Fiscal 1997 report on the results of the international research cooperation project for a feasibility survey for finding out seeds of the international joint research. Effective use technology of saturated hydrocarbon (technology against the surplus aromatic hydrocarbon/technology of high grade treatment of petroleum coke); 1997 nendo kokusai kenkyu kyoryoku jigyo (kokusai kyodo kenkyu seeds hakkutsu no tame no FS chosa). Howa tanka suiso no yuko riyo gijutsu / hokozoku tanka suiso no yojo taisaku gijutsu / sekiyu cokes no kodo shori gijutsu seika hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1998-03-01

For the purpose of the effective international research cooperation, the paper surveyed in fiscal 1997 the effective use technology of saturated hydrocarbon, technology against the surplus aromatic hydrocarbon and technology of high grade treatment of petroleum coke. In the survey of the effective use technology of saturated hydrocarbon, trends of FT synthesis technology and DME synthesis technology were studied as trends of technology to produce synthetic gas, and a project was proposed for technical development of using natural gas as liquid fuel in Japan. In the survey of technology against the surplus aromatic hydrocarbon, studied were the benzene law regulation and the supply/demand trend of aromatic hydrocarbon, process to reduce production of aromatic hydrocarbon as much as possible, process to reduce aromatics of the produced petroleum products, and process to effectively use aromatic hydrocarbon as chemical raw material. In the survey of high grade treatment of petroleum coke, studied were a possibility of using HS petroleum coke in the DIOS method, iron bath gasification, and copper bath gasification technology. 108 refs., 146 figs., 103 tabs.

Benzo-thia-fused [n]Thienoacenequinodimethanes with Small to Moderate Diradical Characters: The Role of Pro-aromaticity versus Anti-aromaticity

KAUST Repository

Shi, Xueliang

2016-01-19

Open-shell singlet diradicaloids recently have received much attention due to their unique optical, electronic and magnetic properties and promising applications in materials science. Among various diradicaloids, quinoidal π-conjugated molecules have become the prevailing designs. However, there still lacks fundamental understanding on how the fusion mode and pro-aromaticity/anti-aromaticity affect their diradical character and physical properties. In this work, a series of pro-aromatic benzo-thia-fused [n]thienoacenequinodimethanes (Thn-TIPS (n=1-3) and BDTh-TIPS) were synthesized and compared with the previously reported anti-aromatic bisindeno-[n]thienoacenes (Sn-TIPS, n=1-4). The ground-state geometric and electronic structures of these new quinoidal molecules were systematically investigated by X-ray crystallographic analysis, variable temperature NMR, ESR, SQUID, Raman, and electronic absorption spectroscopy, assisted by DFT calculations. It was found that the diradical character index (y0) increased from nearly zero for Th1-TIPS to 2.4% for Th2-TIPS, 18.2% for Th3-TIPS, and 38.2% for BDTh-TIPS, due to the enhanced aromatic stabilization. Consequently, with the extension of molecular size, the one-photon absorption spectra are gradually red-shifted, the two-photon absorption (TPA) cross section values increase, and the singlet excited state lifetimes decrease. By comparison with the corresponding anti-aromatic analogues Sn-TIPS (n=1-3), the pro-aromatic Thn-TIPS (n=1-3) exhibit larger diradical character, longer singlet excited state lifetime and larger TPA cross section value. At the same time, they display distinctively different electronic absorption spectra and improved electrochemical amphotericity. Spectroelectrochemical studies revealed a good linear relationship between the optical energy gaps and the molecular length in the neutral, radical cationic and dicationic forms. Our research work disclosed the significant difference between the pro-aromatic

Benzo-thia-fused [n]Thienoacenequinodimethanes with Small to Moderate Diradical Characters: The Role of Pro-aromaticity versus Anti-aromaticity

KAUST Repository

Shi, Xueliang; Quintero, EstefanÍ a; Lee, Sangsu; Jing, Linzhi; Herng, Tun Seng; Zheng, Bin; Huang, Kuo-Wei; Ló pez Navarrete, Juan T.; Ding, Jun; Kim, Dongho; Casado, Juan; Chi, Chunyan

2016-01-01

Open-shell singlet diradicaloids recently have received much attention due to their unique optical, electronic and magnetic properties and promising applications in materials science. Among various diradicaloids, quinoidal π-conjugated molecules have become the prevailing designs. However, there still lacks fundamental understanding on how the fusion mode and pro-aromaticity/anti-aromaticity affect their diradical character and physical properties. In this work, a series of pro-aromatic benzo-thia-fused [n]thienoacenequinodimethanes (Thn-TIPS (n=1-3) and BDTh-TIPS) were synthesized and compared with the previously reported anti-aromatic bisindeno-[n]thienoacenes (Sn-TIPS, n=1-4). The ground-state geometric and electronic structures of these new quinoidal molecules were systematically investigated by X-ray crystallographic analysis, variable temperature NMR, ESR, SQUID, Raman, and electronic absorption spectroscopy, assisted by DFT calculations. It was found that the diradical character index (y0) increased from nearly zero for Th1-TIPS to 2.4% for Th2-TIPS, 18.2% for Th3-TIPS, and 38.2% for BDTh-TIPS, due to the enhanced aromatic stabilization. Consequently, with the extension of molecular size, the one-photon absorption spectra are gradually red-shifted, the two-photon absorption (TPA) cross section values increase, and the singlet excited state lifetimes decrease. By comparison with the corresponding anti-aromatic analogues Sn-TIPS (n=1-3), the pro-aromatic Thn-TIPS (n=1-3) exhibit larger diradical character, longer singlet excited state lifetime and larger TPA cross section value. At the same time, they display distinctively different electronic absorption spectra and improved electrochemical amphotericity. Spectroelectrochemical studies revealed a good linear relationship between the optical energy gaps and the molecular length in the neutral, radical cationic and dicationic forms. Our research work disclosed the significant difference between the pro-aromatic

Partially to fully saturated flow through smooth, clean, open fractures: qualitative experimental studies

Science.gov (United States)

Jones, Brendon R.; Brouwers, Luke B.; Dippenaar, Matthys A.

2018-05-01

Fractures are both rough and irregular but can be expressed by a simple model concept of two smooth parallel plates and the associated cubic law governing discharge through saturated fractures. However, in natural conditions and in the intermediate vadose zone, these assumptions are likely violated. This paper presents a qualitative experimental study investigating the cubic law under variable saturation in initially dry free-draining discrete fractures. The study comprised flow visualisation experiments conducted on transparent replicas of smooth parallel plates with inlet conditions of constant pressure and differing flow rates over both vertical and horizontal inclination. Flow conditions were altered to investigate the influence of intermittent and continuous influx scenarios. Findings from this research proved, for instance, that saturated laminar flow is not likely achieved, especially in nonhorizontal fractures. In vertical fractures, preferential flow occupies the minority of cross-sectional area despite the water supply. Movement of water through the fractured vadose zone therefore becomes a matter of the continuity principle, whereby water should theoretically be transported downward at significantly higher flow rates given the very low degree of water saturation. Current techniques that aim to quantify discrete fracture flow, notably at partial saturation, are questionable. Inspired by the results of this study, it is therefore hypothetically improbable to achieve saturation in vertical fractures under free-draining wetting conditions. It does become possible under extremely excessive water inflows or when not free-draining; however, the converse is not true, as a wet vertical fracture can be drained.

Partially to fully saturated flow through smooth, clean, open fractures: qualitative experimental studies

Science.gov (United States)

Jones, Brendon R.; Brouwers, Luke B.; Dippenaar, Matthys A.

2017-11-01

Fractures are both rough and irregular but can be expressed by a simple model concept of two smooth parallel plates and the associated cubic law governing discharge through saturated fractures. However, in natural conditions and in the intermediate vadose zone, these assumptions are likely violated. This paper presents a qualitative experimental study investigating the cubic law under variable saturation in initially dry free-draining discrete fractures. The study comprised flow visualisation experiments conducted on transparent replicas of smooth parallel plates with inlet conditions of constant pressure and differing flow rates over both vertical and horizontal inclination. Flow conditions were altered to investigate the influence of intermittent and continuous influx scenarios. Findings from this research proved, for instance, that saturated laminar flow is not likely achieved, especially in nonhorizontal fractures. In vertical fractures, preferential flow occupies the minority of cross-sectional area despite the water supply. Movement of water through the fractured vadose zone therefore becomes a matter of the continuity principle, whereby water should theoretically be transported downward at significantly higher flow rates given the very low degree of water saturation. Current techniques that aim to quantify discrete fracture flow, notably at partial saturation, are questionable. Inspired by the results of this study, it is therefore hypothetically improbable to achieve saturation in vertical fractures under free-draining wetting conditions. It does become possible under extremely excessive water inflows or when not free-draining; however, the converse is not true, as a wet vertical fracture can be drained.

Exact expression for the effective acoustics of patchy-saturated rocks

NARCIS (Netherlands)

Vogelaar, B.; Smeulders, D.M.J.; Harris, J.

2010-01-01

Seismic effects of a partially gas-saturated subsurface have been known for many years. For example, patches of nonuniform saturation occur at the gas-oil and gas-water contacts in hydrocarbon reservoirs. Open-pore boundary conditions are applied to the quasi-static Biot equations of poroelasticity

Sorption of polycyclic aromatic hydrocarbons (PAH) during the filtration of water samples

International Nuclear Information System (INIS)

Herbert, M.; Schueth, C.; Pyka, W.

1992-01-01

Filtration experiments were preformed for three selected polycyclic aromatic hydrocarbons (PAH-Fluorene, Fluoranthene and Benz(b)-fluoranthene) dissolved in water by varying filter materials, filter-pore sizes and filter equipment. The rate of recovery of PAH depended on the materials and methods applied. Organic filter materials showed a by far stronger sorption than inorganic materials. The losses for organic filters increased up to 100% with decreasing pore-size. The percentage loss was observed to increase with increasing octanol-water distribution coefficient (K OW ). Saturation tests revealed that the amount of water, necessary to saturate the filtration apparatus with and without filter-paper, also increased with the K OW . For BBF several liters would be necessary for saturation. It can be concluded, that the filtration of water samples, analysed for PAH, can lead to considerable errors in the analytical results, particularly for those PAH with log K OW larger than 5. (orig.)

Optimization of pressurized liquid extraction (PLE) for rapid determination of mineral oil saturated (MOSH) and aromatic hydrocarbons (MOAH) in cardboard and paper intended for food contact.

Science.gov (United States)

Moret, Sabrina; Sander, Maren; Purcaro, Giorgia; Scolaro, Marianna; Barp, Laura; Conte, Lanfranco S

2013-10-15

Packaging can represent a primary source of food contamination with mineral oil saturated hydrocarbons (MOSH) and aromatic hydrocarbons (MOAH), especially when recycled cardboard or mineral oil based printing inks are used. A pressurized liquid extraction (PLE) method, followed by on-line LC-GC analysis, has been optimized for rapid mineral oil determination in cardboard and paper samples. The proposed method involves extraction with hexane (2 cycles) at 60°C for 5 min, and allows for the processing of up to 6 samples in parallel with minimal sample manipulation and solvent consumption. It gave good repeatability (coefficient of variation lower than 5%) and practically quantitative extraction yield (less than 2% of the total contamination found in a third separate cycle). The method was applied to different cardboards and paper materials intended for food contact. Results obtained were similar to those obtained by applying classical solvent extraction with hexane/ethanol 1:1 (v/v) as described by Lorenzini et al. [20]. Copyright © 2013 Elsevier B.V. All rights reserved.

Saturable absorption in detonation nanodiamond dispersions

Science.gov (United States)

Vanyukov, Viatcheslav; Mikheev, Gennady; Mogileva, Tatyana; Puzyr, Alexey; Bondar, Vladimir; Lyashenko, Dmitry; Chuvilin, Andrey

2017-07-01

We report on a saturable absorption in aqueous dispersions of nanodiamonds with femtosecond laser pulse excitation at a wavelength of 795 nm. The open aperture Z-scan experiments reveal that in a wide range of nanodiamond particle sizes and concentrations, a light-induced increase of transmittance occurs. The transmittance increase originates from the saturation of light absorption and is associated with a light absorption at 1.5 eV by graphite and dimer chains (Pandey dimer chains). The obtained key nonlinear parameters of nanodiamond dispersions are compared with those of graphene and carbon nanotubes, which are widely used for the mode-locking.

Dependence of diameters and oxygen saturation of retinal vessels on visual field damage and age in primary open-angle glaucoma.

Science.gov (United States)

Ramm, Lisa; Jentsch, Susanne; Peters, Sven; Sauer, Lydia; Augsten, Regine; Hammer, Martin

2016-05-01

To investigate the interrelationship between the oxygen supply of the retina and its regulation with the severity of primary open-angle glaucoma (POAG). Central retinal artery (CRAE) and vein (CRVE) diameters and oxygen saturation of peripapillary retinal vessels in 41 patients suffering from POAG (64.1 ± 12.9 years) and 40 healthy volunteers (63.6 ± 14.1 years) were measured using the retinal vessel analyzer. All measures were taken before and during flicker light stimulation. The mean retinal nerve fiber layer thickness (RNFLT) was determined by OCT and the visual field mean defect (MD) was identified using perimetry. In glaucoma patients, CRAE (r = -0.48 p = 0.002) and CRVE (r = -0.394 p = 0.014) at baseline were inversely related to MD, while arterial and venous oxygen saturation showed no significant dependence on the severity of the damage. However, the flicker light-induced change in arterio-venous difference in oxygen saturation was correlated with the MD (r = 0.358 p = 0.027). The diameters of arteries and veins at baseline decreased with reduction of the mean RNFLT (arteries: r = 0.718 p field loss, may be explained by a reduction of the retinal metabolic demand with progressive loss of neuronal tissue in glaucoma. © 2015 Acta Ophthalmologica Scandinavica Foundation. Published by John Wiley & Sons Ltd.

Sensory and aromatic characteristics of tongue sole by-products hydrolysates (Cynoglossus senegalensis)

OpenAIRE

Sylla, K. S. B.; Berge, Jean-pascal; Prost, Carole; Musabyemariya, B.; Seydi, Mg

2009-01-01

Tongue sole by-products coming from fish-filleting plant were hydrolyzed by Protamex® protease. To identify the future application of hydrolysates, a sensory analysis was carried out.The sensory profile was performed with a jury of 14 specialized judges.11 profiles were found by this panel of tasting. In addition, the aromatic characterization revealed that 57 molecules are responsible for these odours described in sensory analysis.The description of these aromatic compounds opens potentia...

Decentralized control of discrete-time linear time invariant systems with input saturation

NARCIS (Netherlands)

Deliu, C.; Deliu, Ciprian; Malek, Babak; Roy, Sandip; Saberi, Ali; Stoorvogel, Antonie Arij

We study decentralized stabilization of discrete-time linear time invariant (LTI) systems subject to actuator saturation, using LTI controllers. The requirement of stabilization under both saturation constraints and decentralization impose obvious necessary conditions on the open-loop plant, namely

Decentralized control of discrete-time linear time invariant systems with input saturation

NARCIS (Netherlands)

Deliu, Ciprian; Deliu, C.; Malek, Babak; Roy, Sandip; Saberi, Ali; Stoorvogel, Antonie Arij

2009-01-01

We study decentralized stabilization of discrete time linear time invariant (LTI) systems subject to actuator saturation, using LTI controllers. The requirement of stabilization under both saturation constraints and decentralization impose obvious necessary conditions on the open-loop plant, namely

Energy dependent saturable and reverse saturable absorption in cube-like polyaniline/polymethyl methacrylate film

Energy Technology Data Exchange (ETDEWEB)

Thekkayil, Remyamol [Department of Chemistry, Indian Institute of Space Science and Technology, Valiamala, Thiruvananthapuram 695 547 (India); Philip, Reji [Light and Matter Physics Group, Raman Research Institute, C.V. Raman Avenue, Bangalore 560 080 (India); Gopinath, Pramod [Department of Physics, Indian Institute of Space Science and Technology, Valiamala, Thiruvananthapuram 695 547 (India); John, Honey, E-mail: honey@iist.ac.in [Department of Chemistry, Indian Institute of Space Science and Technology, Valiamala, Thiruvananthapuram 695 547 (India)

2014-08-01

Solid films of cube-like polyaniline synthesized by inverse microemulsion polymerization method have been fabricated in a transparent PMMA host by an in situ free radical polymerization technique, and are characterized by spectroscopic and microscopic techniques. The nonlinear optical properties are studied by open aperture Z-scan technique employing 5 ns (532 nm) and 100 fs (800 nm) laser pulses. At the relatively lower laser pulse energy of 5 μJ, the film shows saturable absorption both in the nanosecond and femtosecond excitation domains. An interesting switchover from saturable absorption to reverse saturable absorption is observed at 532 nm when the energy of the nanosecond laser pulses is increased. The nonlinear absorption coefficient increases with increase in polyaniline concentration, with low optical limiting threshold, as required for a good optical limiter. - Highlights: • Synthesized cube-like polyaniline nanostructures. • Fabricated polyaniline/PMMA nanocomposite films. • At 5 μJ energy, saturable absorption is observed both at ns and fs regime. • Switchover from SA to RSA is observed as energy of laser beam increases. • Film (0.1 wt % polyaniline) shows high β{sub eff} (230 cm GW{sup −1}) and low limiting threshold at 150 μJ.

Gaseous polycyclic aromatic hydrocarbon concentrations are higher in urban forests than adjacent open areas during summer but not in winter – Exploratory study

International Nuclear Information System (INIS)

Viippola, Viljami; Rantalainen, Anna-Lea; Yli-Pelkonen, Vesa; Tervo, Peatta; Setälä, Heikki

2016-01-01

While the potential of plants to uptake polycyclic aromatic hydrocarbons (PAHs) is widely acknowledged, empirical evidence of the effects of this process on local atmospheric PAH concentrations and human health is tenuous. We measured gaseous PAH concentrations using passive samplers in urban tree-covered areas and adjacent open, treeless areas in a near-road environment in Finland to gain information on the ability of urban vegetation to improve air quality. The ability of urban, mostly deciduous, vegetation to affect PAHs was season dependent: during summer, concentrations were significantly higher in tree-covered areas, while in the fall, concentrations in open areas exceeded those in tree-covered areas. During winter, concentrations in tree-covered areas were either lower or did not differ from those in open areas. Results of this study imply that the commonly believed notion that trees unequivocally improve air quality does not apply to PAHs studied here. - Highlights: • Urban tree-cover increases gaseous PAH concentrations during summertime. • Elevated PAH concentrations do not clearly correspond with vegetation properties. • Tree-cover attenuates seasonal PAH concentration fluctuation. - Higher ambient gaseous PAH concentrations were detected within urban tree cover as compared to open areas during summertime.

Effect of biomass open burning on particulate matter and polycyclic aromatic hydrocarbon concentration levels and PAH dry deposition in ambient air.

Science.gov (United States)

Chiu, Jui C; Shen, Yun H; Li, Hsing W; Chang, Shun S; Wang, Lin C; Chang-Chien, Guo P

2011-01-01

The objectives of the present study were to investigate particulate matter (PM) and polycyclic aromatic hydrocarbon (PAH) concentrations in ambient air during rice straw open burning and non-open burning periods. In the ambient air of a rice field, the mean PM concentration during and after an open burning event were 1828 and 102 μg m⁻³, respectively, which demonstrates that during a rice field open burning event, the PM concentration in the ambient air of rice field is over 17 times higher than that of the non-open burning period. During an open burning event, the mean total PAH and total toxic equivalence (BaP(eq)) concentrations in the ambient air of a rice field were 7206 ng m⁻³ and 10.3 ng m⁻³, respectively, whereas after the open burning event, they were 376 ng m⁻³ and 1.50 ng m⁻³, respectively. Open burning thus increases total PAH and total BaP(eq) concentrations by 19-fold and 6.8-fold, respectively. During a rice straw open burning event, in the ambient air of a rice field, the mean dry deposition fluxes of total PAHs and total BaP(eq) were 1222 μg m⁻² day⁻¹ and 4.80 μg m⁻² day⁻¹, respectively, which are approximately 60- and 3-fold higher than those during the non-open burning period, respectively. During the non-open burning period, particle-bound PAHs contributed 79.2-84.2% of total dry deposition fluxes (gas + particle) of total PAHs. However, an open burning event increases the contribution to total PAH dry deposition by particle-bound PAHs by up to 85.9-95.5%. The results show that due to the increased amount of PM in the ambient air resulting from rice straw open burning, particle-bound PAHs contributed more to dry deposition fluxes of total PAHs than they do during non-open burning periods. The results show that biomass (rice straw) open burning is an important PAH emission source that significantly increases both PM and PAH concentration levels and PAH dry deposition in ambient air.

