocarbons and fine grained soils; the involvement of the Montreal Centre of Excellence for Brownfield Remediation (MCEBR) to develop state of the art environmental solutions; and, the selection of Sanexen as the organization with the best price and best performance warranty to perform the required decontamination. The objectives of the study were to improve the performance of biotreatment of soil contaminated with heavy petroleum hydrocarbons; reduce soil biotreatment costs by 30 per cent; improve knowledge and understanding for this type of treatment; and, better identify constraints and optimal strategies in view of these constraints. Specific objectives that were discussed included: improving the microbial flora, attaining a favorable soil temperature at a low cost, identifying the best amendments for bulking of soil, increasing bio-availability of the contaminants, and identifying optimal mechanical handling of the soil. The presentation discussed soils treated; research and development carried out; standard method of biotreatment; alternative methods tested; initial investigation by the MCEBR; pilot test carried out by Sanexen; and, results of the pilot test. As part of the research program with MCEBR, soils that received different amendments were tested at the Biotechnology Research Institute (BRI) of the National Research Council for their ability to degrade added hexadecane and naphthalene. Soil at various stages of the treatment was also sampled and tested by the (BRI). It was concluded that the biotreatment of heavy hydrocarbons in fine grained soils is feasible and that the techniques used reduced biotreatment costs by approximately 25 per cent.

  9. Removal of Chromophore-proximal Polar Atoms Decreases Water Content and Increases Fluorescence in a Near Infrared Phytofluor

    Directory of Open Access Journals (Sweden)

    Heli eLehtivuori

    2015-11-01

    Full Text Available Genetically encoded fluorescent markers have revolutionized cell and molecular biology due to their biological compatibility, controllable spatiotemporal expression, and photostability. To achieve in vivo imaging in whole animals, longer excitation wavelength probes are needed due to the superior ability of near infrared light to penetrate tissues unimpeded by absorbance from biomolecules or autofluorescence of water. Derived from near infrared-absorbing bacteriophytochromes, phytofluors are engineered to fluoresce in this region of the electromagnetic spectrum, although high quantum yield remains an elusive goal. An invariant aspartate residue is of utmost importance for photoconversion in native phytochromes, presumably due to the proximity of its backbone carbonyl to the pyrrole ring nitrogens of the biliverdin (BV chromophore as well as the size and charge of the side chain. We hypothesized that the polar interaction network formed by the charged side chain may contribute to the decay of the excited state via proton transfer. Thus, we chose to further probe the role of this amino acid by removing all possibility for polar interactions with its carboxylate side chain by incorporating leucine instead. The resultant fluorescent protein, WiPhy2, maintains BV binding, monomeric status, and long maximum excitation wavelength while minimizing undesirable protoporphyrin IXα binding in cells. A crystal structure and time-resolved fluorescence spectroscopy reveal that water near the BV chromophore is excluded and thus validate our hypothesis that removal of polar interactions leads to enhanced fluorescence by increasing the lifetime of the excited state. This new phytofluor maintains its fluorescent properties over a broad pH range and does not suffer from photobleaching. WiPhy2 achieves the best compromise to date between high fluorescence quantum yield and long illumination wavelength in this class of fluorescent proteins.

  10. Cyclometalated N-heterocyclic carbene iridium(iii) complexes with naphthalimide chromophores: a novel class of phosphorescent heteroleptic compounds.

    Science.gov (United States)

    Lanoë, Pierre-Henri; Chan, Jonny; Groué, Antoine; Gontard, Geoffrey; Jutand, Anny; Rager, Marie-Noelle; Armaroli, Nicola; Monti, Filippo; Barbieri, Andrea; Amouri, Hani

    2018-03-06

    A series of cyclometalated N-heterocyclic carbene complexes of the general formula [Ir(C^N) 2 (C^C:)] has been prepared. Two sets of compounds were designed, those where (C^C:) represents a bidentate naphthalimide-substituted imidazolylidene ligand and (C^N) = ppy (3a), F2ppy (4a), bzq (5a) and those where (C^C:) represents a naphthalimide-substituted benzimidazolylidene ligand and (C^N) = ppy (3b), F2ppy (4b), bzq (5b). The naphthalimide-imidazole and naphthalimide-benzimidazole ligands 1a,b and the related imidazolium and benzimidazolium salts 2a,b were also prepared and fully characterized. The N-heterocyclic carbene Ir(iii) complexes have been characterized by NMR spectroscopy, cyclic voltammetry and elemental analysis. Moreover, the molecular structures of one imidazolium salt and four Ir(iii) complexes were determined by single-crystal X-ray diffraction. The structures provide us with valuable information, most notably the orientation of the naphthalimide chromophore with respect to the N-heterocyclic carbene moiety. All compounds are luminescent at room temperature and in a frozen solvent at 77 K, exhibiting a broad emission band that extends beyond 700 nm. The presence of the naphthalimide moiety changes the character of the lowest excited state from 3 MLCT to 3 LC, as corroborated by DFT and TD-DFT calculations. Remarkably, replacing imidazole with a benzimidazole unit improves the quantum yields of these compounds by decreasing the k nr values which is an important feature for optimized emission performance. These studies provide valuable insights about a novel class of N-heterocyclic carbene-based luminescent complexes containing organic chromophores and affording metal complexes emitting across the red-NIR range.