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

Modified solution calorimetry approach for determination of vaporization and sublimation enthalpies of branched-chain aliphatic and alkyl aromatic compounds at T = 298.15 K

International Nuclear Information System (INIS)

Varfolomeev, Mikhail A.; Novikov, Vladimir B.; Nagrimanov, Ruslan N.; Solomonov, Boris N.

2015-01-01

Highlights: • Solution enthalpies of 18 branching-chain alkyl aromatic and aliphatic compounds in cyclohexane were measured. • Group contributions to the enthalpy of solvation due to branching and substitution in carbon chain were evaluated. • Modified solution calorimetry based approach for determination of vaporization/sublimation enthalpies was proposed. • This approach provides vaporization/sublimation enthalpies directly at T = 298.15 K. • Vaporization/sublimation enthalpies of 35 branched-chain alkyl aromatic and aliphatic compounds were determined. - Abstract: The enthalpies of solution, solvation and vaporization/sublimation are interrelated values combined in the simplest thermodynamic circle. Hence, experimental determination of vaporization/sublimation enthalpy can be substituted by experimentally simpler determination of solution enthalpy when solvation enthalpy is known. Previously it was found that solvation enthalpies of a wide range of unbranched aliphatic and aromatic solutes in saturated hydrocarbons are in good linear correlation with their molar refraction values. This allows to estimate the vaporization/sublimation enthalpy of any unbranched organic compound from its solution enthalpy in saturated hydrocarbon and molar refraction. In the present work this approach was modified for determination of vaporization/sublimation enthalpy of branched-chain alkyl aromatic and aliphatic compounds. Group contributions to the enthalpy of solvation due to the branching of carbon chain were evaluated. Enthalpies of solution at infinite dilution of 18 branched-chain aliphatic and alkyl aromatic compounds were measured at T = 298.15 K. Vaporization/sublimation enthalpies for 35 branched aliphatic and alkyl aromatic compounds were determined by using modified solution calorimetry approach. These values are in good agreement with available literature data on vaporization/sublimation enthalpies obtained by conventional methods.

Spectroscopic Diagnosis of Excited-State Aromaticity: Capturing Electronic Structures and Conformations upon Aromaticity Reversal.

Science.gov (United States)

Oh, Juwon; Sung, Young Mo; Hong, Yongseok; Kim, Dongho

2018-03-06

Aromaticity, the special energetic stability derived from cyclic [4 n + 2]π-conjugated electronic structures, has been the topic of intense interest in chemistry because it plays a critical role in rationalizing molecular stability, reactivity, and physical/chemical properties. Recently, the pioneering work by Colin Baird on aromaticity reversal, postulating that aromatic (antiaromatic) character in the ground state reverses to antiaromatic (aromatic) character in the lowest excited triplet state, has attracted much scientific attention. The completely reversed aromaticity in the excited state provides direct insight into understanding the photophysical/chemical properties of photoactive materials. In turn, the application of aromatic molecules to photoactive materials has led to numerous studies revealing this aromaticity reversal. However, most studies of excited-state aromaticity have been based on the theoretical point of view. The experimental evaluation of aromaticity in the excited state is still challenging and strenuous because the assessment of (anti)aromaticity with conventional magnetic, energetic, and geometric indices is difficult in the excited state, which practically restricts the extension and application of the concept of excited-state aromaticity. Time-resolved optical spectroscopies can provide a new and alternative avenue to evaluate excited-state aromaticity experimentally while observing changes in the molecular features in the excited states. Time-resolved optical spectroscopies take advantage of ultrafast laser pulses to achieve high time resolution, making them suitable for monitoring ultrafast changes in the excited states of molecular systems. This can provide valuable information for understanding the aromaticity reversal. This Account presents recent breakthroughs in the experimental assessment of excited-state aromaticity and the verification of aromaticity reversal with time-resolved optical spectroscopic measurements. To

One-pot synthesis of phthalazines and pyridazino-aromatics: a novel strategy for substituted naphthalenes.

Science.gov (United States)

Kessler, Simon N; Wegner, Hermann A

2012-07-06

A new one-pot strategy for the synthesis of phthalazines and pyridazino-aromatics starting from aromatic aldehydes has been developed. A variety of substituents ranging from electron withdrawing to donating is tolerated furnishing the desired 1,2-diazine in good to excellent yields. The products have been applied to the bidentate Lewis acid catalyzed inverse electron-demand Diels-Alder (IEDDA) reaction opening a novel two-step entry into substituted naphthalenes, such as Naproxen.

Estrogenic Activity of Mineral Oil Aromatic Hydrocarbons Used in Printing Inks.

Directory of Open Access Journals (Sweden)

Patrick Tarnow

Full Text Available The majority of printing inks are based on mineral oils (MOs which contain complex mixtures of saturated and aromatic hydrocarbons. Consumer exposure to these oils occurs either through direct skin contacts or, more frequently, as a result of MO migration into the contents of food packaging that was made from recycled newspaper. Despite this ubiquitous and frequent exposure little is known about the potential toxicological effects, particularly with regard to the aromatic MO fractions. From a toxicological point of view the huge amount of alkylated and unsubstituted compounds therein is reason for concern as they can harbor genotoxicants as well as potential endocrine disruptors. The aim of this study was to assess both the genotoxic and estrogenic potential of MOs used in printing inks. Mineral oils with various aromatic hydrocarbon contents were tested using a battery of in vitro assays selected to address various endpoints such as estrogen-dependent cell proliferation, activation of estrogen receptor α or transcriptional induction of estrogenic target genes. In addition, the comet assay has been applied to test for genotoxicity. Out of 15 MOs tested, 10 were found to potentially act as xenoestrogens. For most of the oils the effects were clearly triggered by constituents of the aromatic hydrocarbon fraction. From 5 oils tested in the comet assay, 2 showed slight genotoxicity. Altogether it appears that MOs used in printing inks are potential endocrine disruptors and should thus be assessed carefully to what extent they might contribute to the total estrogenic burden in humans.

Determination of 15 polycyclic aromatic hydrocarbons in aquatic products by solid-phase extraction and GC-MS.

Science.gov (United States)

Liu, Qiying; Guo, Yuanming; Sun, Xiumei; Hao, Qing; Cheng, Xin; Zhang, Lu

2018-02-22

We propose a method for the simultaneous determination of 15 kinds of polycyclic aromatic hydrocarbons in marine samples (muscle) employing gas chromatography with mass spectrometry after saponification with ultrasound-assisted extraction and solid-phase extraction. The experimental conditions were optimized by the response surface method. In addition, the effects of different lyes and extractants on polycyclic aromatic hydrocarbons extraction were discussed, and saturated sodium carbonate was first used as the primary saponification reaction and extracted with 10 mL of ethyl acetate and secondly 1 mol/L of sodium hydroxide and 10 mL of n-hexane were used to achieve better results. The average recovery was 67-112%. Satisfactory data showed that the method has good reproducibility with a relative standard deviation of <13%. The detection limits of polycyclic aromatic hydrocarbons were 0.02-0.13 ng/g. Compared with other methods, this method has the advantages of simple pretreatment, low solvent consumption, maximum polycyclic aromatic hydrocarbons extraction, the fast separation speed, and the high extraction efficiency. It is concluded that this method meets the batch processing requirements of the sample and can also be used to determine polycyclic aromatic hydrocarbons in other high-fat (fish, shrimp, crab, shellfish) biological samples. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Quinoidal Oligo(9,10-anthryl)s with Chain-Length-Dependent Ground States: A Balance between Aromatic Stabilization and Steric Strain Release

KAUST Repository

Lim, Zhenglong; Zheng, Bin; Huang, Kuo-Wei; Liu, Ye; Wu, Jishan

2015-01-01

: the large steric repulsion between the anthryl/phenyl units in the closed-shell quinoidal form that drives the molecule to a flexible open-shell diradical structure, and aromatic stabilisation due to the gain of more aromatic sextet rings in the closed

Reduced Graphene Oxide-Hybridized Polymeric High-Internal Phase Emulsions for Highly Efficient Removal of Polycyclic Aromatic Hydrocarbons from Water Matrix.

Science.gov (United States)

Huang, Yipeng; Zhang, Wenjuan; Ruan, Guihua; Li, Xianxian; Cong, Yongzheng; Du, Fuyou; Li, Jianping

2018-03-27

Reduced graphene oxide (RGO)-hybridized polymeric high-internal phase emulsions (RGO/polyHIPEs) with an open-cell structure and hydrophobicity have been successfully prepared using 2-ethylhexyl acrylate and ethylene glycol dimethacrylate as the monomer and the cross-linker, respectively. The adsorption mechanism and performance of this RGO/polyHIPEs to polycyclic aromatic hydrocarbons (PAHs) were investigated. Adsorption isotherms of PAHs on RGO/polyHIPEs show that the saturated adsorption capacity is 47.5 mg/g and the equilibrium time is 8 h. Cycling tests show that the adsorption capacity of RGO/polyHIPEs remains stable in 10 adsorption-desorption cycles without observable structure change in RGO/polyHIPEs. Moreover, the PAH residues in water samples after being purified by RGO/polyHIPEs are lower than the limit values in drinking water set by the European Food Safety Authority. These results demonstrate that the RGO/polyHIPEs have great potentiality in PAH removal and water purification.

C-N Bond Activation and Ring Opening of a Saturated N-Heterocyclic Carbene by Lateral Alkali-Metal-Mediated Metalation.

Science.gov (United States)

Hernán-Gómez, Alberto; Kennedy, Alan R; Hevia, Eva

2017-06-01

Combining alkali-metal-mediated metalation (AMMM) and N-heterocyclic carbene (NHC) chemistry, a novel C-N bond activation and ring-opening process is described for these increasingly important NHC molecules, which are generally considered robust ancillary ligands. Here, mechanistic investigations on reactions of saturated NHC SIMes (SIMes=[:C{N(2,4,6-Me 3 C 6 H 2 )CH 2 } 2 ]) with Group 1 alkyl bases suggest this destructive process is triggered by lateral metalation of the carbene. Exploiting co-complexation and trans-metal-trapping strategies with lower polarity organometallic reagents (Mg(CH 2 SiMe 3 ) 2 and Al(TMP)iBu 2 ), key intermediates in this process have been isolated and structurally defined. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Aromatic chemical feedstocks from coal

Energy Technology Data Exchange (ETDEWEB)

Collin, G

1982-06-01

Liquid byproducts of coal carbonization meet some 25% of the world demand for aromatic chemicals, currently at approx. 30 million t/a, in particular 15% of the demand for benzene and over 95% of the demand for condensed aromatics and heteroaromatics. Industrial processing of the aromatic byproducts of coal pressure gasification is carried out to only a minor extent. Other methods that may be employed in future to obtain carbochemical aromatic compounds are solvolysis and supercritical gas extraction, the catalytic liquid-phase hydrogenation and hydropyrolysis of coal, which also permit recovery of benzene and homologues, phenols, and condensed and partially hydrogenated aromatics, and the synthesis of aromatics using methanol as the key compound. As with the present means of obtaining aromatic chemicals from coal, the processes that may in the future be applied on an industrial scale to obtain pure aromatics will only be economically feasible if linked with the manufacture of other mass products and combined with the present production of carbochemical aromatics.

Aromatic raw materials from coal

Energy Technology Data Exchange (ETDEWEB)

Collin, G

1982-06-01

Liquid byproducts of coal carbonization meet some 25% of the world demand for aromatic chemicals, currently at approx. 30 million t/a, in particular 15% of the demand for benzene and over 95% of the demand for condensed aromatics and heteroaromatics. Industrial processing of the aromatic byproducts of coal pressure gasification is carried out to only a minor extent. Other methods that may be employed in future to obtain carbochemical aromatic compounds are solvolysis and supercritical gas extraction, the catalytic liquid-phase hydrogenation and hydropyrolysis of coal, which also permit recovery of benzene and homologues, phenols, and condensed and partially hydrogenated aromatics, and the synthesis of aromatics using methanol as the key compound. As with the present means of obtaining aromatic chemicals from coal, the processes that may in future be applied on an industrial scale to obtain pure aromatics will only be economically feasible if linked with the manufacture of other mass products and combined with the present production of carbochemical aromatics. (In German)

Prenatal exposure to polycyclic aromatic hydrocarbons/aromatics, BDNF and child development

International Nuclear Information System (INIS)

Perera, Frederica; Phillips, David H.; Wang, Ya; Roen, Emily; Herbstman, Julie; Rauh, Virginia; Wang, Shuang; Tang, Deliang

2015-01-01

Objectives: Within a New York City (NYC) birth cohort, we assessed the associations between polycyclic aromatic hydrocarbon (PAH) and other aromatic DNA adducts and brain derived neurotrophic factor (BDNF) concentrations in umbilical cord blood, and neurodevelopment at age 2 years and whether BDNF is a mediator of the associations between PAH/aromatic-DNA adducts and neurodevelopment. Methods: PAH/aromatic-DNA adduct concentrations in cord blood were measured in 505 children born to nonsmoking African-American and Dominican women residing in NYC, and a subset was assessed for neurodevelopment at 2 years using the Bayley Scales of Infant Development Mental Development Index (MDI). A spectrum of PAH/aromatic-DNA adducts was measured using the 32 P-postlabeling assay; DNA adducts formed by benzo[a]pyrene (B[a]P), a representative PAH, were measured by High Performance Liquid Chromatography (HPLC)/fluorescence. BDNF mature protein in cord blood plasma was quantified by an ELISA. Multivariate regression analysis, adjusting for potential confounders, was conducted. Results: PAH/aromatic-DNA adduct concentration measured by postlabeling was inversely associated with BDNF concentration (p=0.02) and with MDI scores at 2 years (p=0.04). BDNF level was positively associated with MDI scores (p=0.003). Restricting to subjects having all three measures (PAH/aromatic-DNA adducts by postlabeling, MDI, and BDNF), results were similar but attenuated (p=0.13, p=0.05, p=0.01, respectively). Associations between B[a]P-DNA adducts and BDNF and B[a]P-DNA adducts and MDI at age 2 years were not significant. At age 3 years, the positive association of BDNF with MDI was not observed. Conclusions: The results at age 2 suggest that prenatal exposure to a spectrum of PAH/aromatic pollutants may adversely affect early neurodevelopment, in part by reducing BDNF levels during the fetal period. However, the same relationship was not seen at age 3. - Highlights: • Cord blood Polycyclic Aromatic

Prenatal exposure to polycyclic aromatic hydrocarbons/aromatics, BDNF and child development

Energy Technology Data Exchange (ETDEWEB)

Perera, Frederica, E-mail: fpp1@columbia.edu [Department of Environmental Health Sciences, Mailman School of Public Health, Columbia University, 722 W. 168th St., New York, NY 10032 (United States); Columbia Center for Children' s Environmental Health, Columbia University, 722 W. 168th St., New York, NY 10032 (United States); Phillips, David H. [Analytical and Environmental Sciences Division, MRC-PHE Centre for Environment and Health, King' s College London, Franklin-Wilkins Building, London SE1 9NH (United Kingdom); Wang, Ya [Columbia Center for Children' s Environmental Health, Columbia University, 722 W. 168th St., New York, NY 10032 (United States); Department of Biostatistics, Mailman School of Public Health, Columbia University, 722 W. 168th St., New York, NY 10032 (United States); Roen, Emily; Herbstman, Julie [Department of Environmental Health Sciences, Mailman School of Public Health, Columbia University, 722 W. 168th St., New York, NY 10032 (United States); Columbia Center for Children' s Environmental Health, Columbia University, 722 W. 168th St., New York, NY 10032 (United States); Rauh, Virginia [Columbia Center for Children' s Environmental Health, Columbia University, 722 W. 168th St., New York, NY 10032 (United States); The Heilbrunn Department of Population and Family Health, Columbia University, 60 Haven Avenue, New York, NY 10032 (United States); Wang, Shuang [Columbia Center for Children' s Environmental Health, Columbia University, 722 W. 168th St., New York, NY 10032 (United States); Department of Biostatistics, Mailman School of Public Health, Columbia University, 722 W. 168th St., New York, NY 10032 (United States); Tang, Deliang [Department of Environmental Health Sciences, Mailman School of Public Health, Columbia University, 722 W. 168th St., New York, NY 10032 (United States); Columbia Center for Children' s Environmental Health, Columbia University, 722 W. 168th St., New York, NY 10032 (United States)

2015-10-15

Objectives: Within a New York City (NYC) birth cohort, we assessed the associations between polycyclic aromatic hydrocarbon (PAH) and other aromatic DNA adducts and brain derived neurotrophic factor (BDNF) concentrations in umbilical cord blood, and neurodevelopment at age 2 years and whether BDNF is a mediator of the associations between PAH/aromatic-DNA adducts and neurodevelopment. Methods: PAH/aromatic-DNA adduct concentrations in cord blood were measured in 505 children born to nonsmoking African-American and Dominican women residing in NYC, and a subset was assessed for neurodevelopment at 2 years using the Bayley Scales of Infant Development Mental Development Index (MDI). A spectrum of PAH/aromatic-DNA adducts was measured using the {sup 32}P-postlabeling assay; DNA adducts formed by benzo[a]pyrene (B[a]P), a representative PAH, were measured by High Performance Liquid Chromatography (HPLC)/fluorescence. BDNF mature protein in cord blood plasma was quantified by an ELISA. Multivariate regression analysis, adjusting for potential confounders, was conducted. Results: PAH/aromatic-DNA adduct concentration measured by postlabeling was inversely associated with BDNF concentration (p=0.02) and with MDI scores at 2 years (p=0.04). BDNF level was positively associated with MDI scores (p=0.003). Restricting to subjects having all three measures (PAH/aromatic-DNA adducts by postlabeling, MDI, and BDNF), results were similar but attenuated (p=0.13, p=0.05, p=0.01, respectively). Associations between B[a]P-DNA adducts and BDNF and B[a]P-DNA adducts and MDI at age 2 years were not significant. At age 3 years, the positive association of BDNF with MDI was not observed. Conclusions: The results at age 2 suggest that prenatal exposure to a spectrum of PAH/aromatic pollutants may adversely affect early neurodevelopment, in part by reducing BDNF levels during the fetal period. However, the same relationship was not seen at age 3. - Highlights: • Cord blood Polycyclic

Substrate specific hydrolysis of aromatic and aromatic-aliphatic esters in orchid tissue cultures

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Agnieszka Mironowicz

2014-01-01

Full Text Available We found that tissue cultures of higher plants were able, similarly as microorganisms, to transform low-molecular-weight chemical compounds. In tissue cultures of orchids (Cymbidium 'Saint Pierre' and Dendrobium phalaenopsis acetates of phenols and aromatic-aliphatic alcohols were hydrolyzed, whereas methyl esters of aromatic and aromatic-aliphatic acids did not undergo this reaction. Acetates of racemic aromatic-aliphatic alcohols were hydrolyzed with distinct enantiospecificity.

Effect of aromatization of the ring on intramolecular H-bond in 3-hydroxy-4-formylo derivatives of fulvene

Science.gov (United States)

Oziminski, Wojciech P.; Krygowski, Tadeusz M.

2011-06-01

DFT optimization of H-bonded 3-hydroxy-4-formylo derivatives of fulvene aromatized by amino substitution at C6 or by complexation with Li atom was performed using the B3LYP functional together with 6-311+G(d,p) basis set. Several aromaticity indicators (HOMA, NICS, pEDA and Shannon aromaticity) confirm an increase of aromaticity in the sequence: fulvene, 6-aminofulvene, Li-complex with fulvene and in the case of H-bonded 3-hydroxy-4-formylo derivatives, exhibited in the same sequence an increase of H-bond strength estimated by direct comparison of energy for H-bonded and open conformations, as well as by using AIM based electron densities at bond critical point.

Evaluation of mineral oil saturated hydrocarbons (MOSH and mineral oil aromatic hydrocarbons (MOAH in pure mineral hydrocarbon-based cosmetics and cosmetic raw materials using 1H NMR spectroscopy [version 2; referees: 3 approved

Directory of Open Access Journals (Sweden)

Dirk W. Lachenmeier

2017-08-01

Full Text Available Mineral hydrocarbons consist of two fractions, mineral oil saturated hydrocarbons (MOSH and mineral oil aromatic hydrocarbons (MOAH. MOAH is a potential public health hazard because it may include carcinogenic polycyclic compounds. In the present study, 400 MHz nuclear magnetic resonance (NMR spectroscopy was introduced, in the context of official controls, to measure MOSH and MOAH in raw materials or pure mineral hydrocarbon final products (cosmetics and medicinal products. Quantitative determination (qNMR has been established using the ERETIC methodology (electronic reference to access in vivo concentrations based on the PULCON principle (pulse length based concentration determination. Various mineral hydrocarbons (e.g., white oils, paraffins or petroleum jelly were dissolved in deuterated chloroform. The ERETIC factor was established using a quantification reference sample containing ethylbenzene and tetrachloronitrobenzene. The following spectral regions were integrated: MOSH δ 3.0 – 0.2 ppm and MOAH δ 9.2 - 6.5, excluding solvent signals. Validation showed a sufficient precision of the method with a coefficient of variation <6% and a limit of detection <0.1 g/100 g. The applicability of the method was proven by analysing 27 authentic samples with MOSH and MOAH contents in the range of 90-109 g/100 g and 0.02-1.10 g/100 g, respectively. It is important to distinguish this new NMR-approach from the hyphenated liquid chromatography-gas chromatography methodology previously used to characterize MOSH/MOAH amounts in cosmetic products. For mineral hydrocarbon raw materials or pure mineral hydrocarbon-based cosmetic products, NMR delivers higher specificity without any sample preparation besides dilution. Our sample survey shows that previous methods may have overestimated the MOAH amount in mineral oil products and opens new paths to characterize this fraction. Therefore, the developed method can be applied for routine monitoring of consumer

Parsing of the free energy of aromatic-aromatic stacking interactions in solution

Energy Technology Data Exchange (ETDEWEB)

Kostjukov, Viktor V.; Khomytova, Nina M. [Department of Physics, Sevastopol National Technical University, Sevastopol 99053, Crimea (Ukraine); Hernandez Santiago, Adrian A.; Tavera, Anna-Maria Cervantes; Alvarado, Julieta Salas [Faculty of Chemical Sciences, Autonomous University of Puebla, Puebla (Mexico); Evstigneev, Maxim P., E-mail: max_evstigneev@mail.ru [Department of Physics, Sevastopol National Technical University, Sevastopol 99053, Crimea (Ukraine)

2011-10-15

Graphical abstract: Highlights: > A protocol for decomposition of the free energy of aromatic stacking is developed. > The factors stabilizing/destabilizing stacking of aromatic molecules are defined. > Hydrophobic contribution is found to be dominant. - Abstract: We report an analysis of the energetics of aromatic-aromatic stacking interactions for 39 non-covalent reactions of self- and hetero-association of 12 aromatic molecules with different structures and charge states. A protocol for computation of the contributions to the total energy from various energetic terms has been developed and the results are consistent with experiment in 92% of all the systems studied. It is found that the contributions from hydrogen bonds and entropic factors are always unfavorable, whereas contributions from van-der-Waals, electrostatic and/or hydrophobic effects may lead to stabilizing or destabilizing factors depending on the system studied. The analysis carried out in this work provides an answer to the questions 'What forces stabilize/destabilize the stacking of aromatic molecules in aqueous-salt solution and what are their relative importance?'

Parsing of the free energy of aromatic-aromatic stacking interactions in solution

International Nuclear Information System (INIS)

Kostjukov, Viktor V.; Khomytova, Nina M.; Hernandez Santiago, Adrian A.; Tavera, Anna-Maria Cervantes; Alvarado, Julieta Salas; Evstigneev, Maxim P.

2011-01-01

Graphical abstract: Highlights: → A protocol for decomposition of the free energy of aromatic stacking is developed. → The factors stabilizing/destabilizing stacking of aromatic molecules are defined. → Hydrophobic contribution is found to be dominant. - Abstract: We report an analysis of the energetics of aromatic-aromatic stacking interactions for 39 non-covalent reactions of self- and hetero-association of 12 aromatic molecules with different structures and charge states. A protocol for computation of the contributions to the total energy from various energetic terms has been developed and the results are consistent with experiment in 92% of all the systems studied. It is found that the contributions from hydrogen bonds and entropic factors are always unfavorable, whereas contributions from van-der-Waals, electrostatic and/or hydrophobic effects may lead to stabilizing or destabilizing factors depending on the system studied. The analysis carried out in this work provides an answer to the questions 'What forces stabilize/destabilize the stacking of aromatic molecules in aqueous-salt solution and what are their relative importance?'

Engineering Aromatic-Aromatic Interactions To Nucleate Folding in Intrinsically Disordered Regions of Proteins.

Science.gov (United States)

Balakrishnan, Swati; Sarma, Siddhartha P

2017-08-22

Aromatic interactions are an important force in protein folding as they combine the stability of a hydrophobic interaction with the selectivity of a hydrogen bond. Much of our understanding of aromatic interactions comes from "bioinformatics" based analyses of protein structures and from the contribution of these interactions to stabilizing secondary structure motifs in model peptides. In this study, the structural consequences of aromatic interactions on protein folding have been explored in engineered mutants of the molten globule protein apo-cytochrome b 5 . Structural changes from disorder to order due to aromatic interactions in two variants of the protein, viz., WF-cytb5 and FF-cytb5, result in significant long-range secondary and tertiary structure. The results show that 54 and 52% of the residues in WF-cytb5 and FF-cytb5, respectively, occupy ordered regions versus 26% in apo-cytochrome b 5 . The interactions between the aromatic groups are offset-stacked and edge-to-face for the Trp-Phe and Phe-Phe mutants, respectively. Urea denaturation studies indicate that both mutants have a C m higher than that of apo-cytochrome b 5 and are more stable to chaotropic agents than apo-cytochrome b 5 . The introduction of these aromatic residues also results in "trimer" interactions with existing aromatic groups, reaffirming the selectivity of the aromatic interactions. These studies provide insights into the aromatic interactions that drive disorder-to-order transitions in intrinsically disordered regions of proteins and will aid in de novo protein design beyond small peptide scaffolds.

Pro-aromatic and anti-aromatic π-conjugated molecules: an irresistible wish to be diradicals

KAUST Repository

Zeng, Zebing

2015-01-01

© 2015 The Royal Society of Chemistry. Aromaticity is an important concept to understand the stability and physical properties of π-conjugated molecules. Recent studies on pro-aromatic and anti-aromatic molecules revealed their irresistible tendency to become diradicals in the ground state. Diradical character thus becomes another very important concept and it is fundamentally correlated to the physical (optical, electronic and magnetic) properties and chemical reactivity of most of the organic optoelectronic materials. Molecules with distinctive diradical character show unique properties which are very different from those of traditional closed-shell π-conjugated systems, and thus they have many potential applications in organic electronics, spintronics, non-linear optics and energy storage. This critical review first introduces the fundamental electronic structure of Kekulé diradicals within the concepts of anti-aromaticity and pro-aromaticity in the context of Hückel aromaticity and diradical character. Then recent research studies on various stable/persistent diradicaloids based on pro-aromatic and anti-aromatic compounds are summarized and discussed with regard to their synthetic chemistry, physical properties, structure-property relationships and potential material applications. A summary and personal perspective is given at the end.

The effect of aromatization on the isotopic compositions of hydrocarbons during early diagenesis

Science.gov (United States)

Freeman, K. H.; Boreham, C. J.; Summons, R. E.; Hayes, J. M.

1994-01-01

Polycyclic aromatic hydrocarbons with varying degrees of aromatization were isolated from the Eocene Messel Shale (Rheingraben, Germany). The high abundances of these compounds and their structural resemblances to cyclic triterpenoid lipids are consistent with derivation from microbial rather than thermal processes. Compounds structurally related to oleanane contain from five to nine double bonds; those within a series of aromatized hopanoids contain from three to nine. All are products of diagenetic reactions that remove hydrogen or methyl groups, and, in several cases, break carbon-carbon bonds to open rings. Aromatized products are on average depleted in 13C relative to possible precursors by l.2% (range: l.5% enrichment to 4% depletion, n = 9). The dependence of 13C content on the number of double bonds is not, however, statistically significant and it must be concluded that there is no strong evidence for isotopic fractionation accompanying diagenetic aromatization. Isotopic differences between series (structures related to ursane, des-A-ursane, des-A-lupane, des-A-arborane, and possibly, des-A-gammacerane are present) are much greater, indicating that 13C contents are controlled primarily by source effects. Fractionations due to chromatographic isotope effects during HPLC ranged from 0.1 to 2.8%.

Synthesis and stereochemical investigation of potential saturated heterocyclic drugs Pt. 1

International Nuclear Information System (INIS)

Bernath, G.

1982-01-01

Studies of partially and fully saturated heterocyclic compounds with condensed skeleton containing two heteroatoms are presented. The synthesis, stereochemical and conformation analyses aimed at the synthesis of potential drugs. Dihydro- and tetrahydro-1,3-oxazines were prepared from alicyclic 1,3-amino-alcohols by ring closure with aldehydes or imide esters. 1,3-oxazine-4-one derivatives were prepared by reacting alicyclic cis- and trans-2-hydroxy-1-carboxamides with aliphatic or aromatic aldehides. The conformations of the compounds prepared were determined by means of NMR spectroscopy. The main results of the determination of the steric structure of some representatives of the above described families of compounds by means of X-ray diffraction analysis are also presented. (author)

Bacterial degradation of monocyclic aromatic amines

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Pankaj Kumar Arora

2015-08-01

Full Text Available Aromatic amines are an important group of industrial chemicals, which are widely used for manufacturing of dyes, pesticides, drugs, pigments, and other industrial products. These compounds have been considered highly toxic to human beings due to their carcinogenic nature. Three groups of aromatic amines have been recognized: monocyclic, polycyclic and heterocyclic aromatic amines. Bacterial degradation of several monocyclic aromatic compounds has been studied in a variety of bacteria, which utilizes monocyclic aromatic amines as their sole source of carbon and energy. Several degradation pathways have been proposed and the related enzymes and genes have also been characterized. Many reviews have been reviewed toxicity of monocyclic aromatic amines; however, there is lack of review on biodegradation of monocyclic aromatic amines. The aim of this review is to summarize bacterial degradation of monocyclic aromatic amines. This review will increase our current understanding of biochemical and molecular basis of bacterial degradation of monocyclic aromatic amines.

PROTONATED POLYCYCLIC AROMATIC HYDROCARBONS REVISITED

International Nuclear Information System (INIS)

Ricca, Alessandra; Bauschlicher, Charles W. Jr; Allamandola, Louis J.

2011-01-01

We reconsider the contribution that singly protonated polycyclic aromatic hydrocarbons (PAHs; HPAH + s) might make to the Class A component of the 6.2 μm interstellar emission feature in light of the recent experimental measurements of protonated naphthalene and coronene. Our calculations on the small HPAH + s have a band near 6.2 μm, as found in experiment. While the larger HPAH + s still have emission near 6.2 μm, the much larger intensity of the band near 6.3 μm overwhelms the weaker band at 6.2 μm, so that the 6.2 μm band is barely visible. Since the large PAHs are more representative of those in the interstellar medium, our work suggests that large HPAH + s cannot be major contributors to the observed emission at 6.2 μm (i.e., Class A species). Saturating large PAH cations with hydrogen atoms retains the 6.2 μm Class A band position, but the rest of the spectrum is inconsistent with observed spectra.

The fluorodediazonation - a method for n.c.a.-18F-labelling of aromatic substrates

International Nuclear Information System (INIS)

Zwernemann, O.

1991-06-01

For the positron emission tomography (PET) applications, radiopharmaceuticals are required that are labelled with short-lived positron emitters. Fluorine-18 has become the leading radionuclide used for PET, due to its favourable physical properties. However, the labelling of aromatic substances with fluorine-18 with the methods available presents problems not encountered with aliphatic compounds. The decomposition of aromatic diazonium salts opens up feasible ways of preparing a broad range of labelled compounds. The dissertation investigated the possibilities of labelling with fluorine-18 by way of dediazonation on the standard substrate p-Toluidyl diazonium ion. The results reported show that the method of fluorodediazonation is an interesting further method for F-18 labelling of aromatic substrates in addition to the hitherto applied techniques. It allows carrier-free labelling of a large group of substances which cannot be fluorinated via direct nucleophilicity. (BBR) [de

Industrial application of gasoline aromatization and desulfurization technology in Hohhot refinery

Directory of Open Access Journals (Sweden)

Li Zixia

2017-01-01

Full Text Available Gasoline aromatization and desulfurization (GARDES technology is extensively used in refineries of Petrochina, aiming to produce high quality ultraclean fluid catalytic cracking (FCC gasoline. This article introduces the industrial application results on the hydrodesulfurization unit of the Hohhot refinery, which plays an important role in guiding next round gasoline upgrading. The characteristics and the principle of GARDES technology were elaborated by analyzing the distribution of sulfur and hydrocarbon compounds in the feed and product. The analysis results proved that the presence of broad ranged sulfur types in the feed can be removed at different stages. Olefin can be decreased by saturation and conversion into i-paraffins and aromatics. The sulfur content of the blend product can be limited under 10 mg/kg, showing GARDES technology has excellent sulfur removal ability. The olefin reduction can also satisfy the ever-increasing severe requirement about the olefin limitation, while the loss of research octane number (RON can be minimized to an acceptable level. Furthermore, according to the demand of gasoline upgrading, GARDES technology has great flexibility by adjusting operation condition without any further investment, which brings more economic benefits for refinery.

Theoretical studies of the structures and local aromaticity of conjugated polycyclic hydrocarbons using three aromatic indices

Science.gov (United States)

Sakai, Shogo; Kita, Yuki

2013-07-01

The structures and local aromaticity of some conjugated polycyclic hydrocarbons (from the butadienoid, acene, and phenylene series) are studied using ab initio MO and density functional methods. The aromaticities of the molecules are estimated using three indices: the nucleus-independent chemical shift (NICS), the harmonic oscillator model of aromaticity (HOMA), and the index of deviation from aromaticity (IDA). Assessment of the relationships between the structures and the aromatic indices shows that the IDA values correspond best to the characteristics of the conjugated polycyclic hydrocarbon structures.

Cyano-containing ionic liquids for the extraction of aromatic hydrocarbons from an aromatic/aliphatic mixture

NARCIS (Netherlands)

Meindersma, G.W.; Haan, de A.B.

2012-01-01

Ionic liquids can replace conventional solvents in aromatic/aliphatic extractions, if they have higher aromatic distribution coefficients and higher or similar aromatic/aliphatic selectivities. Also physical properties, such as density and viscosity, must be taken into account if a solvent is

Bacterial Degradation of Aromatic Compounds

Directory of Open Access Journals (Sweden)

Qing X. Li

2009-01-01

Full Text Available Aromatic compounds are among the most prevalent and persistent pollutants in the environment. Petroleum-contaminated soil and sediment commonly contain a mixture of polycyclic aromatic hydrocarbons (PAHs and heterocyclic aromatics. Aromatics derived from industrial activities often have functional groups such as alkyls, halogens and nitro groups. Biodegradation is a major mechanism of removal of organic pollutants from a contaminated site. This review focuses on bacterial degradation pathways of selected aromatic compounds. Catabolic pathways of naphthalene, fluorene, phenanthrene, fluoranthene, pyrene, and benzo[a]pyrene are described in detail. Bacterial catabolism of the heterocycles dibenzofuran, carbazole, dibenzothiophene, and dibenzodioxin is discussed. Bacterial catabolism of alkylated PAHs is summarized, followed by a brief discussion of proteomics and metabolomics as powerful tools for elucidation of biodegradation mechanisms.

Aromater i drikkevand

DEFF Research Database (Denmark)

Nyeland, B. A.; Hansen, A. B.

DMU har den 10. Juni 1997 afholdt en præstationsprøvning: Aromater i drikkevand. Der deltog 21 laboratorier i præstationsprøvningen. Prøvningen omfattede 6 vandige prøver og 6 ampuller indeholdende 6 aromater. Laboratorierne spikede de tilsendte vandprøver med indholdet fra ampullerne...

Fluorescence method for enzyme analysis which couples aromatic amines with aromatic aldehydes

Science.gov (United States)

Smith, R.E.; Dolbeare, F.A.

1980-10-21

Analysis of proteinases is accomplished using conventional amino acid containing aromatic amine substrates. Aromatic amines such as 4-methoxy-2-naphthylamine (4M2NA), 2-naphthylamine, aminoisophthalic acid dimethyl ester, p-nitroaniline, 4-methoxy-1-aminofluorene and coumarin derivatives resulting from enzymatic hydrolysis of the substrate couples with aromatic aldehydes such as 5-nitrosalicylaldehyde (5-NSA), benzaldehyde and p-nitrobenzaldehyde to produce Schiff-base complexes which are water insoluble. Certain Schiff-base complexes produce a shift from blue to orange-red (visible) fluorescence. Such complexes are useful in the assay of enzymes. No Drawings

Synthetic approaches to aromatic belts: building up strain in macrocyclic polyarenes.

Science.gov (United States)

Eisenberg, David; Shenhar, Roy; Rabinovitz, Mordecai

2010-08-01

This tutorial review discusses synthetic strategies towards aromatic belts, defined here as double-stranded conjugated macrocycles, such as [n]cyclacenes, [n]cyclophenacenes, Schlüter belt, and Vögtle belt. Their appeal stems, firstly, from the unique nature of their conjugation, having p orbitals oriented radially rather than perpendicular to the plane of the macrocycle. Secondly, as aromatic belts are model compounds of carbon nanotubes of different chiralities, a synthetic strategy towards the buildup of structural strain in these compounds could finally open a route towards rational chemical synthesis of carbon nanotubes. The elusiveness of these compounds has stimulated fascinating and ingenious synthetic strategies over the last decades. The various strategies are classified here by their approach to the buildup of structural strain, which is the main obstacle in the preparation of these curved polyarenes.

On the synthesis of 11C-labelled aromatic amino acids

International Nuclear Information System (INIS)

Halldin, C.

1984-01-01

The use of 11 C-labelled aromatic amino acids in positron emission tomography (PET) and their importance in physiological studies, especially cerebral protein synthesis or their role as precursors of neurotransmitters, is discussed. The synthesis of 11 -C-labelled aromatic amino acids by various routes is presented and new 11 C-labelled precursors, aromatic and aliphatic 11 C-aldehydes, are reported. The 11 C-aldehydes were obtained in 60-95% radiochemical yield and reaction times were of the order of 5 min. The 11 C-aldehydes have been used in condensation reactions with 2-aryl-5-oxazolones in the presence of a tertiary amine, diazabicyclooctane (DABCO), to produce the corresponding [α- 11 C]-4-arylene-2-aryl-5-oxazolones. Ring opening, hydrogenation and removal of protecting groups were carried out in one step to produce the racemic [3- 11 C]-labelled aromatic amino acids in 8-30% radiochemical yield. The total reaction time was 52-60 min. L-[3- 11 C]Phenylalanine was obtained by a seven-step synthesis in 80% e.e. (enantiomeric excess) and 60% e.e., respectively, in 10-15% radiochemical yield within 60 min, by use of the chiral rhodium complex of (R)-1,2-bis(diphenylphosphino)propane ((R)-PROPHOS) or (+)-2,3-isopropylidene-2,3-dihydroxy-1,4-bis(diphenylphosphino)butane ((+)-DIOP) in the hydrogenation reaction. Racemic [2- 11 C]-labelled aromatic amino acids were produced by a high-pressure, high-temperature modification of the Buechere-Strecker synthesis. [2- 11 C]Phenylglycine was obtained in 20% radiochemical yield within 50 min. [3- 11 C]Phenylpyruvic acid was prepared via the aldehyde-oxyzolone condensation reaction in 40% radiochemical yield within 40 min (not including LC separation). Its use in the synthesis of [3- 11 C]-phenylalanine by enzymatic transamination is also discussed. With 32 refs.(Author)

Graphene growth by conversion of aromatic self-assembled monolayers

Energy Technology Data Exchange (ETDEWEB)

Turchanin, Andrey [Institute of Physical Chemistry, Friedrich Schiller University Jena (Germany); Jena Center for Soft Matter (JCSM), Jena (Germany); Center for Energy and Environmental Chemistry Jena (CEEC), Jena (Germany); Abbe Center of Photonics (ACP), Jena (Germany)

2017-11-15

Despite present diversity of graphene production methods there is still a high demand for improvement of the existing production schemes or development of new. Here a method is reviewed to produce graphene employing aromatic self-assembled monolayers (SAMs) as molecular precursors. This method is based on electron irradiation induced crosslinking of aromatic SAMs resulting in their conversion into carbon nanomembranes (CNMs) with high thermal stability and subsequent pyrolysis of CNMs into graphene in vacuum or in the inert atmosphere. Depending on the production conditions, such as chemical structure of molecular precursors, irradiation and annealing parameters, various properties of the produced graphene sheets including shape, crystallinity, thickness, optical properties and electric transport can be adjusted. The assembly of CNM/graphene van der Waals heterostructures opens a flexible route to non-destructive chemical functionalization of graphene for a variety of applications in electronic and photonic devices. (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Noncomparative scaling of aromaticity through electron itinerancy

International Nuclear Information System (INIS)

Paul, Satadal; Goswami, Tamal; Misra, Anirban

2015-01-01

Aromaticity is a multidimensional concept and not a directly observable. These facts have always stood in the way of developing an appropriate theoretical framework for scaling of aromaticity. In the present work, a quantitative account of aromaticity is developed on the basis of cyclic delocalization of π-electrons, which is the phenomenon leading to unique features of aromatic molecules. The stabilization in molecular energy, caused by delocalization of π-electrons is obtained as a second order perturbation energy for archetypal aromatic systems. The final expression parameterizes the aromatic stabilization energy in terms of atom to atom charge transfer integral, onsite repulsion energy and the population of spin orbitals at each site in the delocalized π-electrons. An appropriate computational platform is framed to compute each and individual parameter in the derived equation. The numerical values of aromatic stabilization energies obtained for various aromatic molecules are found to be in close agreement with available theoretical and experimental reports. Thus the reliable estimate of aromaticity through the proposed formalism renders it as a useful tool for the direct assessment of aromaticity, which has been a long standing problem in chemistry

Three-dimensional aromatic networks.