  11. Image analysis of skin color heterogeneity focusing on skin chromophores and the age-related changes in facial skin.

    Science.gov (United States)

    Kikuchi, Kumiko; Masuda, Yuji; Yamashita, Toyonobu; Kawai, Eriko; Hirao, Tetsuji

    2015-05-01

    Heterogeneity with respect to skin color tone is one of the key factors in visual perception of facial attractiveness and age. However, there have been few studies on quantitative analyses of the color heterogeneity of facial skin. The purpose of this study was to develop image evaluation methods for skin color heterogeneity focusing on skin chromophores and then characterize ethnic differences and age-related changes. A facial imaging system equipped with an illumination unit and a high-resolution digital camera was used to develop image evaluation methods for skin color heterogeneity. First, melanin and/or hemoglobin images were obtained using pigment-specific image-processing techniques, which involved conversion from Commission Internationale de l'Eclairage XYZ color values to melanin and/or hemoglobin indexes as measures of their contents. Second, a spatial frequency analysis with threshold settings was applied to the individual images. Cheek skin images of 194 healthy Asian and Caucasian female subjects were acquired using the imaging system. Applying this methodology, the skin color heterogeneity of Asian and Caucasian faces was characterized. The proposed pigment-specific image-processing techniques allowed visual discrimination of skin redness from skin pigmentation. In the heterogeneity analyses of cheek skin color, age-related changes in melanin were clearly detected in Asian and Caucasian skin. Furthermore, it was found that the heterogeneity indexes of hemoglobin were significantly higher in Caucasian skin than in Asian skin. We have developed evaluation methods for skin color heterogeneity by image analyses based on the major chromophores, melanin and hemoglobin, with special reference to their size. This methodology focusing on skin color heterogeneity should be useful for better understanding of aging and ethnic differences. © 2014 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  12. Radiolysis of hydrocarbons in liquid phase (Modern state of problem)

    International Nuclear Information System (INIS)

    Saraeva, V.V.

    1986-01-01

    Problems of ionizing radiation effect on hydrocarbons and hydrocarbon systems in a liquid phase are considered. Modern representations on the mechanism of hydrocarbon radiolysis are presented. Electron moderation and ion-electron pair formation, behaviour of charged particles, excited states, radical formation and their reactions are discussed. Behaviour of certain hydrocarbon classes: alkanes, cyclic hydrocarbons, olefines, aromatic hydrocarbons as well as different hydrocarbon mixtures is considered in detail. Radiation-chemical changes in organic coolants and ways of increasing radiation resistance are considered. Polyphenyl compounds are noted to be most perspective here

  13. Method for the conversion of hydrocarbon charges

    Energy Technology Data Exchange (ETDEWEB)

    Whittam, T V

    1976-11-11

    The basis of the invention is the application of defined zeolites as catalysts to hydrocarbon conversion processes such as reformation, isomerization, dehydrocyclization, and cracking. By charging the zeolite carrier masses with 0.001 to 5% metal of the 8th group of the periodic system, preferably noble metals, a wide region of applications for the catalysts is achieved. A method for the isomerization of an alkyl benzene (or mixture of alkyl benzenes) in the liquid or gas phase under suitable temperature, pressure and flow-rate conditions, as well as in the presence of a cyclic hydrocarbon, is described as preferential model form of the invention; furthermore, a method for the reformation of a hydrocarbon fraction boiling in the gasoline or benzene boiling region and a method for the hydrocracking of hydrocarbon charge (e.g. naphtha, kerosine, gas oils) are given. Types of performance of the methods are explained using various examples.

  14. Using microorganisms to aid in hydrocarbon degradation

    International Nuclear Information System (INIS)

    Black, W.; Zamora, J.