Science.gov (United States)

Toyota, Shinji; Iwanaga, Tetsuo

2014-01-01

Three-dimensional (3D) networks consisting of aromatic units and linkers are reviewed from various aspects. To understand principles for the construction of such compounds, we generalize the roles of building units, the synthetic approaches, and the classification of networks. As fundamental compounds, cyclophanes with large aromatic units and aromatic macrocycles with linear acetylene linkers are highlighted in terms of transannular interactions between aromatic units, conformational preference, and resolution of chiral derivatives. Polycyclic cage compounds are constructed from building units by linkages via covalent bonds, metal-coordination bonds, or hydrogen bonds. Large cage networks often include a wide range of guest species in their cavity to afford novel inclusion compounds. Topological isomers consisting of two or more macrocycles are formed by cyclization of preorganized species. Some complicated topological networks are constructed by self-assembly of simple building units.

Saturated Switching Systems

CERN Document Server

Benzaouia, Abdellah

2012-01-01

Saturated Switching Systems treats the problem of actuator saturation, inherent in all dynamical systems by using two approaches: positive invariance in which the controller is designed to work within a region of non-saturating linear behaviour; and saturation technique which allows saturation but guarantees asymptotic stability. The results obtained are extended from the linear systems in which they were first developed to switching systems with uncertainties, 2D switching systems, switching systems with Markovian jumping and switching systems of the Takagi-Sugeno type. The text represents a thoroughly referenced distillation of results obtained in this field during the last decade. The selected tool for analysis and design of stabilizing controllers is based on multiple Lyapunov functions and linear matrix inequalities. All the results are illustrated with numerical examples and figures many of them being modelled using MATLAB®. Saturated Switching Systems will be of interest to academic researchers in con...

Single base substitution causing the fragrant phenotype and development of a type-specific marker in aromatic coconut (Cocos nucifera).

Science.gov (United States)

Vongvanrungruang, A; Mongkolsiriwatana, C; Boonkaew, T; Sawatdichaikul, O; Srikulnath, K; Peyachoknagul, S

2016-09-19

The fragrance gene, betaine aldehyde dehydrogenase 2 (Badh2), has been well studied in many plant species. The objectives of this study were to clone Badh2 and compare the sequences between aromatic and non-aromatic coconuts. The complete coding region was cloned from cDNA of both aromatic and non-aromatic coconuts. The nucleotide sequences were highly homologous to Badh2 genes of other plants. Badh2 consisted of a 1512-bp open reading frame encoding 503 amino acids. A single nucleotide difference between aromatic and non-aromatic coconuts resulted in the conversion of alanine (non-aromatic) to proline (aromatic) at position 442, which was the substrate binding site of BADH2. The ring side chain of proline could destabilize the structure leading to a non-functional enzyme. Badh2 genomic DNA was cloned from exon 1 to 4, and from exon 5 to 15 from the two coconut types, except for intron 4 that was very long. The intron sequences of the two coconut groups were highly homologous. No differences in Badh2 expression were found among the tissues of aromatic coconut or between aromatic and non-aromatic coconuts. The amino acid sequences of BADH2 from coconut and other plants were compared and the genetic relationship was analyzed using MEGA 7.0. The phylogenetic tree reconstructed by the Bayesian information criterion consisted of two distinct groups of monocots and dicots. Among the monocots, coconut (Cocos nucifera) and oil palm (Elaeis guineensis) were the most closely related species. A marker for coconut differentiation was developed from one-base substitution site and could be successfully used.

Studies of non-isothermal flow in saturated and partially saturated porous media

International Nuclear Information System (INIS)

Ho, C.K.; Maki, K.S.; Glass, R.J.

1993-01-01

Physical and numerical experiments have been performed to investigate the behavior of nonisothermal flow in two-dimensional saturated and partially saturated porous media. The physical experiments were performed to identify non-isothermal flow fields and temperature distributions in fully saturated, half-saturated, and residually saturated two-dimensional porous media with bottom heating and top cooling. Two counter-rotating liquid-phase convective cells were observed to develop in the saturated regions of all three cases. Gas-phase convection was also evidenced in the unsaturated regions of the partially saturated experiments. TOUGH2 numerical simulations of the saturated case were found to be strongly dependent on the assumed boundary conditions of the physical system. Models including heat losses through the boundaries of the test cell produced temperature and flow fields that were in better agreement with the observed temperature and flow fields than models that assumed insulated boundary conditions. A sensitivity analysis also showed that a reduction of the bulk permeability of the porous media in the numerical simulations depressed the effects of convection, flattening the temperature profiles across the test cell

Emissions from Open burning of Used Agricultural Pesticide Containers

Science.gov (United States)

Emissions from simulated open burning of used agricultural pesticide containers were sampled for polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDDs/PCDFs), polycyclic aromatic hydrocarbon compounds (PAHs), and particle matter (PM10 and PM2.5). Clean high density polyethyl...

Strong CH/O interactions between polycyclic aromatic hydrocarbons and water: Influence of aromatic system size.

Science.gov (United States)

Veljković, Dušan Ž

2018-03-01

Energies of CH/O interactions between water molecule and polycyclic aromatic hydrocarbons with a different number of aromatic rings were calculated using ab initio calculations at MP2/cc-PVTZ level. Results show that an additional aromatic ring in structure of polycyclic aromatic hydrocarbons significantly strengthens CH/O interactions. Calculated interaction energies in optimized structures of the most stable tetracene/water complex is -2.27 kcal/mol, anthracene/water is -2.13 kcal/mol and naphthalene/water is -1.97 kcal/mol. These interactions are stronger than CH/O contacts in benzene/water complex (-1.44 kcal/mol) while CH/O contacts in tetracene/water complex are even stronger than CH/O contacts in pyridine/water complexes (-2.21 kcal/mol). Electrostatic potential maps for different polycyclic aromatic hydrocarbons were calculated and used to explain trends in the energies of interactions. Copyright © 2017 Elsevier Inc. All rights reserved.

Pulse shape discrimination in non-aromatic plastics

Energy Technology Data Exchange (ETDEWEB)

Paul Martinez, H.; Pawelczak, Iwona; Glenn, Andrew M.; Leslie Carman, M.; Zaitseva, Natalia; Payne, Stephen

2015-01-21

Recently it has been demonstrated that plastic scintillators have the ability to distinguish neutrons from gamma rays by way of pulse shape discrimination (PSD). This discovery has lead to new materials and new capabilities. Here we report our work with the effects of aromatic, non-aromatic, and mixed aromatic/non-aromatic matrices have on the performance of PSD plastic scintillators.

The error analysis of the reverse saturation current of the diode in the modeling of photovoltaic modules

International Nuclear Information System (INIS)

Wang, Gang; Zhao, Ke; Qiu, Tian; Yang, Xinsheng; Zhang, Yong; Zhao, Yong

2016-01-01

In the modeling and simulation of photovoltaic modules, especially in calculating the reverse saturation current of the diode, the series and parallel resistances are often neglected, causing certain errors. We analyzed the errors at the open circuit point, and proposed an iterative algorithm to calculate the modified values of the reverse saturation current, series resistance and parallel resistance of the diode, in order to reduce the errors. Assuming independent irradiation and temperature effects, the irradiation-dependence and the temperature-dependence of the open circuit voltage were introduced to obtain the modified formula of the open circuit voltage under any condition. Experimental results show that this modified formula has high accuracy, even at irradiance as low as 40 W/m"2. The errors of open circuit voltage were significantly reduced, indicating that this modified model is suitable for simulations of photovoltaic modules. - Highlights: • We propose a new method for modeling PV modules with higher accuracy. • The errors of open circuit voltage are significantly reduced. • I_o under any condition is calculated.

Open Babel: An open chemical toolbox

Directory of Open Access Journals (Sweden)

O'Boyle Noel M

2011-10-01

Full Text Available Abstract Background A frequent problem in computational modeling is the interconversion of chemical structures between different formats. While standard interchange formats exist (for example, Chemical Markup Language and de facto standards have arisen (for example, SMILES format, the need to interconvert formats is a continuing problem due to the multitude of different application areas for chemistry data, differences in the data stored by different formats (0D versus 3D, for example, and competition between software along with a lack of vendor-neutral formats. Results We discuss, for the first time, Open Babel, an open-source chemical toolbox that speaks the many languages of chemical data. Open Babel version 2.3 interconverts over 110 formats. The need to represent such a wide variety of chemical and molecular data requires a library that implements a wide range of cheminformatics algorithms, from partial charge assignment and aromaticity detection, to bond order perception and canonicalization. We detail the implementation of Open Babel, describe key advances in the 2.3 release, and outline a variety of uses both in terms of software products and scientific research, including applications far beyond simple format interconversion. Conclusions Open Babel presents a solution to the proliferation of multiple chemical file formats. In addition, it provides a variety of useful utilities from conformer searching and 2D depiction, to filtering, batch conversion, and substructure and similarity searching. For developers, it can be used as a programming library to handle chemical data in areas such as organic chemistry, drug design, materials science, and computational chemistry. It is freely available under an open-source license from http://openbabel.org.

Open Babel: An open chemical toolbox

Science.gov (United States)

2011-01-01

Background A frequent problem in computational modeling is the interconversion of chemical structures between different formats. While standard interchange formats exist (for example, Chemical Markup Language) and de facto standards have arisen (for example, SMILES format), the need to interconvert formats is a continuing problem due to the multitude of different application areas for chemistry data, differences in the data stored by different formats (0D versus 3D, for example), and competition between software along with a lack of vendor-neutral formats. Results We discuss, for the first time, Open Babel, an open-source chemical toolbox that speaks the many languages of chemical data. Open Babel version 2.3 interconverts over 110 formats. The need to represent such a wide variety of chemical and molecular data requires a library that implements a wide range of cheminformatics algorithms, from partial charge assignment and aromaticity detection, to bond order perception and canonicalization. We detail the implementation of Open Babel, describe key advances in the 2.3 release, and outline a variety of uses both in terms of software products and scientific research, including applications far beyond simple format interconversion. Conclusions Open Babel presents a solution to the proliferation of multiple chemical file formats. In addition, it provides a variety of useful utilities from conformer searching and 2D depiction, to filtering, batch conversion, and substructure and similarity searching. For developers, it can be used as a programming library to handle chemical data in areas such as organic chemistry, drug design, materials science, and computational chemistry. It is freely available under an open-source license from http://openbabel.org. PMID:21982300

THE SATURATION OF SASI BY PARASITIC INSTABILITIES

International Nuclear Information System (INIS)

Guilet, Jerome; Sato, Jun'ichi; Foglizzo, Thierry

2010-01-01

The standing accretion shock instability (SASI) is commonly believed to be responsible for large amplitude dipolar oscillations of the stalled shock during core collapse, potentially leading to an asymmetric supernovae explosion. The degree of asymmetry depends on the amplitude of SASI, but the nonlinear saturation mechanism has never been elucidated. We investigate the role of parasitic instabilities as a possible cause of nonlinear SASI saturation. As the shock oscillations create both vorticity and entropy gradients, we show that both Kelvin-Helmholtz and Rayleigh-Taylor types of instabilities are able to grow on a SASI mode if its amplitude is large enough. We obtain simple estimates of their growth rates, taking into account the effects of advection and entropy stratification. In the context of the advective-acoustic cycle, we use numerical simulations to demonstrate how the acoustic feedback can be decreased if a parasitic instability distorts the advected structure. The amplitude of the shock deformation is estimated analytically in this scenario. When applied to the set up of Fernandez and Thompson, this saturation mechanism is able to explain the dramatic decrease of the SASI power when both the nuclear dissociation energy and the cooling rate are varied. Our results open new perspectives for anticipating the effect, on the SASI amplitude, of the physical ingredients involved in the modeling of the collapsing star.

Development of a yeast cell factory for production of aromatic secondary metabolites

DEFF Research Database (Denmark)

Rodriguez Prado, Edith Angelica

Aromatic secondary metabolites are compounds mainly synthesized by plants and fungi as a response to predators and environmental stresses. These compounds have a broad range of natural properties such as reduction of oxidative damage in cells, antibacterial effects and UV protection. Many...... of these properties can be useful for the treatment of different diseases and development of pharmaceutical products. The low abundance of these compounds in natural sources together with technical challenges for the extraction of these compounds from plants, open up the possibility for synthesizing aromatic....... The systems biology analysis of the platform strain suggests that the strain has transcriptional downregulations in genes involved in the transport of amino acids and sugars, which could be a response to the stress triggered by the production of p-coumaric acid. The platform strain was capable of synthesizing...

Backflush HPLC for the isolation of polycyclic aromatic compounds - a comparative study

Energy Technology Data Exchange (ETDEWEB)

Oestman, C.E.; Colmsjoe, A.L.

1987-12-01

Semipreparative HPLC utilizing a polar bonded phase was applied to the isolation of polycyclic aromatic compounds (PAC) from complex samples using a backflush technique. Aminopropyl- and cyanopropyl-modified silica was tested. Aminopropyl-modified silica was found to be superior in achieving rapid, selective and non discriminating isolation of PAC. This was compared with the most commonly used isolation methods, dimethylsulfoxide (DMSO), dimethylformamide (DMF) and nitromethane liquid-liquid extractions, and silica and SephadexLH-20 open column chromatography. Strong discrimination of alkylated PAC and polycyclic aromatic nitrogen heterocyclics (PANH) was found for the liquid-liquid extractions and the LH-20 column chromatography. These comparisons were made using both standard compounds and a sample of used crank-case oil, indicating the necessity of using a real sample for evaluation of extraction methods. Recoveries of 42 PACs are reported.

Some Characterizations of Open, Closed, and Continuous Mappings

Directory of Open Access Journals (Sweden)

Navpreet Singh Noorie

2008-01-01

Full Text Available We obtain new characterizations of open maps in terms of closures, of closed maps in terms of interiors, and of continuous maps in terms of interiors. Further open (closed onto maps ∶→ are described in terms of images under of certain closed (open sets in . Continuity of (onto maps is also characterized in terms of saturated sets.

Microscopic analysis of saturable absorbers: Semiconductor saturable absorber mirrors versus graphene

Energy Technology Data Exchange (ETDEWEB)

Hader, J.; Moloney, J. V. [Nonlinear Control Strategies, Inc., 3542 N. Geronimo Ave., Tucson, Arizona 85705 (United States); College of Optical Sciences, University of Arizona, Tucson, Arizona 85721 (United States); Yang, H.-J.; Scheller, M. [College of Optical Sciences, University of Arizona, Tucson, Arizona 85721 (United States); Koch, S. W. [Department of Physics and Materials Sciences Center, Philipps Universität Marburg, Renthof 5, 35032 Marburg (Germany)

2016-02-07

Fully microscopic many-body calculations are used to study the influence of strong sub-picosecond pulses on the carrier distributions and corresponding optical response in saturable absorbers used for mode-locking—semiconductor (quantum well) saturable absorber mirrors (SESAMs) and single layer graphene based saturable absorber mirrors (GSAMs). Unlike in GSAMs, the saturation fluence and recovery time in SESAMs show a strong spectral dependence. While the saturation fluence in the SESAM is minimal at the excitonic bandgap, the optimal recovery time and least pulse distortion due to group delay dispersion are found for excitation higher in the first subband. For excitation near the SESAM bandgap, the saturation fluence is about one tenth of that in the GSAM. At energies above the bandgap, the fluences in both systems become similar. A strong dependence of the saturation fluence on the pulse width in both systems is caused by carrier relaxation during the pulse. The recovery time in graphene is found to be about two to four times faster than that in the SESAMs. The occurrence of negative differential transmission in graphene is shown to be caused by dopant related carriers. In SESAMs, a negative differential transmission is found when exciting below the excitonic resonance where excitation induced dephasing leads to an enhancement of the absorption. Comparisons of the simulation data to the experiment show a very good quantitative agreement.

Aromatic-Aromatic Interactions in Biological System: Structure Activity Relationships

International Nuclear Information System (INIS)

Rajagopal, Appavu; Deepa, Mohan; Govindaraju, Munisamy

2016-01-01

While, intramolecular hydrogen bonds have attracted the greatest attention in studies of peptide conformations, the recognition that several other weakly polar interactions may be important determinants of folded structure has been growing. Burley and Petsko provided a comprehensive overview of the importance of weakly polar interactions, in shaping protein structures. The interactions between aromatic rings, which are spatially approximate, have attracted special attention. A survey of the proximal aromatic residue pairs in proteins, allowed Burley and Petsko to suggest that, “phenyl ring centroids are separated by a preferential distance of between 4.5 and 7 Å, and dihedral angles approximately 90° are most common”

Aromatic-Aromatic Interactions in Biological System: Structure Activity Relationships

Energy Technology Data Exchange (ETDEWEB)

Rajagopal, Appavu; Deepa, Mohan [Molecular Biophysics Unit, Indian Institute of Sciences-Bangalore, Karnataka (India); Govindaraju, Munisamy [Bio-Spatial Technology Research Unit, Department of Environmental Biotechnology, School of Environmental Sciences, Bharathidasan University, Tiruchirappalli, Tamil Nadu (India)

2016-02-26

While, intramolecular hydrogen bonds have attracted the greatest attention in studies of peptide conformations, the recognition that several other weakly polar interactions may be important determinants of folded structure has been growing. Burley and Petsko provided a comprehensive overview of the importance of weakly polar interactions, in shaping protein structures. The interactions between aromatic rings, which are spatially approximate, have attracted special attention. A survey of the proximal aromatic residue pairs in proteins, allowed Burley and Petsko to suggest that, “phenyl ring centroids are separated by a preferential distance of between 4.5 and 7 Å, and dihedral angles approximately 90° are most common”.

Low-loss saturable absorbers based on tapered fibers embedded in carbon nanotube/polymer composites

Science.gov (United States)

Martinez, Amos; Al Araimi, Mohammed; Dmitriev, Artemiy; Lutsyk, Petro; Li, Shen; Mou, Chengbo; Rozhin, Alexey; Sumetsky, Misha; Turitsyn, Sergei

2017-12-01

The emergence of low-dimensional materials has opened new opportunities in the fabrication of compact nonlinear photonic devices. Single-walled carbon nanotubes were among the first of those materials to attract the attention of the photonics community owing to their high third order susceptibility, broadband operation, and ultrafast response. Saturable absorption, in particular, has become a widespread application for nanotubes in the mode-locking of a fiber laser where they are used as nonlinear passive amplitude modulators to initiate pulsed operation. Numerous approaches have been proposed for the integration of nanotubes in fiber systems; these can be divided into those that rely on direct interaction (where the nanotubes are sandwiched between fiber connectors) and those that rely on lateral interaction with the evanescence field of the propagating wave. Tapered fibers, in particular, offer excellent flexibility to adjust the nonlinearity of nanotube-based devices but suffer from high losses (typically exceeding 50%) and poor saturable to non-saturable absorption ratios (typically above 1:5). In this paper, we propose a method to fabricate carbon nanotube saturable absorbers with controllable saturation power, low-losses (as low as 15%), and large saturable to non-saturable loss ratios approaching 1:1. This is achieved by optimizing the procedure of embedding tapered fibers in low-refractive index polymers. In addition, this study sheds light in the operation of these devices, highlighting a trade-off between losses and saturation power and providing guidelines for the design of saturable absorbers according to their application.

Design of feedback control systems for unstable plants with saturating actuators

Science.gov (United States)

Kapasouris, Petros; Athans, Michael; Stein, Gunter

1988-01-01

A new control design methodology is introduced for multi-input/multi-output systems with unstable open loop plants and saturating actuators. A control system is designed using well known linear control theory techniques and then a reference prefilter is introduced so that when the references are sufficiently small, the control system operates linearly as designated. For signals large enough to cause saturations, the control law is modified in such a way to ensure stability and to preserve, to the extent possible, the behavior of the linear control design. Key benefits of this methodology are: the modified feedback system never produces saturating control signals, integrators and/or slow dynamics in the compensator never windup, the directionaL properties of the controls are maintained, and the closed loop system has certain guaranteed stability properties. The advantages of the new design methodology are illustrated in the simulation of an approximation of the AFTI-16 (Advanced Fighter Technology Integration) aircraft multivariable longitudinal dynamics.

Dibenzoheptazethrene isomers with different biradical characters: An exercise of clar's aromatic sextet rule in singlet biradicaloids

KAUST Repository

Sun, Zhe

2013-12-04

Clar\\'s aromatic sextet rule has been widely used for the prediction of the reactivity and stability of polycyclic aromatic hydrocarbons with a closed-shell electronic configuration. Recent advances in open-shell biradicaloids have shown that the number of aromatic sextet rings plays an important role in determination of their ground states. In order to test the validity of this rule in singlet biradicaloids, the two soluble and stable dibenzoheptazethrene isomers DBHZ1 and DBHZ2 were prepared by different synthetic approaches and isolated in crystalline form. These two molecules have different numbers of aromatic sextet rings in their respective biradical resonance forms and thus are expected to exhibit varied singlet biradical character. This assumption was verified by different experimental methods, including nuclear magnetic resonance (NMR), electron spin resonance (ESR), superconducting quantum interference device (SQUID), steady-state and transient absorption spectroscopy (TA), and X-ray crystallographic analysis, assisted by unrestricted symmetry-broken density functional theory (DFT) calculations. DBHZ2, with more aromatic sextet rings in the biradical form, was demonstrated to possess greater biradical character than DBHZ1; as a result, DBHZ2 exhibited an intense one-photon absorption (OPA) in the near-infrared region (λabs max = 804 nm) and a large two-photon absorption (TPA) cross-section (σ(2)max = 2800 GM at 1600 nm). This investigation together with previous studies indicates that Clar\\'s aromatic sextet rule can be further extended to the singlet biradicaloids to predict their ground states and singlet biradical characters. © 2013 American Chemical Society.

Gluon saturation in a saturated environment

International Nuclear Information System (INIS)

Kopeliovich, B. Z.; Potashnikova, I. K.; Schmidt, Ivan

2011-01-01

A bootstrap equation for self-quenched gluon shadowing leads to a reduced magnitude of broadening for partons propagating through a nucleus. Saturation of small-x gluons in a nucleus, which has the form of transverse momentum broadening of projectile gluons in pA collisions in the nuclear rest frame, leads to a modification of the parton distribution functions in the beam compared with pp collisions. In nucleus-nucleus collisions all participating nucleons acquire enhanced gluon density at small x, which boosts further the saturation scale. Solution of the reciprocity equations for central collisions of two heavy nuclei demonstrate a significant, up to several times, enhancement of Q sA 2 , in AA compared with pA collisions.

Converting lignin to aromatics: step by step

NARCIS (Netherlands)

Strassberger, Z.I.

2014-01-01

Lignin, the glue that holds trees together, is the most abundant natural resource of aromatics. In that respect, it is a far more advanced resource than crude oil. This is because lignin already contains the aromatic functional groups. Thus, catalytic conversion of lignin to high-value aromatics is

Low-loss saturable absorbers based on tapered fibers embedded in carbon nanotube/polymer composites

Directory of Open Access Journals (Sweden)

Amos Martinez

2017-12-01

Full Text Available The emergence of low-dimensional materials has opened new opportunities in the fabrication of compact nonlinear photonic devices. Single-walled carbon nanotubes were among the first of those materials to attract the attention of the photonics community owing to their high third order susceptibility, broadband operation, and ultrafast response. Saturable absorption, in particular, has become a widespread application for nanotubes in the mode-locking of a fiber laser where they are used as nonlinear passive amplitude modulators to initiate pulsed operation. Numerous approaches have been proposed for the integration of nanotubes in fiber systems; these can be divided into those that rely on direct interaction (where the nanotubes are sandwiched between fiber connectors and those that rely on lateral interaction with the evanescence field of the propagating wave. Tapered fibers, in particular, offer excellent flexibility to adjust the nonlinearity of nanotube-based devices but suffer from high losses (typically exceeding 50% and poor saturable to non-saturable absorption ratios (typically above 1:5. In this paper, we propose a method to fabricate carbon nanotube saturable absorbers with controllable saturation power, low-losses (as low as 15%, and large saturable to non-saturable loss ratios approaching 1:1. This is achieved by optimizing the procedure of embedding tapered fibers in low-refractive index polymers. In addition, this study sheds light in the operation of these devices, highlighting a trade-off between losses and saturation power and providing guidelines for the design of saturable absorbers according to their application.

Lipid order, saturation and surface property relationships: a study of human meibum saturation.

Science.gov (United States)

Mudgil, Poonam; Borchman, Douglas; Yappert, Marta C; Duran, Diana; Cox, Gregory W; Smith, Ryan J; Bhola, Rahul; Dennis, Gary R; Whitehall, John S

2013-11-01

Tear film stability decreases with age however the cause(s) of the instability are speculative. Perhaps the more saturated meibum from infants may contribute to tear film stability. The meibum lipid phase transition temperature and lipid hydrocarbon chain order at physiological temperature (33 °C) decrease with increasing age. It is reasonable that stronger lipid-lipid interactions could stabilize the tear film since these interactions must be broken for tear break up to occur. In this study, meibum from a pool of adult donors was saturated catalytically. The influence of saturation on meibum hydrocarbon chain order was determined by infrared spectroscopy. Meibum is in an anhydrous state in the meibomian glands and on the surface of the eyelid. The influence of saturation on the surface properties of meibum was determined using Langmuir trough technology. Saturation of native human meibum did not change the minimum or maximum values of hydrocarbon chain order so at temperatures far above or below the phase transition of human meibum, saturation does not play a role in ordering or disordering the lipid hydrocarbon chains. Saturation did increase the phase transition temperature in human meibum by over 20 °C, a relatively high amount. Surface pressure-area studies showing the late take off and higher maximum surface pressure of saturated meibum compared to native meibum suggest that the saturated meibum film is quite molecularly ordered (stiff molecular arrangement) and elastic (molecules are able to rearrange during compression and expansion) compared with native meibum films which are more fluid agreeing with the infrared spectroscopic results of this study. In saturated meibum, the formation of compacted ordered islands of lipids above the surfactant layer would be expected to decrease the rate of evaporation compared to fluid and more loosely packed native meibum. Higher surface pressure observed with films of saturated meibum compared to native meibum

High atmosphere–ocean exchange of semivolatile aromatic hydrocarbons

KAUST Repository

González-Gaya, Belén

2016-05-16

Polycyclic aromatic hydrocarbons, and other semivolatile aromatic-like compounds, are an important and ubiquitous fraction of organic matter in the environment. The occurrence of semivolatile aromatic hydrocarbons is due to anthropogenic sources such as incomplete combustion of fossil fuels or oil spills, and other biogenic sources. However, their global transport, fate and relevance for the carbon cycle have been poorly assessed, especially in terms of fluxes. Here we report a global assessment of the occurrence and atmosphere-ocean fluxes of 64 polycyclic aromatic hydrocarbons analysed in paired atmospheric and seawater samples from the tropical and subtropical Atlantic, Pacific and Indian oceans. The global atmospheric input of polycyclic aromatic hydrocarbons to the global ocean is estimated at 0.09 Tg per month, four times greater than the input from the Deepwater Horizon spill. Moreover, the environmental concentrations of total semivolatile aromatic-like compounds were 10 2 -10 3 times higher than those of the targeted polycyclic aromatic hydrocarbons, with a relevant contribution of an aromatic unresolved complex mixture. These concentrations drive a large global deposition of carbon, estimated at 400 Tg C yr -1, around 15% of the oceanic CO2 uptake. © 2016 Macmillan Publishers Limited.

Determination of saturation functions and wettability for chalk based on measured fluid saturations

Energy Technology Data Exchange (ETDEWEB)

Olsen, D.; Bech, N.; Moeller Nielsen, C.

1998-08-01

The end effect of displacement experiments on low permeable porous media is used for determination of relative permeability functions and capillary pressure functions. Saturation functions for a drainage process are determined from a primary drainage experiment. A reversal of the flooding direction creates an intrinsic imbibition process in the sample, which enables determination if imbibition saturation functions. The saturation functions are determined by a parameter estimation technique. Scanning effects are modelled by the method of Killough. Saturation profiles are determined by NMR. (au)

Arginine-aromatic interactions and their effects on arginine-induced solubilization of aromatic solutes and suppression of protein aggregation

KAUST Repository

Shah, Dhawal

2011-09-21

We examine the interaction of aromatic residues of proteins with arginine, an additive commonly used to suppress protein aggregation, using experiments and molecular dynamics simulations. An aromatic-rich peptide, FFYTP (a segment of insulin), and lysozyme and insulin are used as model systems. Mass spectrometry shows that arginine increases the solubility of FFYTP by binding to the peptide, with the simulations revealing the predominant association of arginine to be with the aromatic residues. The calculations further show a positive preferential interaction coefficient, Γ XP, contrary to conventional thinking that positive Γ XP\\'s indicate aggregation rather than suppression of aggregation. Simulations with lysozyme and insulin also show arginine\\'s preference for aromatic residues, in addition to acidic residues. We use these observations and earlier results reported by us and others to discuss the possible implications of arginine\\'s interactions with aromatic residues on the solubilization of aromatic moieties and proteins. Our results also highlight the fact that explanations based purely on Γ XP, which measures average affinity of an additive to a protein, could obscure or misinterpret the underlying molecular mechanisms behind additive-induced suppression of protein aggregation. © 2011 American Institute of Chemical Engineers (AIChE).

Arginine-aromatic interactions and their effects on arginine-induced solubilization of aromatic solutes and suppression of protein aggregation

KAUST Repository

Shah, Dhawal; Li, Jianguo; Shaikh, Abdul Rajjak; Rajagopalan, Raj

2011-01-01

We examine the interaction of aromatic residues of proteins with arginine, an additive commonly used to suppress protein aggregation, using experiments and molecular dynamics simulations. An aromatic-rich peptide, FFYTP (a segment of insulin), and lysozyme and insulin are used as model systems. Mass spectrometry shows that arginine increases the solubility of FFYTP by binding to the peptide, with the simulations revealing the predominant association of arginine to be with the aromatic residues. The calculations further show a positive preferential interaction coefficient, Γ XP, contrary to conventional thinking that positive Γ XP's indicate aggregation rather than suppression of aggregation. Simulations with lysozyme and insulin also show arginine's preference for aromatic residues, in addition to acidic residues. We use these observations and earlier results reported by us and others to discuss the possible implications of arginine's interactions with aromatic residues on the solubilization of aromatic moieties and proteins. Our results also highlight the fact that explanations based purely on Γ XP, which measures average affinity of an additive to a protein, could obscure or misinterpret the underlying molecular mechanisms behind additive-induced suppression of protein aggregation. © 2011 American Institute of Chemical Engineers (AIChE).

One-step hydroprocessing of fatty acids into renewable aromatic hydrocarbons over Ni/HZSM-5: insights into the major reaction pathways.

Science.gov (United States)

Xing, Shiyou; Lv, Pengmei; Wang, Jiayan; Fu, Junying; Fan, Pei; Yang, Lingmei; Yang, Gaixiu; Yuan, Zhenhong; Chen, Yong

2017-01-25

For high caloricity and stability in bio-aviation fuels, a certain content of aromatic hydrocarbons (AHCs, 8-25 wt%) is crucial. Fatty acids, obtained from waste or inedible oils, are a renewable and economic feedstock for AHC production. Considerable amounts of AHCs, up to 64.61 wt%, were produced through the one-step hydroprocessing of fatty acids over Ni/HZSM-5 catalysts. Hydrogenation, hydrocracking, and aromatization constituted the principal AHC formation processes. At a lower temperature, fatty acids were first hydrosaturated and then hydrodeoxygenated at metal sites to form long-chain hydrocarbons. Alternatively, the unsaturated fatty acids could be directly deoxygenated at acid sites without first being saturated. The long-chain hydrocarbons were cracked into gases such as ethane, propane, and C 6 -C 8 olefins over the catalysts' Brønsted acid sites; these underwent Diels-Alder reactions on the catalysts' Lewis acid sites to form AHCs. C 6 -C 8 olefins were determined as critical intermediates for AHC formation. As the Ni content in the catalyst increased, the Brønsted-acid site density was reduced due to coverage by the metal nanoparticles. Good performance was achieved with a loading of 10 wt% Ni, where the Ni nanoparticles exhibited a polyhedral morphology which exposed more active sites for aromatization.

Mechanics of non-saturated soils

International Nuclear Information System (INIS)

Coussy, O.; Fleureau, J.M.

2002-01-01

This book presents the different ways to approach the mechanics of non saturated soils, from the physico-chemical aspect to the mechanical aspect, from the experiment to the theoretical modeling, from the laboratory to the workmanship, and from the microscopic scale to the macroscopic one. Content: water and its representation; experimental bases of the behaviour of non-saturated soils; transfer laws in non-saturated environment; energy approach of the behaviour of non-saturated soils; homogenization for the non-saturated soils; plasticity and hysteresis; dams and backfilling; elaborated barriers. (J.S.)

Energy of Intramolecular Hydrogen Bonding in ortho-Hydroxybenzaldehydes, Phenones and Quinones. Transfer of Aromaticity from ipso-Benzene Ring to the Enol System(s

Directory of Open Access Journals (Sweden)

Danuta Rusinska-Roszak

2017-03-01

Full Text Available Intramolecular hydrogen bonding (HB is one of the most studied noncovalent interactions of molecules. Many physical, spectral, and topological properties of compounds are under the influence of HB, and there are many parameters used to notice and to describe these changes. Hitherto, no general method of measurement of the energy of intramolecular hydrogen bond (EHB has been put into effect. We propose the molecular tailoring approach (MTA for EHB calculation, modified to apply it to Ar-O-H∙∙∙O=C systems. The method, based on quantum calculations, was checked earlier for hydroxycarbonyl-saturated compounds, and for structures with resonance-assisted hydrogen bonding (RAHB. For phenolic compounds, the accuracy, repeatability, and applicability of the method is now confirmed for nearly 140 structures. For each structure its aromaticity HOMA indices were calculated for the central (ipso ring and for the quasiaromatic rings given by intramolecular HB. The comparison of calculated HB energies and values of estimated aromaticity indices allowed us to observe, in some substituted phenols and quinones, the phenomenon of transfer of aromaticity from the ipso-ring to the H-bonded ring via the effect of electron delocalization.

Survey of benzene and aromatics in Canadian Gasoline - 1994

International Nuclear Information System (INIS)

Tushingham, M.

1996-01-01

A comprehensive database of the benzene and aromatics levels of gasoline produced in or imported into Canada during 1994, was presented. Environment Canada conducted a survey that requested refineries and importers to report quarterly on benzene and aromatics levels in gasoline. Benzene, which has been declared toxic by the Canadian Environmental Protection Act, is found in gasoline and is formed during the combustion of the aromatic components of gasoline. It was shown that benzene and aromatics levels differ regionally and seasonally. There are also variations in benzene levels between batches of gasoline produced at any one refinery. This report listed the responses to the benzene/aromatics survey. It also described the analytical procedures used to measure benzene and aromatics levels in gasoline, and provided guidelines for reporting gasoline benzene and total aromatics data. 7 tabs., 21 figs

Bicyclic Baird-type aromaticity

Science.gov (United States)

Cha, Won-Young; Kim, Taeyeon; Ghosh, Arindam; Zhang, Zhan; Ke, Xian-Sheng; Ali, Rashid; Lynch, Vincent M.; Jung, Jieun; Kim, Woojae; Lee, Sangsu; Fukuzumi, Shunichi; Park, Jung Su; Sessler, Jonathan L.; Chandrashekar, Tavarekere K.; Kim, Dongho

2017-12-01

Classic formulations of aromaticity have long been associated with topologically planar conjugated macrocyclic systems. The theoretical possibility of so-called bicycloaromaticity was noted early on. However, it has yet to be demonstrated by experiment in a simple synthetic organic molecule. Conjugated organic systems are attractive for studying the effect of structure on electronic features. This is because, in principle, they can be modified readily through dedicated synthesis. As such, they can provide useful frameworks for testing by experiment with fundamental insights provided by theory. Here we detail the synthesis and characterization of two purely organic non-planar dithienothiophene-bridged [34]octaphyrins that permit access to two different aromatic forms as a function of the oxidation state. In their neutral forms, these congeneric systems contain competing 26 and 34 π-electronic circuits. When subject to two-electron oxidation, electronically mixed [4n+1]/[4n+1] triplet biradical species in the ground state are obtained that display global aromaticity in accord with Baird's rule.

Protocol for the development of the Master Chemical Mechanism, MCM v3 (Part B: tropospheric degradation of aromatic volatile organic compounds

Directory of Open Access Journals (Sweden)

M. E. Jenkin

2003-01-01

Full Text Available Kinetic and mechanistic data relevant to the tropospheric degradation of aromatic volatile organic compounds (VOC have been used to define a mechanism development protocol, which has been used to construct degradation schemes for 18 aromatic VOC as part of version 3 of the Master Chemical Mechanism (MCM v3. This is complementary to the treatment of 107 non-aromatic VOC, presented in a companion paper. The protocol is divided into a series of subsections describing initiation reactions, the degradation chemistry to first generation products via a number of competitive routes, and the further degradation of first and subsequent generation products. Emphasis is placed on describing where the treatment differs from that applied to the non-aromatic VOC. The protocol is based on work available in the open literature up to the beginning of 2001, and some other studies known by the authors which were under review at the time. Photochemical Ozone Creation Potentials (POCP have been calculated for the 18 aromatic VOC in MCM v3 for idealised conditions appropriate to north-west Europe, using a photochemical trajectory model. The POCP values provide a measure of the relative ozone forming abilities of the VOC. These show distinct differences from POCP values calculated previously for the aromatics, using earlier versions of the MCM, and reasons for these differences are discussed.

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.

How non-conventional feedstocks will affect aromatics technologies

Energy Technology Data Exchange (ETDEWEB)

Koehler, E. [Clariant Produkte (Deutschland) GmbH, Muenchen (Germany)

2013-11-01

The abundance of non-conventional feedstocks such as coal and shale gas has begun to affect the availability of traditional base chemicals such as propylene and BTX aromatics. Although this trend is primarily fueled by the fast growing shale gas economy in the US and the abundance of coal in China, it will cause the global supply and demand situation to equilibrate across the regions. Lower demand for gasoline and consequently less aromatics rich reformate from refineries will further tighten the aromatics markets that are expected to grow at healthy rates, however. Refiners can benefit from this trend by abandoning their traditional fuel-oriented business model and becoming producers of petrochemical intermediates, with special focus on paraxylene (PX). Cheap gas from coal (via gasification) or shale reserves is an advantaged feedstock that offers a great platform to make aromatics in a cost-competitive manner, especially in regions where naphtha is in short supply. Gas condensates (LPG and naphtha) are good feedstocks for paraffin aromatization, and methanol from coal or (shale) gas can be directly converted to BTX aromatics (MTA) or alkylated with benzene or toluene to make paraxylene. Most of today's technologies for the production and upgrading of BTX aromatics and their derivatives make use of the unique properties of zeolites. (orig.)