    1993-01-01

    Aliphatic hydrocarbons are threatening the potable water supply and the aquatic ecosystem. Given the right microbial inhabitant(s), a large portion of these aliphatic hydrocarbons could be biodegraded before reaching the water supply. The authors' purpose is to isolate possible oil-degrading organisms. Soil samples were taken from hydrocarbon-laden soils at petroleum terminals, a petroleum refinery waste-treatment facility, a sewage-treatment plant grease collector, a site of previous bioremediation, and various other places. Some isolates known to be good degraders were obtained from culture collection services. These samples were plated on a 10w-30 multigrade motor oil solid medium to screen for aliphatic hydrocarbon degraders. The degrading organisms were isolated, identified, and tested (CO 2 evolution, BOD, and COD) to determine the most efficient degrader(s). Thirty-seven organisms were tested, and the most efficient degraders were Serratia marcescens, Escherichia coli, and Enterobacter agglomerans

  15. Volatilisation of aromatic hydrocarbons from soil

    DEFF Research Database (Denmark)

    Lindhardt, B.; Christensen, T.H.

    1996-01-01

    The non-steady-state fluxes of aromatic hydrocarbons were measured in the laboratory from the surface of soils contaminated with coal tar Four soil samples from a former gasworks site were used for the experiments. The fluxes were quantified for 11 selected compounds, 4 mono- and 7 polycyclic...... aromatic hydrocarbons, for a period of up to 8 or 16 days. The concentrations of the selected compounds in the soils were between 0.2 and 3,100 mu g/g. The study included the experimental determination of the distribution coefficient of the aromatic hydrocarbons between the sorbed phase and the water under...... saturated conditions. The determined distribution coefficients showed that the aromatic hydrocarbons were more strongly sorbed to the total organic carbon including the coal tar pitch - by a factor of 8 to 25 - than expected for natural organic matter. The fluxes were also estimated using an analytical...

  16. Recovering low-boiling hydrocarbons, etc

    Energy Technology Data Exchange (ETDEWEB)

    Pier, M

    1934-10-03

    A process is described for the recovery of low-boiling hydrocarbons of the nature of benzine through treatment of liquid carbonaceous materials with hydrogen under pressure at raised temperature, suitably in the presence of catalysts. Middle oils (practically saturated with hydrogen) or higher boiling oils at a temperature above 500/sup 0/ (with or without the addition of hydrogen) containing cyclic hydrocarbons not saturated with hydrogen are changed into low boiling hydrocarbons of the nature of benzine. The cracking takes place under strongly hydrogenating conditions (with the use of a strongly active hydrogenating catalyst or high pressure) at temperatures below 500/sup 0/. If necessary, the constituents boiling below 200/sup 0/ can be reconverted into cyclic hydrocarbons partially saturated with hydrogen. (BLM)

  17. Determination of polynuclear aromatic hydrocarbons (PAHs) in ...

    African Journals Online (AJOL)

    AJB SERVER

    2006-11-02

    Nov 2, 2006 ... Several water bodies in the Niger Delta region of Nigeria where extensive crude oil ..... hydrocarbons (PAHs) in fish from the Red Sea Coast of Yemem. ... smoked meat products and smoke flavouring food additives. J.

  18. Population dynamics and distribution of hydrocarbon utilizing ...

    African Journals Online (AJOL)

    Bacillus species was found to be present in all the soil samples analysed ... The presence of these organisms in soils contaminated with spent and unspent lubricating oil ... hydrocarbon utilizing bacteria, bioremediation, enrichment medium,

  19. Collision data involving hydro-carbon molecules

    International Nuclear Information System (INIS)

    Tawara, H.; Itikawa, Y.; Nishimura, H.; Tanaka, H.; Nakamura, Y.

    1990-07-01

    Hydro-carbon molecules are abundantly produced when graphites are used as internal wall materials of hydrogen plasmas and strongly influence properties of low temperature plasmas near the edges as well as those of high temperature plasmas at the center. In this report, following simple description of the production mechanisms of hydro-carbon molecules under the interactions between graphite and hydrogen plasma, the present status of collision data for hydro-carbon molecules by electron impact is discussed and the relevant data are summarized in a series of figures and tables. It should also be noted that, in addition to fusion plasmas, these hydrocarbon data compiled here are quite useful in other applications such as plasma chemistry and material processing. (author)

  20. Possibilities of rationalizing gas storage in hydrocarbon deposits

    International Nuclear Information System (INIS)

    Stricker; Gilch; Kretzschmar

    1990-01-01

    A number of criteria on the utilization of gas fields for storage and major methods for rationalizing such storage reservoirs (such as pressure optimization and increase of well performance) are indicated. The pressure reduction/ pressure increase conducted in phases and the investigations involved are discussed in detail. In particular, experiences and results for fixing the maximum allowable storage pressures are analyzed critically. Problems of gas blending in case of different compositions of residual gas and storage gas are dealt with. Finally, some recommendations are given for the necessary investigations to increase efficiency in the conversion of depleted hydrocarbon deposits to gas storage. 3 figs