Femoral venous oxygen saturation is no surrogate for central venous oxygen saturation

NARCIS (Netherlands)

van Beest, Paul A.; van der Schors, Alice; Liefers, Henriëtte; Coenen, Ludo G. J.; Braam, Richard L.; Habib, Najib; Braber, Annemarije; Scheeren, Thomas W. L.; Kuiper, Michaël A.; Spronk, Peter E.

2012-01-01

Objective: The purpose of our study was to determine if central venous oxygen saturation and femoral venous oxygen saturation can be used interchangeably during surgery and in critically ill patients. Design: Prospective observational controlled study. Setting: Nonacademic university-affiliated

Metabolism and Biomarkers of Heterocyclic Aromatic Amines in Molecular Epidemiology Studies: Lessons Learned from Aromatic Amines

Science.gov (United States)

2011-01-01

Aromatic amines and heterocyclic aromatic amines (HAAs) are structurally related classes of carcinogens that are formed during the combustion of tobacco or during the high-temperature cooking of meats. Both classes of procarcinogens undergo metabolic activation by N-hydroxylation of the exocyclic amine group, to produce a common proposed intermediate, the arylnitrenium ion, which is the critical metabolite implicated in toxicity and DNA damage. However, the biochemistry and chemical properties of these compounds are distinct and different biomarkers of aromatic amines and HAAs have been developed for human biomonitoring studies. Hemoglobin adducts have been extensively used as biomarkers to monitor occupational and environmental exposures to a number of aromatic amines; however, HAAs do not form hemoglobin adducts at appreciable levels and other biomarkers have been sought. A number of epidemiologic studies that have investigated dietary consumption of well-done meat in relation to various tumor sites reported a positive association between cancer risk and well-done meat consumption, although some studies have shown no associations between well-done meat and cancer risk. A major limiting factor in most epidemiological studies is the uncertainty in quantitative estimates of chronic exposure to HAAs and, thus, the association of HAAs formed in cooked meat and cancer risk has been difficult to establish. There is a critical need to establish long-term biomarkers of HAAs that can be implemented in molecular epidemioIogy studies. In this review article, we highlight and contrast the biochemistry of several prototypical carcinogenic aromatic amines and HAAs to which humans are chronically exposed. The biochemical properties and the impact of polymorphisms of the major xenobiotic-metabolizing enzymes on the biological effects of these chemicals are examined. Lastly, the analytical approaches that have been successfully employed to biomonitor aromatic amines and HAAs, and

Aromatization of n-octane over Pd/C catalysts

KAUST Repository

Yin, Mengchen; Natelson, Robert H.; Campos, Andrew A.; Kolar, Praveen; Roberts, William L.

2013-01-01

Gas-phase aromatization of n-octane was investigated using Pd/C catalyst. The objectives were to: (1) determine the effects of temperature (400-600 °C), weight hourly space velocity (WHSV) (0.8-∞), and hydrogen to hydrocarbon molar ratio (MR) (0-6) on conversion, selectivity, and yield (2) compare the activity of Pd/C with Pt/C and Pt/KL catalysts and (3) test the suitability of Pd/C for aromatization of different alkanes including n-hexane, n-heptane, and n-octane. Pd/C exhibited the best aromatization performance, including 54.4% conversion and 31.5% aromatics yield at 500 °C, WHSV = 2 h-1, and a MR of 2. The Pd/C catalyst had higher selectivity towards the preferred aromatics including ethylbenzene and xylenes, whereas Pt/KL had higher selectivity towards benzene and toluene. The results were somewhat consistent with adsorbed n-octane cyclization proceeding mainly through the six-membered ring closure mechanism. In addition, Pd/C was also capable of catalyzing aromatization of n-hexane and n-heptane. © 2012 Elsevier Ltd. All rights reserved.

Dispersion of extensional waves in fluid-saturated porous cylinders at ultrasonic frequencies

International Nuclear Information System (INIS)

Berryman, J.G.

1983-01-01

Ultrasonic dispersion of extensional waves in fluid-saturated porous cylinders is studied by analyzing generalized Pochhammer equations derived using Biot's theory. Cases with open-pore surface and closed-pore surface boundary conditions are considered. For both cases, the dispersion of the fast extensional wave does not differ much qualitatively from the dispersion expected for extensional waves in isotropic elastic cylinders. A slow extensional wave propagates in the case with a closed-pore surface but not in the case with an open-pore surface. The propagating slow wave has very weak dispersion and its speed is always lower than, but close to, the bulk slow wave speed

Femoral venous oxygen saturation is no surrogate for central venous oxygen saturation

NARCIS (Netherlands)

van Beest, Paul A.; van der Schors, Alice; Liefers, Henriette; Coenen, Ludo G. J.; Braam, Richard L.; Habib, Najib; Braber, Annemarije; Scheeren, Thomas W. L.; Kuiper, Michael A.; Spronk, Peter E.

2012-01-01

Objective:  The purpose of our study was to determine if central venous oxygen saturation and femoral venous oxygen saturation can be used interchangeably during surgery and in critically ill patients. Design:  Prospective observational controlled study. Setting:  Nonacademic university-affiliated

Seismic Evaluation of Hydrocarbon Saturation in Deep-Water Reservoirs

Energy Technology Data Exchange (ETDEWEB)

Michael Batzle

2006-04-30

During this last period of the ''Seismic Evaluation of Hydrocarbon Saturation in Deep-Water Reservoirs'' project (Grant/Cooperative Agreement DE-FC26-02NT15342), we finalized integration of rock physics, well log analysis, seismic processing, and forward modeling techniques. Most of the last quarter was spent combining the results from the principal investigators and come to some final conclusions about the project. Also much of the effort was directed towards technology transfer through the Direct Hydrocarbon Indicators mini-symposium at UH and through publications. As a result we have: (1) Tested a new method to directly invert reservoir properties, water saturation, Sw, and porosity from seismic AVO attributes; (2) Constrained the seismic response based on fluid and rock property correlations; (3) Reprocessed seismic data from Ursa field; (4) Compared thin layer property distributions and averaging on AVO response; (5) Related pressures and sorting effects on porosity and their influence on DHI's; (6) Examined and compared gas saturation effects for deep and shallow reservoirs; (7) Performed forward modeling using geobodies from deepwater outcrops; (8) Documented velocities for deepwater sediments; (9) Continued incorporating outcrop descriptive models in seismic forward models; (10) Held an open DHI symposium to present the final results of the project; (11) Relations between Sw, porosity, and AVO attributes; (12) Models of Complex, Layered Reservoirs; and (14) Technology transfer Several factors can contribute to limit our ability to extract accurate hydrocarbon saturations in deep water environments. Rock and fluid properties are one factor, since, for example, hydrocarbon properties will be considerably different with great depths (high pressure) when compared to shallow properties. Significant over pressure, on the other hand will make the rocks behave as if they were shallower. In addition to the physical properties, the scale and

AN AROMATIC INVENTORY OF THE LOCAL VOLUME

International Nuclear Information System (INIS)

Marble, A. R.; Engelbracht, C. W.; Block, M.; Van Zee, L.; Dale, D. A.; Cohen, S. A.; Schuster, M. D.; Smith, J. D. T.; Gordon, K. D.; Wu, Y.; Lee, J. C.; Kennicutt, R. C.; Skillman, E. D.; Johnson, L. C.; Calzetti, D.; Lee, H.

2010-01-01

Using infrared photometry from the Spitzer Space Telescope, we perform the first inventory of aromatic feature emission (also commonly referred to as polycyclic aromatic hydrocarbon emission) for a statistically complete sample of star-forming galaxies in the local volume. The photometric methodology involved is calibrated and demonstrated to recover the aromatic fraction of the Infrared Array Camera 8 μm flux with a standard deviation of 6% for a training set of 40 SINGS galaxies (ranging from stellar to dust dominated) with both suitable mid-infrared Spitzer Infrared Spectrograph spectra and equivalent photometry. A potential factor of 2 improvement could be realized with suitable 5.5 μm and 10 μm photometry, such as what may be provided in the future by the James Webb Space Telescope. The resulting technique is then applied to mid-infrared photometry for the 258 galaxies from the Local Volume Legacy (LVL) survey, a large sample dominated in number by low-luminosity dwarf galaxies for which obtaining comparable mid-infrared spectroscopy is not feasible. We find the total LVL luminosity due to five strong aromatic features in the 8 μm complex to be 2.47 x 10 10 L sun with a mean volume density of 8.8 x 10 6 L sun Mpc -3 . Twenty-four of the LVL galaxies, corresponding to a luminosity cut at M B = -18.22, account for 90% of the aromatic luminosity. Using oxygen abundances compiled from the literature for 129 of the 258 LVL galaxies, we find a correlation between metallicity and the aromatic-to-total infrared emission ratio but not the aromatic-to-total 8 μm dust emission ratio. A possible explanation is that metallicity plays a role in the abundance of aromatic molecules relative to the total dust content, but other factors, such as star formation and/or the local radiation field, affect the excitation of those molecules.

Fused aromatic thienopyrazines: structure, properties and function

KAUST Repository

Mondal, Rajib; Ko, Sangwon; Bao, Zhenan

2010-01-01

Recent development of a fused aromatic thieno[3.4-b]pyrazine system and their application in optoelectronic devices are reviewed. Introduction of a fused aromatic unit followed by side chain engineering, dramatically enhanced the charge carrier

Production of Polystyrene Open-celled Microcellular Foam in Batch Process by Super Critical CO2

Directory of Open Access Journals (Sweden)

M.S. Enayati

2010-12-01

Full Text Available Open-celled foams are capable to allow the passage of fluids through their structure, because of interconnections between the open cells or bubbles and therefore these structures can be used as a membrane and filter. In thiswork, we have studied the production of polystyrene open-celled microcellular foam by using CO2 as blowing agent. To achieve such structures, it is necessary to control the stages of growth in such a way that the cells would connect to each other through the pores without any coalescence. The required processing condition to achieve open-celled structures is predictable by a model theory of opened-cell. This model suggests that at least a 130 bar saturation pressure and foaming time between 9 and 58 s are required for this system. The temperature range has been selected for to be both higher than polymer glass transition temperature and facilitating the foaming process. Experimental results in the batch foaming process has verified the model quite well. The SEM and mercury porousimetry tests show the presence of pores between the cells with open-celled structure. Experimental results show that by increasing the saturation pressure and the foaming temperature, there is a drop in the time required for open-celled structure formation. A 130 bar saturation pressure, 150o C foaming temperature and 60 s foaming time, suggest the attainment of open-celled microcellular foam based on polystyrene/CO2 system in the batch process.

A method of refining aromatic hydrocarbons from coal chemical production

Energy Technology Data Exchange (ETDEWEB)

Zieborak, K.; Koprowski, A.; Ratajczak, W.

1979-10-01

A method is disclosed for refining aromatic hydrocarbons of coal chemical production by contact of liquid aromatic hydrocarbons and their mixtures with a strongly acid macroporous sulfocationite in the H-form at atmospheric pressure and high temperature. The method is distinguished in that the aromatic hydrocarbons and their mixtures, from which alkali compounds have already been removed, are supplied for refinement with the sulfocationite with simultaneous addition of olefin derivatives of aromatic hydrocarbons, followed by separation of pure hydrocarbons by rectification. Styrene or alpha-methylstyrene is used as the olefin derivatives of the aromatic hydrocarbons. The method is performed in several stages with addition of olefin derivatives of aromatic hydrocarbons at each stage.

International congress on aromatic and medicinal plants

International Nuclear Information System (INIS)

2009-01-01

Full Text : In Morocco, medicinal and aromatic plants occupy an important place in the traditional care system of a large number of local people. They are also economically strong potential, but unfortunately they are not valued enough. Indeed, Morocco by its privileged geographical position in the Mediterranean basin and its floristic diversity (with a total of over 4,200 species and subspecies of which over 500 are recognized as medicinal and aromatic plants), is a leading provider of traditional global market. In this context and given the back label of the natural global, group research and studies on Aromatic and Medicinal Plants (GREPAM), the Faculty of Semlalia and University Cadi Ayyad, organize: the International Congress on Medicinal and Aromatic Plants CIPAM 2009. The organization of this conference is part of scientific research developed by the GREPAM. [fr

Hexacoordinate bonding and aromaticity in silicon phthalocyanine.

Science.gov (United States)

Yang, Yang

2010-12-23

Si-E bondings in hexacoordinate silicon phthalocyanine were analyzed using bond order (BO), energy partition, atoms in molecules (AIM), electron localization function (ELF), and localized orbital locator (LOL). Bond models were proposed to explain differences between hexacoordinate and tetracoordinate Si-E bondings. Aromaticity of silicon phthalocyanine was investigated using nucleus-independent chemical shift (NICS), harmonic oscillator model of aromaticity (HOMA), conceptual density functional theory (DFT), ring critical point (RCP) descriptors, and delocalization index (DI). Structure, energy, bonding, and aromaticity of tetracoordinate silicon phthalocyanine were studied and compared with hexacoordinate one.

40 CFR 721.5762 - Aromatic aldehyde phenolic resin (generic).

Science.gov (United States)

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Aromatic aldehyde phenolic resin... Specific Chemical Substances § 721.5762 Aromatic aldehyde phenolic resin (generic). (a) Chemical substance... aromatic aldehyde phenolic resin (PMN P-01-573) is subject to reporting under this section for the...

Aromatic VOCs global influence in the ozone production

Science.gov (United States)

Cabrera-Perez, David; Pozzer, Andrea

2016-04-01

Aromatic hydrocarbons are a subgroup of Volatile Organic Compounds (VOCs) of special interest in the atmosphere of urban and semi-urban areas. Aromatics form a high fraction of VOCs, are highly reactive and upon oxidation they are an important source of ozone. These group of VOCs are released to the atmosphere by processes related to biomass burning and fossil fuel consumption, while they are removed from the atmosphere primarily by OH reaction and by dry deposition. In addition, a branch of aromatics (ortho-nitrophenols) produce HONO upon photolysis, which is responsible of certain amount of the OH recycling. Despite their importance in the atmosphere in anthropogenic polluted areas, the influence of aromatics in the ozone production remains largely unknown. This is of particular relevance, being ozone a pollutant with severe side effects on air quality, health and climate. In this work the atmospheric impacts at global scale of the most emitted aromatic VOCs in the gas phase (benzene, toluene, xylenes, ethylbenzene, styrene, phenol, benzaldehyde and trimethylbenzenes) are analysed and assessed. Specifically, the impact on ozone due to aromatic oxidation is estimated, as this is of great interest in large urban areas and can be helpful for developing air pollution control strategies. Further targets are the quantification of the NOx loss and the OH recycling due to aromatic oxidation. In order to investigate these processes, two simulations were performed with the numerical chemistry and climate simulation ECHAM/MESSy Atmospheric Chemistry (EMAC) model. The simulations compare two cases, one with ozone concentrations when aromatics are present or the second one when they are missing. Finally, model simulated ozone is compared against a global set of observations in order to better constrain the model accuracy.

Recent Advances in Microbial Production of Aromatic Chemicals and Derivatives.

Science.gov (United States)

Noda, Shuhei; Kondo, Akihiko

2017-08-01

Along with the development of metabolic engineering and synthetic biology tools, various microbes are being used to produce aromatic chemicals. In microbes, aromatics are mainly produced via a common important precursor, chorismate, in the shikimate pathway. Natural or non-natural aromatics have been produced by engineering metabolic pathways involving chorismate. In the past decade, novel approaches have appeared to produce various aromatics or to increase their productivity, whereas previously, the targets were mainly aromatic amino acids and the strategy was deregulating feedback inhibition. In this review, we summarize recent studies of microbial production of aromatics based on metabolic engineering approaches. In addition, future perspectives and challenges in this research area are discussed. Copyright © 2017 Elsevier Ltd. All rights reserved.

SATURATED ZONE IN-SITU TESTING

Energy Technology Data Exchange (ETDEWEB)

P.W. REIMUS

2004-11-08

The purpose of this scientific analysis is to document the results and interpretations of field experiments that test and validate conceptual flow and radionuclide transport models in the saturated zone (SZ) near Yucca Mountain, Nevada. The test interpretations provide estimates of flow and transport parameters used in the development of parameter distributions for total system performance assessment (TSPA) calculations. These parameter distributions are documented in ''Site-Scale Saturated Zone Flow Model (BSC 2004 [DIRS 170037]), Site-Scale Saturated Zone Transport'' (BSC 2004 [DIRS 170036]), Saturated Zone Colloid Transport (BSC 2004 [DIRS 170006]), and ''Saturated Zone Flow and Transport Model Abstraction'' (BSC 2004 [DIRS 170042]). Specifically, this scientific analysis contributes the following to the assessment of the capability of the SZ to serve as part of a natural barrier for waste isolation for the Yucca Mountain repository system: (1) The bases for selection of conceptual flow and transport models in the saturated volcanics and the saturated alluvium located near Yucca Mountain. (2) Results and interpretations of hydraulic and tracer tests conducted in saturated fractured volcanics at the C-wells complex near Yucca Mountain. The test interpretations include estimates of hydraulic conductivities, anisotropy in hydraulic conductivity, storativities, total porosities, effective porosities, longitudinal dispersivities, matrix diffusion mass transfer coefficients, matrix diffusion coefficients, fracture apertures, and colloid transport parameters. (3) Results and interpretations of hydraulic and tracer tests conducted in saturated alluvium at the Alluvial Testing Complex (ATC) located at the southwestern corner of the Nevada Test Site (NTS). The test interpretations include estimates of hydraulic conductivities, storativities, total porosities, effective porosities, longitudinal dispersivities, matrix diffusion mass

SATURATED ZONE IN-SITU TESTING

International Nuclear Information System (INIS)

REIMUS, P.W.

2004-01-01

The purpose of this scientific analysis is to document the results and interpretations of field experiments that test and validate conceptual flow and radionuclide transport models in the saturated zone (SZ) near Yucca Mountain, Nevada. The test interpretations provide estimates of flow and transport parameters used in the development of parameter distributions for total system performance assessment (TSPA) calculations. These parameter distributions are documented in ''Site-Scale Saturated Zone Flow Model (BSC 2004 [DIRS 170037]), Site-Scale Saturated Zone Transport'' (BSC 2004 [DIRS 170036]), Saturated Zone Colloid Transport (BSC 2004 [DIRS 170006]), and ''Saturated Zone Flow and Transport Model Abstraction'' (BSC 2004 [DIRS 170042]). Specifically, this scientific analysis contributes the following to the assessment of the capability of the SZ to serve as part of a natural barrier for waste isolation for the Yucca Mountain repository system: (1) The bases for selection of conceptual flow and transport models in the saturated volcanics and the saturated alluvium located near Yucca Mountain. (2) Results and interpretations of hydraulic and tracer tests conducted in saturated fractured volcanics at the C-wells complex near Yucca Mountain. The test interpretations include estimates of hydraulic conductivities, anisotropy in hydraulic conductivity, storativities, total porosities, effective porosities, longitudinal dispersivities, matrix diffusion mass transfer coefficients, matrix diffusion coefficients, fracture apertures, and colloid transport parameters. (3) Results and interpretations of hydraulic and tracer tests conducted in saturated alluvium at the Alluvial Testing Complex (ATC) located at the southwestern corner of the Nevada Test Site (NTS). The test interpretations include estimates of hydraulic conductivities, storativities, total porosities, effective porosities, longitudinal dispersivities, matrix diffusion mass transfer coefficients, and colloid

Automatic NAA. Saturation activities

International Nuclear Information System (INIS)

Westphal, G.P.; Grass, F.; Kuhnert, M.

2008-01-01

A system for Automatic NAA is based on a list of specific saturation activities determined for one irradiation position at a given neutron flux and a single detector geometry. Originally compiled from measurements of standard reference materials, the list may be extended also by the calculation of saturation activities from k 0 and Q 0 factors, and f and α values of the irradiation position. A systematic improvement of the SRM approach is currently being performed by pseudo-cyclic activation analysis, to reduce counting errors. From these measurements, the list of saturation activities is recalculated in an automatic procedure. (author)

Analogs of solid nanoparticles as precursors of aromatic hydrocarbons

Science.gov (United States)

Gadallah, K. A. K.; Mutschke, H.; Jäger, C.

2013-06-01

Context. Aromatic =CH and C=C vibrational bands have been observed within shocked interstellar regions, indicating the presence of aromatic emission carriers such as PAHs, which may have been created from adjacent molecular cloud material by interaction with a shock front. Aims: We investigate the evolution of the aromatic =CH and C=C vibrational modes at 3.3 and 6.2 μm wavelength in heated HAC materials, PAHs and mixed PAHs and HACs, respectively, aiming at an explanation of the evolution of carbonaceous dust grains in the shocked regions. Methods: Materials used in these analogs (HAC and PAH materials) were prepared by the laser ablation and the laser pyrolysis methods, respectively. The transmission electron microscopy (TEM) in high-resolution mode was used as an analytical technique to characterize the aromatic layers in HACs. Spectroscopic analysis was prformed in the mid-IR range. Results: A remarkable destruction of aliphatic structures in HACs has been observed with the thermal processing, while aromatic structures become dominating by increasing the diameters of the graphene layers. The aromatic bands at 3.3 and 6.2 μm, observed in the laboratory spectra of PAHs and of the combination of the PAHs and HAC materials, are also clearly observed in the spectrum of the heated HACs. These bands agree with those of aromatic bands observed in astronomical observations. Conclusions: Aromatization of HACs could be a pre-stage in the decomposition process of hydrocarbons that form PAH-clusters in such hot interstellar medium.

Detection of chlorinated aromatic compounds

Science.gov (United States)

Ekechukwu, A.A.

1996-02-06

A method for making a composition for measuring the concentration of chlorinated aromatic compounds in aqueous fluids, and an optical probe for use with the method are disclosed. The composition comprises a hydrophobic polymer matrix, preferably polyamide, with a fluorescent indicator uniformly dispersed therein. The indicator fluoresces in the presence of the chlorinated aromatic compounds with an intensity dependent on the concentration of these compounds in the fluid of interest, such as 8-amino-2-naphthalene sulfonate. The probe includes a hollow cylindrical housing that contains the composition in its distal end. The probe admits an aqueous fluid to the probe interior for exposure to the composition. An optical fiber transmits excitation light from a remote source to the composition while the indicator reacts with chlorinated aromatic compounds present in the fluid. The resulting fluorescence light signal is reflected to a second optical fiber that transmits the light to a spectrophotometer for analysis. 5 figs.

Optimization measurement of muscle oxygen saturation under isometric studies using FNIRS

Science.gov (United States)

Halim, A. A. A.; Laili, M. H.; Salikin, M. S.; Rusop, M.

2018-05-01

Development of functional near infrared spectroscopy (fNIRS) technologies has advanced quantification signal using multiple wavelength and detector to investigate hemodynamic response in human muscle. These non-invasive technologies have been widely used to solve the propagation of light inside the tissues including the absorption, scattering coefficient and to quantify the oxygenation level of haemoglobin and myoglobin in human muscle. The goal of this paper is to optimize the measurement of muscle oxygen saturation during isometric exercise using functional near infrared spectroscopy (fNIRS). The experiment was carried out on 15 sedentary healthy male volunteers. All volunteers are required to perform an isometric exercise at three assessment of muscular fatigue's level on flexor digitalis (FDS) muscle in the human forearm using fNIRS. The slopes of the signals have been highlighted to evaluate the muscle oxygen saturation of regional muscle fatigue. As a result, oxygen saturation slope from 10% exercise showed steeper than the first assessment at 30%-50% of fatigues level. The hemodynamic signal response showed significant value (p=0.04) at all three assessment of muscular fatigue's level which produce a p-value (p<0.05) measured by fNIRS. Thus, this highlighted parameter could be used to estimate fatigue's level of human and could open other possibilities to study muscle performance diagnosis.

Protonation sites of aromatic compounds in (+) atmospheric pressure photoionization

Energy Technology Data Exchange (ETDEWEB)

Kim, Sung Hwan; Ahmed, Arif [Dept. of Chemistry, Kyungpoo k National University, Daegu (Korea, Republic of)

2017-02-15

Reaction enthalpy of hydrogen transfer reactions of aromatic compounds has been observed to be greatly affected by the exact location of the protonation site. Therefore, to clearly identify the protonation location, each candidate protonation site for 43 aromatic compounds were theoretically determined and their location was compared with that determined based on experimental MS data. Only the basic nitrogen atom is favorable as a protonation site for pyridine-type aromatic compounds, whereas carbon atoms are preferable for the protonation of pyrrole-type compounds. The most favorable protonation sites for aniline or methylated aniline-type aromatic compounds are either the nitrogen atom in the amine group or the carbon atom at the para-position to the amine group. Like pyrrole-type compounds, aromatic compounds with amine groups also favor protonation at the carbon atom instead of at the nitrogen atom. In addition, hydrocarbons having an anthracene structural motif without heteroatoms produced higher or equal percentages of protonated ions compared to that achieved with molecular ions. The results of this study can be used to improve the analyses of aromatic compounds.

Fault tolerant control of systems with saturations

DEFF Research Database (Denmark)

Niemann, Hans Henrik

2013-01-01

This paper presents framework for fault tolerant controllers (FTC) that includes input saturation. The controller architecture known from FTC is based on the Youla-Jabr-Bongiorno-Kucera (YJBK) parameterization is extended to handle input saturation. Applying this controller architecture in connec......This paper presents framework for fault tolerant controllers (FTC) that includes input saturation. The controller architecture known from FTC is based on the Youla-Jabr-Bongiorno-Kucera (YJBK) parameterization is extended to handle input saturation. Applying this controller architecture...... in connection with faulty systems including input saturation gives an additional YJBK transfer function related to the input saturation. In the fault free case, this additional YJBK transfer function can be applied directly for optimizing the feedback loop around the input saturation. In the faulty case......, the design problem is a mixed design problem involved both parametric faults and input saturation....

The mutagenic potential of high flash aromatic naphtha.

Science.gov (United States)

Schreiner, C A; Edwards, D A; McKee, R H; Swanson, M; Wong, Z A; Schmitt, S; Beatty, P

1989-06-01

Catalytic reforming is a refining process that converts naphthenes to aromatics by dehydrogenation to make higher octane gasoline blending components. A portion of this wide boiling range hydrocarbon stream can be separated by distillation and used for other purposes. One such application is a mixture of predominantly 9-carbon aromatic molecules (C9 aromatics, primarily isomers of ethyltoluene and trimethylbenzene), which is removed and used as a solvent--high-flash aromatic naphtha. A program was initiated to assess the toxicological properties of high-flash aromatic naphtha since there may be human exposure through inhalation or external body contact. The current study was conducted partly to assess the potential for mutagenic activity and also to assist in an assessment of carcinogenic potential. The specific tests utilized included the Salmonella/mammalian microsome mutagenicity assay, the hypoxanthine-guanine phosphoribosyl transferase (HGPRT) forward mutation assay in CHO cells, in vitro chromosome aberration and sister chromatid exchange (SCE) assays in CHO cells, and an in vivo chromosome aberration assay in rat bone marrow.

Effects of halogenated aromatics/aliphatics and nitrogen(N)-heterocyclic aromatics on estimating the persistence of future pharmaceutical compounds using a modified QSAR model.

Science.gov (United States)

Lim, Seung Joo; Fox, Peter

2014-02-01

The effects of halogenated aromatics/aliphatics and nitrogen(N)-heterocyclic aromatics on estimating the persistence of future pharmaceutical compounds were investigated using a modified half life equation. The potential future pharmaceutical compounds investigated were approximately 2000 pharmaceutical drugs currently undergoing the United States Food and Drug Administration (US FDA) testing. EPI Suite (BIOWIN) model estimates the fates of compounds based on the biodegradability under aerobic conditions. While BIOWIN considered the biodegradability of a compound only, the half life equation used in this study was modified by biodegradability, sorption and cometabolic oxidation. It was possible that the potential future pharmaceutical compounds were more accurately estimated using the modified half life equation. The modified half life equation considered sorption and cometabolic oxidation of halogenated aromatic/aliphatics and nitrogen(N)-heterocyclic aromatics in the sub-surface, while EPI Suite (BIOWIN) did not. Halogenated aliphatics in chemicals were more persistent than halogenated aromatics in the sub-surface. In addition, in the sub-surface environment, the fates of organic chemicals were much more affected by halogenation in chemicals than by nitrogen(N)-heterocyclic aromatics. © 2013.

Bio-Based Aromatic Epoxy Monomers for Thermoset Materials

Directory of Open Access Journals (Sweden)

Feifei Ng

2017-01-01

Full Text Available The synthesis of polymers from renewable resources is a burning issue that is actively investigated. Polyepoxide networks constitute a major class of thermosetting polymers and are extensively used as coatings, electronic materials, adhesives. Owing to their outstanding mechanical and electrical properties, chemical resistance, adhesion, and minimal shrinkage after curing, they are used in structural applications as well. Most of these thermosets are industrially manufactured from bisphenol A (BPA, a substance that was initially synthesized as a chemical estrogen. The awareness on BPA toxicity combined with the limited availability and volatile cost of fossil resources and the non-recyclability of thermosets implies necessary changes in the field of epoxy networks. Thus, substitution of BPA has witnessed an increasing number of studies both from the academic and industrial sides. This review proposes to give an overview of the reported aromatic multifunctional epoxide building blocks synthesized from biomass or from molecules that could be obtained from transformed biomass. After a reminder of the main glycidylation routes and mechanisms and the recent knowledge on BPA toxicity and legal issues, this review will provide a brief description of the main natural sources of aromatic molecules. The different epoxy prepolymers will then be organized from simple, mono-aromatic di-epoxy, to mono-aromatic poly-epoxy, to di-aromatic di-epoxy compounds, and finally to derivatives possessing numerous aromatic rings and epoxy groups.

Aromatic Plants as a Source of Bioactive Compounds

Directory of Open Access Journals (Sweden)

Panagiota Florou-Paneri

2012-09-01

Full Text Available Aromatic plants, also known as herbs and spices, have been used since antiquity as folk medicine and as preservatives in foods. The best known aromatic plants, such as oregano, rosemary, sage, anise, basil, etc., originate from the Mediterranean area. They contain many biologically active compounds, mainly polyphenolics, which have been found to possess antimicrobial, antioxidant, antiparasitic, antiprotozoal, antifungal, and anti-inflammatory properties. Currently, the demand for these plants and their derivatives has increased because they are natural, eco-friendly and generally recognized as safe products. Therefore, aromatic plants and their extracts have the potential to become new generation substances for human and animal nutrition and health. The purpose of this review is to provide an overview of the literature surrounding the in vivo and in vitro use of aromatic plants.

Characterizing polycyclic aromatic hydrocarbon build-up processes on urban road surfaces

International Nuclear Information System (INIS)

Liu, Liang; Liu, An; Li, Dunzhu; Zhang, Lixun; Guan, Yuntao

2016-01-01

Reliable prediction models are essential for modeling pollutant build-up processes on urban road surfaces. Based on successive samplings of road deposited sediments (RDS), this study presents empirical models for mathematical replication of the polycyclic aromatic hydrocarbon (PAH) build-up processes on urban road surfaces. The contaminant build-up behavior was modeled using saturation functions, which are commonly applied in US EPA's Stormwater Management Model (SWMM). Accurate fitting results were achieved in three typical urban land use types, and the applicability of the models was confirmed based on their acceptable relative prediction errors. The fitting results showed high variability in PAH saturation value and build-up rate among different land use types. Results of multivariate data and temporal-based analyses suggested that the quantity and property of RDS significantly influenced PAH build-up. Furthermore, pollution sources, traffic parameters, road surface conditions, and sweeping frequency could synthetically impact the RDS build-up and RDS property change processes. Thus, changes in these parameters could be the main reason for variations in PAH build-up in different urban land use types. - Highlights: • Sufficient robust prediction models were established for analysis of PAH build-up on urban road surfaces. • PAH build-up processes showed high variability among different land use types. • Pollution sources as well as the quantity and property of RDS mainly influenced PAH build-up. - Sufficient robust prediction models were established for analysis of PAH build-up on urban road surfaces. Pollution sources as well as the quantity and property of RDS mainly influenced PAH build-up.

The formation of aromatics and PAH's in laminar flames

International Nuclear Information System (INIS)

Marinov, N M; Pitz, W J; Westbrook, C K

1999-01-01

The formation of aromatics and PAH's is an important problem in combustion. These compounds are believed to contribute to the formation of soot whose emission from diesel engines is regulated widely throughout the industrial world. Additionally, the United States Environmental Protection Agency regulates the emission of many aromatics and PAH species from stationary industrial burners, under the 1990 Clean Air Act Amendments. The above emission regulations have created much interest in understanding how these species are formed in combustion systems. Much previous work has been done on aromatics and PAH's. The work is too extensive to review here, but is reviewed in Reference 1. A few recent developments are highlighted here. McEnally, Pfefferle and coworkers have studied aromatic, PAH and soot formation in a variety of non-premixed flames with hydrocarbon additives[2-4]. They found additives that contain a C5 ring increase the concentration of aromatics and soot[4]. Howard and coworkers have studied the formation of aromatic and PAH's in low pressure, premixed, laminar hydrocarbon flames. They found the cyclopentadienyl radical to be a key species in naphthalene formation in a fuel-rich, benzene/Ar/O2 flame[5

Quinoidal Oligo(9,10-anthryl)s with Chain-Length-Dependent Ground States: A Balance between Aromatic Stabilization and Steric Strain Release

KAUST Repository

Lim, Zhenglong

2015-11-12

Quinoidal π-conjugated polycyclic hydrocarbons have attracted intensive research interest due to their unique optical/electronic properties and possible magnetic activity, which arises from a thermally excited triplet state. However, there is still lack of fundamental understanding on the factors that determine the electronic ground states. Herein, by using quinoidal oligo(9,10-anthryl)s, it is demonstrated that both aromatic stabilisation and steric strain release play balanced roles in determining the ground states. Oligomers with up to four anthryl units were synthesised and their ground states were investigated by electronic absorption and electron spin resonance (ESR) spectroscopy, assisted by density functional theory (DFT) calculations. The quinoidal 9,10-anthryl dimer 1 has a closed-shell ground state, whereas the tri- (2) and tetramers (3) both have an open-shell diradical ground state with a small singlet-triplet gap. Such a difference results from competition between two driving forces: the large steric repulsion between the anthryl/phenyl units in the closed-shell quinoidal form that drives the molecule to a flexible open-shell diradical structure, and aromatic stabilisation due to the gain of more aromatic sextet rings in the closed-shell form, which drives the molecule towards a contorted quinoidal structure. The ground states of these oligomers thus depend on the overall balance between these two driving forces and show chain-length dependence. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

nitrogen saturation in stream ecosystems

OpenAIRE

Earl, S. R.; Valett, H. M.; Webster, J. R.

2006-01-01

The concept of nitrogen (N) saturation has organized the assessment of N loading in terrestrial ecosystems. Here we extend the concept to lotic ecosystems by coupling Michaelis-Menten kinetics and nutrient spiraling. We propose a series of saturation response types, which may be used to characterize the proximity of streams to N saturation. We conducted a series of short-term N releases using a tracer ((NO3)-N-15-N) to measure uptake. Experiments were conducted in streams spanning a gradient ...

Aromatic hydrocarbon concentrations in sediments of Placentia Bay, Newfoundland

International Nuclear Information System (INIS)

Kiceniuk, J.W.

1992-01-01

A study was conducted to examine the potential for contamination of recent sediments with polycyclic aromatic hydrocarbons due to tanker and refinery activity in Placentia Bay, Newfoundland, an area without large local anthropogenic sources of aromatics. Sediment samples were taken from the vicinity of the Come By Chance refinery, Woody Island, Wild Cove, and Port Royal Arm, all in the north end of the bay. The samples were extracted by two methods, dichloromethane extraction of dried sediment for determination of total aromatic hydrocarbon content and hexane extraction of wet sediment for estimation of the bioavailability of hydrocarbons and determination of more volatile compounds. Class analysis of aromatic hydrocarbons was conducted on a NH 2 column with detection at 255 nm. Total concentrations of di-tricyclic aromatics were highest at the Woody Island site (0.6 μg/g). The sediments from the Come By Chance site, Wild Cove, and Port Royal Arm sediments contained 0.3, 0.1, and 0.2 μg/g respectively. The hexane extracts from Come By Chance were lowest in di-tricyclic aromatics (0.007 μg/g), with the other sites being equal in concentration (0.01 μg/g). It is evident from the study that aromatic hydrocarbon concentrations in Placentia Bay are elevated in some parts of the bay in the absence of local combustion sources, and that the most likely source is petroleum. 12 refs., 5 figs., 2 tabs

Determination of residual oil saturation from time-lapse pulsed neutron capture logs in a large sandstone reservoir

International Nuclear Information System (INIS)

Syed, E.V.; Salaita, G.N.; McCaffery, F.G.

1991-01-01

Cased hole logging with pulsed neutron tools finds extensive use for identifying zones of water breakthrough and monitoring oil-water contacts in oil reservoirs being depleted by waterflooding or natural water drive. Results of such surveys then find direct use for planning recompletions and water shutoff treatments. Pulsed neutron capture (PNC) logs are useful for estimating water saturation changes behind casing in the presence of a constant, high-salinity environment. PNC log surveys run at different times, i.e., in a time-lapse mode, are particularly amenable to quantitative analysis. The combined use of the original open hole and PNC time-lapse log information can then provide information on remaining or residual oil saturations in a reservoir. This paper reports analyses of historical pulsed neutron capture log data to assess residual oil saturation in naturally water-swept zones for selected wells from a large sandstone reservoir in the Middle East. Quantitative determination of oil saturations was aided by PNC log information obtained from a series of tests conducted in a new well in the same field

Fused aromatic thienopyrazines: structure, properties and function

KAUST Repository

Mondal, Rajib

2010-01-01

Recent development of a fused aromatic thieno[3.4-b]pyrazine system and their application in optoelectronic devices are reviewed. Introduction of a fused aromatic unit followed by side chain engineering, dramatically enhanced the charge carrier mobility in thin film transistor devices and mobilities up to 0.2 cm2/Vs were achieved. The optoelectronic properties of these fused aromatic thienopyrazine polymers (Eg = 1.3 to 1.6 eV, HOMO = -4.9 to -5.2 V) were tuned by introduction of various fused aromatic rings within thienopyrazine. By balancing the fundamental properties of these polymers, both high charge carrier mobilities and moderate PCEs in solar cells were achieved. Further, effects of copolymerizing units are discussed. Low band gap semiconducting polymer (Eg ∼ 1 eV) with high field effect mobility (0.044 cm2/Vs) was obtained using cyclopentadithiophene as copolymerizing unit. Finally, a molecular design approach to enhance the absorption coefficients is discussed, which resulted in improved power conversion efficiency in bulk heterojunction solar cells. © 2010 The Royal Society of Chemistry.

An ethnopharmacological study of aromatic Uyghur medicinal plants in Xinjiang, China.

Science.gov (United States)

Zhao, Lu; Tian, Shuge; Wen, E; Upur, Halmuart

2017-12-01

An ethnobotanical survey was completed in a remote village and surrounding country of Xinjiang, where most Uyghur medicinal plants could be collected. This work clarifies and increases ethnobotanical data. We surveyed and organized aromatic medicinal plants that are commonly used in clinical settings to provide a significant reference for studying new medical activities. In the survey, informants who have traditional knowledge on aromatic Uyghur medicinal plants were interviewed between March 2014 and September 2014. Aromatic medicinal plant species and pertinent information were collected. Some therapeutic methods and modes of preparation of traditional aromatic medicinal plants were found. A total of 86 aromatic medicinal plant species belonging to 36 families were included in our study. We identified 34 plant species introduced from different regions such as Europe, India and Mediterranean areas. Fruits and whole plants were the most commonly used parts of plant, and most aromatic medicinal plants could be applied as medicine and food. We assigned the medicinal plants a use value (UV). Knowing the UV of species is useful in determining the use reliability and pharmacological features of related plants. Xinjiang is an area in which indigenous aromatic medicinal plants are diversely used and has therefore established a sound dimensional medical healthcare treatment system. Some aromatic Uyghur medicinal plants are on the verge of extinction. Hence, further strategies for the conservation of these aromatic medicinal plants should be prioritized.

Semiconductor saturable absorbers for ultrafast terahertz signals

DEFF Research Database (Denmark)

Hoffmann, Matthias C.; Turchinovich, Dmitry

2010-01-01

states, due to conduction band onparabolicity and scattering into satellite valleys in strong THz fields. Saturable absorber parameters, such as linear and nonsaturable transmission, and saturation fluence, are extracted by fits to a classic saturable absorber model. Further, we observe THz pulse......We demonstrate saturable absorber behavior of n-type semiconductors GaAs, GaP, and Ge in the terahertz THz frequency range at room temperature using nonlinear THz spectroscopy. The saturation mechanism is based on a decrease in electron conductivity of semiconductors at high electron momentum...

Spectrofluorimetric study of the aromatic carbohydrates of Noriisk petroleum

Energy Technology Data Exchange (ETDEWEB)

Alekseeva, T.A.; Lekveishvili, E.G.; Melikadze, L.D.; Teplitskaia, T.A.; Tevdorashvili, M.N.

1979-01-01

Investigation was made of the specimens of aromatic hydrocarbons which were produced by photochemical decomposition of the products of photocondensation with maleicanhydride of narrow aromatic fractions separated by a system of methods from a high temperature part of Noriisk petroleum. Use was made of a standard spectrofluorimeter of low resolution. A series of aromatic hydrocarbons, naphthalene, benzofluorene, phenantrene, chrizene, pyrene, tetraphene, and 3,4-benzophenantrene were installed in the machine.

Stable one-dimensional periodic waves in Kerr-type saturable and quadratic nonlinear media

International Nuclear Information System (INIS)

Kartashov, Yaroslav V; Egorov, Alexey A; Vysloukh, Victor A; Torner, Lluis

2004-01-01

We review the latest progress and properties of the families of bright and dark one-dimensional periodic waves propagating in saturable Kerr-type and quadratic nonlinear media. We show how saturation of the nonlinear response results in the appearance of stability (instability) bands in a focusing (defocusing) medium, which is in sharp contrast with the properties of periodic waves in Kerr media. One of the key results discovered is the stabilization of multicolour periodic waves in quadratic media. In particular, dark-type waves are shown to be metastable, while bright-type waves are completely stable in a broad range of energy flows and material parameters. This yields the first known example of completely stable periodic wave patterns propagating in conservative uniform media supporting bright solitons. Such results open the way to the experimental observation of the corresponding self-sustained periodic wave patterns

Carrier-doped aromatic hydrocarbons: a new platform in condensed matter chemistry and physics.

Science.gov (United States)

Heguri, Satoshi; Tanigaki, Katsumi

2018-02-27

High-quality bulk samples of the first four polyacenes, which are naphthalene, anthracene, tetracene, and pentacene, doped with alkali metal in 1 : 1 and 1 : 2 stoichiometries were prepared and their fundamental properties were systematically studied. A new systematic understanding on the electronic states of electron-doped polyacenes sensitive to the energetic balance among on-site Coulomb repulsion, bandwidth and the Peierls instability was provided. The carrier-doped typical aromatic hydrocarbons showed a large variety of properties as well as charge transfer complexes and metal-doped fullerides. We open a new avenue for organometallic and inorganic chemistry.

Nitrogen saturation in stream ecosystems.

Science.gov (United States)

Earl, Stevan R; Valett, H Maurice; Webster, Jackson R

2006-12-01

The concept of nitrogen (N) saturation has organized the assessment of N loading in terrestrial ecosystems. Here we extend the concept to lotic ecosystems by coupling Michaelis-Menten kinetics and nutrient spiraling. We propose a series of saturation response types, which may be used to characterize the proximity of streams to N saturation. We conducted a series of short-term N releases using a tracer (15NO3-N) to measure uptake. Experiments were conducted in streams spanning a gradient of background N concentration. Uptake increased in four of six streams as NO3-N was incrementally elevated, indicating that these streams were not saturated. Uptake generally corresponded to Michaelis-Menten kinetics but deviated from the model in two streams where some other growth-critical factor may have been limiting. Proximity to saturation was correlated to background N concentration but was better predicted by the ratio of dissolved inorganic N (DIN) to soluble reactive phosphorus (SRP), suggesting phosphorus limitation in several high-N streams. Uptake velocity, a reflection of uptake efficiency, declined nonlinearly with increasing N amendment in all streams. At the same time, uptake velocity was highest in the low-N streams. Our conceptual model of N transport, uptake, and uptake efficiency suggests that, while streams may be active sites of N uptake on the landscape, N saturation contributes to nonlinear changes in stream N dynamics that correspond to decreased uptake efficiency.

Brain oxygen saturation assessment in neonates using T2-prepared blood imaging of oxygen saturation and near-infrared spectroscopy

DEFF Research Database (Denmark)

Alderliesten, Thomas; De Vis, Jill B; Lemmers, Petra Ma

2017-01-01

saturation in the sagittal sinus (R(2 )= 0.49, p = 0.023), but no significant correlations could be demonstrated with frontal and whole brain cerebral blood flow. These results suggest that measuring oxygen saturation by T2-prepared blood imaging of oxygen saturation is feasible, even in neonates. Strong...... sinus. A strong linear relation was found between the oxygen saturation measured by magnetic resonance imaging and the oxygen saturation measured by near-infrared spectroscopy (R(2 )= 0.64, p ..., and magnetic resonance imaging measures of frontal cerebral blood flow, whole brain cerebral blood flow and venous oxygen saturation in the sagittal sinus (R(2 )= 0.71, 0.50, 0.65; p 

Transport of synthetic colloids through single saturated fractures: A literature review

International Nuclear Information System (INIS)

Reimus, P.W.

1995-07-01

Colloids having the same surface charge sign as the bulk of the geologic media in a groundwater system may be able to travel through the system faster than soluble species because they will follow fluid streamlines more closely and they should have less tendency to diffuse into pores or dead spaces in the media than soluble species. Synthetic colloids with uniform, controlled properties may be ideal for serving as open-quotes worst-caseclose quotes tracers that provide lower-bound estimates of contaminant travel times in hydrologic systems. This report discusses a review of the literature pertaining to colloid transport in single saturated natural fractures. After a brief background discussion to put the literature review in perspective, the phenomenon of colloid transport in saturated fractures is divided into three major topics, each of which is reviewed in detail: (1) saturated fluid flow through fractures; (2) colloid transport by convection, diffusion, and force fields; and (3) colloid interactions with surfaces. It is suggested that these phenomena be accounted for in colloid transport models by using (1) lubrication theory to describe water flow through fractures, (2) particle tracking methods to describe colloid transport in fractures, and (3) a kinetic boundary layer approximation to describe colloid interactions with fracture walls. These methods offer better computational efficiency and better experimental accessibility to model parameters than rigorously solving the complete governing equations

Extraction of aromatics from naphtha with ionic liquids

NARCIS (Netherlands)

Meindersma, G.W.

2005-01-01

The objective of this study was the development of a separation technology for the selective recovery and purification of aromatic compounds benzene, toluene, ethylbenzene and xylenes (BTEX) from liquid ethylene cracker feeds. Most ethylene cracker feeds contain 10 ¿ 25% of aromatic components,

Critical point measurement of some polycyclic aromatic hydrocarbons

International Nuclear Information System (INIS)

Nikitin, Eugene D.; Popov, Alexander P.

2015-01-01

Highlights: • Critical properties of five polycyclic aromatic hydrocarbons were measured. • These hydrocarbons decompose at near-critical temperatures. • Pulse-heating method with short residence times was used. - Abstract: The critical temperatures and the critical pressures of five polycyclic aromatic compounds, namely, acenaphthene, fluorene, anthracene, phenanthrene, and pyrene have been measured. All the compounds studied decompose at near-critical temperatures. A pulse-heating technique applicable to measuring the critical properties of thermally unstable compounds has been used. The times from the beginning of a heating pulse to the moment of reaching the critical temperature were from (0.06 to 0.85) ms. The short residence times provide little degradation of the substances in the course of the experiments. The experimental critical parameters of the polycyclic aromatic compounds have been compared with those estimated by five predictive methods. The acentric factors of polycyclic aromatic compounds studied have been calculated

Self-assembled electrical materials from contorted aromatics

Science.gov (United States)

Xiao, Shengxiong

This thesis describes the design, synthesis, self-assembly and electrical properties of new types of contorted polycyclic aromatic hydrocarbons. These topologically interesting contorted aromatics show promising transistor characteristics as new building blocks for organic field-effect transistors (OFETs) at different length scales. In chapter 2, a class of pentacenes that are substituted along their long edges with aromatic rings were synthesized. Their solid-state assemblies were studied by X-ray crystallography. Their performance as thin film transistors (TFTs) and single crystal field effect transistors (SCFETs) were systematically evaluated. A structure-property relationship between these highly phenylated pentacenes was found. Chapter 3 explores the new concept of whether a non-planar aromatic core could yield efficacious electronic materials, as the ultimate success in the organic electronics will require a holistic approach to creating new building blocks. Synthesis, functionalization and assembly of a new type of contorted hexabenzocoronene (HBC) whose aromatic core is heavily distorted away from planarity due to the steric congestion around its proximal carbons were discussed. Structural studies by X-ray crystallography showed that these HBC molecules stack into columnar structures in the solid state, which are ideal for conduction. Chapter 4 describes that microscale liquid crystalline thin film OFETs of tetradodecyloxy HBC showed the best transistor properties of all discotic columnar materials. Chapter 5 details the fabrication and characterization of nanoscale single crystalline fiber OFETs of octadodecyloxyl HBC. In Chapter 6 we show that a molecular scale monolayer of HBC acid chlorides could be self-assembled on SiO2 insulating layer and could be organized laterally between the ends of 2 nm carbon nanotube gaps to form high quality FETs that act as environmental and chemical sensors. Chapter 7 details the enforced one-dimensional photoconductivity

Space Charge Saturated Sheath Regime and Electron Temperature Saturation in Hall Thrusters

International Nuclear Information System (INIS)

Raitses, Y.; Staack, D.; Smirnov, A.; Fisch, N.J.

2005-01-01

Secondary electron emission in Hall thrusters is predicted to lead to space charge saturated wall sheaths resulting in enhanced power losses in the thruster channel. Analysis of experimentally obtained electron-wall collision frequency suggests that the electron temperature saturation, which occurs at high discharge voltages, appears to be caused by a decrease of the Joule heating rather than by the enhancement of the electron energy loss at the walls due to a strong secondary electron emission

Saturated Zone Colloid-Facilitated Transport

International Nuclear Information System (INIS)

Wolfsberg, A.; Reimus, P.

2001-01-01

The purpose of the Saturated Zone Colloid-Facilitated Transport Analysis and Modeling Report (AMR), as outlined in its Work Direction and Planning Document (CRWMS MandO 1999a), is to provide retardation factors for colloids with irreversibly-attached radionuclides, such as plutonium, in the saturated zone (SZ) between their point of entrance from the unsaturated zone (UZ) and downgradient compliance points. Although it is not exclusive to any particular radionuclide release scenario, this AMR especially addresses those scenarios pertaining to evidence from waste degradation experiments, which indicate that plutonium and perhaps other radionuclides may be irreversibly attached to colloids. This report establishes the requirements and elements of the design of a methodology for calculating colloid transport in the saturated zone at Yucca Mountain. In previous Total Systems Performance Assessment (TSPA) analyses, radionuclide-bearing colloids were assumed to be unretarded in their migration. Field experiments in fractured tuff at Yucca Mountain and in porous media at other sites indicate that colloids may, in fact, experience retardation relative to the mean pore-water velocity, suggesting that contaminants associated with colloids should also experience some retardation. Therefore, this analysis incorporates field data where available and a theoretical framework when site-specific data are not available for estimating plausible ranges of retardation factors in both saturated fractured tuff and saturated alluvium. The distribution of retardation factors for tuff and alluvium are developed in a form consistent with the Performance Assessment (PA) analysis framework for simulating radionuclide transport in the saturated zone. To improve on the work performed so far for the saturated-zone flow and transport modeling, concerted effort has been made in quantifying colloid retardation factors in both fractured tuff and alluvium. The fractured tuff analysis used recent data

Anaerobic catabolism of aromatic compounds: a genetic and genomic view.

Science.gov (United States)

Carmona, Manuel; Zamarro, María Teresa; Blázquez, Blas; Durante-Rodríguez, Gonzalo; Juárez, Javier F; Valderrama, J Andrés; Barragán, María J L; García, José Luis; Díaz, Eduardo

2009-03-01

Aromatic compounds belong to one of the most widely distributed classes of organic compounds in nature, and a significant number of xenobiotics belong to this family of compounds. Since many habitats containing large amounts of aromatic compounds are often anoxic, the anaerobic catabolism of aromatic compounds by microorganisms becomes crucial in biogeochemical cycles and in the sustainable development of the biosphere. The mineralization of aromatic compounds by facultative or obligate anaerobic bacteria can be coupled to anaerobic respiration with a variety of electron acceptors as well as to fermentation and anoxygenic photosynthesis. Since the redox potential of the electron-accepting system dictates the degradative strategy, there is wide biochemical diversity among anaerobic aromatic degraders. However, the genetic determinants of all these processes and the mechanisms involved in their regulation are much less studied. This review focuses on the recent findings that standard molecular biology approaches together with new high-throughput technologies (e.g., genome sequencing, transcriptomics, proteomics, and metagenomics) have provided regarding the genetics, regulation, ecophysiology, and evolution of anaerobic aromatic degradation pathways. These studies revealed that the anaerobic catabolism of aromatic compounds is more diverse and widespread than previously thought, and the complex metabolic and stress programs associated with the use of aromatic compounds under anaerobic conditions are starting to be unraveled. Anaerobic biotransformation processes based on unprecedented enzymes and pathways with novel metabolic capabilities, as well as the design of novel regulatory circuits and catabolic networks of great biotechnological potential in synthetic biology, are now feasible to approach.

Separation of aromatics by vapor permeation through solvent swollen membrane

Energy Technology Data Exchange (ETDEWEB)

Ito, A.; Adachi, K.; Feng, Y. [Niigata University, Niigata (Japan)

1995-12-20

A vapor permeation process for aromatics separation from a hydrocarbon mixture was studied by means of the simultaneous permeation of dimethylsulfoxide vapor as an agent for membrane swelling and preferential permeation of aromatics. The separation performance of the process was demonstrated by a polyvinylalcohol membrane for mixed vapors of benzene/cyclohexane, xylene/octane and a model gasoline. The aromatic vapors preferentially permeated from these mixed vapor feeds. The separation factor was over 10. The separation mechanism of the process mainly depends on the relative salability of the vapors between aromatics and other hydrocarbons in dimethylsulfoxide. 14 refs., 9 figs., 1 tab.

Does the concept of Clar's aromatic sextet work for dicationic forms of polycyclic aromatic hydrocarbons?--testing the model against charged systems in singlet and triplet states.

Science.gov (United States)

Dominikowska, Justyna; Palusiak, Marcin

2011-07-07

The concept of Clar's π-electron aromatic sextet was tested against a set of polycyclic aromatic hydrocarbons in neutral and doubly charged forms. Systems containing different types of rings (in the context of Clar's concept) were chosen, including benzene, naphthalene, anthracene, phenanthrene and triphenylene. In the case of dicationic structures both singlet and triplet states were considered. It was found that for singlet state dicationic structures the concept of aromatic sextet could be applied and the local aromaticity could be discussed in the context of that model, whereas in the case of triplet state dicationic structures Clar's model rather failed. Different aromaticity indices based on various properties of molecular systems were applied for the purpose of the studies. The discussion about the interdependence between the values of different aromaticity indices applied to neutral and charged systems in singlet and triplet states is also included. This journal is © the Owner Societies 2011

Deuteration of benzen derivatives and condensed aromatics

International Nuclear Information System (INIS)

Ichikawa, Masaru.

1970-01-01

A process for the deuteration of aromatic compounds (benzene derivatives having one or more cyano, halogeno, nitro or other electron attractive groups, and condensed ring aromatics) is provided. The process comprises reducing said aromatic compound with an alkali metal (preferably K, Rb or Cs) in a solvent (dimethoxyethane, tetrahydrofuran, etc.) to provide an electron-acceptor-donor complex, which is followed by introducing gaseous deuterium into the solution. The deuteration takes place selectively at the position of highest electron density in accordance with nature of the substituent, regardless of steric hindrance. The process is applicable to a wide variety of aromatics to give deuterated compounds in high yields. In one example, 5x10 -3 mole of anthracene (An) was reacted with 2g of metallic potassium in 80cc of dimethoxyethane in a N 2 atmosphere. Into the resulting solution of An=2K + was introduced D 2 gas (30 cmHg) at 25 0 C. After decomposition with air and washing with alcohol, the precipitate was recrystallized from benzene. Yield of recovered AN: more than 90%. Yield of deuteration: 100%. Position of deuteration: 9 and 10 (revealed by NMR and mass spectroscopy). (Kaichi, S.)

Synthesis and bioelectrochemical behavior of aromatic amines.

Science.gov (United States)

Shabbir, Muhammad; Akhter, Zareen; Ahmad, Iqbal; Ahmed, Safeer; Bolte, Michael; McKee, Vickie

2017-12-01

Four aromatic amines 1-amino-4-phenoxybenzene (A 1 ), 4-(4-aminophenyloxy) biphenyl (A 2 ), 1-(4-aminophenoxy) naphthalene (A 3 ) and 2-(4-aminophenoxy) naphthalene (A 4 ) were synthesized and characterized by elemental, spectroscopic (FTIR, NMR), mass spectrometric and single crystal X-ray diffraction methods. The compounds crystallized in monoclinic crystal system with space group P2 1 . Intermolecular hydrogen bonds were observed between the amine group and amine/ether acceptors of neighboring molecules. Electrochemical investigations were done using cyclic voltammetry (CV), square wave voltammetry (SWV) and differential pulse voltammetry (DPV). CV studies showed that oxidation of aromatic amines takes place at about 0.9 V (vs. Ag/AgCl) and the electron transfer (ET) process has irreversible nature. After first scan reactive intermediate were generated electrochemically and some other cathodic and anodic peaks also appeared in the succeeding scans. DPV study revealed that ET process is accompanied by one electron. DNA binding study of aromatic amines was performed by CV and UV-visible spectroscopy. These investigations revealed groove binding mode of interaction of aromatic amines with DNA. Copyright © 2017 Elsevier Inc. All rights reserved.

Oxidative decomposition of aromatic hydrocarbons by electron beam irradiation

Science.gov (United States)

Han, Do-Hung; Stuchinskaya, Tatiana; Won, Yang-Soo; Park, Wan-Sik; Lim, Jae-Kyong

2003-05-01

Decomposition of aromatic volatile organic compounds (VOCs) under electron beam irradiation was studied in order to examine the kinetics of the process, to characterize the reaction product distribution and to develop a process of waste gas control technology. Toluene, ethylbenzene, o-, m-, p-xylenes and chlorobenzene were used as target materials. The experiments were carried out at doses ranging from 0.5 to 10 kGy, using a flow reactor utilized under electron beam irradiation. Maximum degrees of decomposition carried out at 10 kGy in air environment were 55-65% for “non-chlorinated” aromatic VOC and 85% for chlorobenzene. It was found that a combination of aromatic pollutants with chlorobenzene would considerably increase the degradation value up to nearly 50% compared to the same compounds in the absence of chlorine groups. Based on our experimental observation, the degradation mechanism of the aromatic compounds combined with chloro-compound suggests that a chlorine radical, formed from EB irradiation, induces a chain reaction, resulting in an accelerating oxidative destruction of aromatic VOCs.

Microbial degradation of aliphatic and aliphatic-aromatic co-polyesters.

Science.gov (United States)

Shah, Aamer Ali; Kato, Satoshi; Shintani, Noboru; Kamini, Numbi Ramudu; Nakajima-Kambe, Toshiaki

2014-04-01

Biodegradable plastics (BPs) have attracted much attention since more than a decade because they can easily be degraded by microorganisms in the environment. The development of aliphatic-aromatic co-polyesters has combined excellent mechanical properties with biodegradability and an ideal replacement for the conventional nondegradable thermoplastics. The microorganisms degrading these polyesters are widely distributed in various environments. Although various aliphatic, aromatic, and aliphatic-aromatic co-polyester-degrading microorganisms and their enzymes have been studied and characterized, there are still many groups of microorganisms and enzymes with varying properties awaiting various applications. In this review, we have reported some new microorganisms and their enzymes which could degrade various aliphatic, aromatic, as well as aliphatic-aromatic co-polyesters like poly(butylene succinate) (PBS), poly(butylene succinate)-co-(butylene adipate) (PBSA), poly(ε-caprolactone) (PCL), poly(ethylene succinate) (PES), poly(L-lactic acid) (PLA), poly(3-hydroxybutyrate) and poly(3-hydoxybutyrate-co-3-hydroxyvalterate) (PHB/PHBV), poly(ethylene terephthalate) (PET), poly(butylene terephthalate) (PBT), poly(butylene adipate-co-terephthalate (PBAT), poly(butylene succinate-co-terephthalate) (PBST), and poly(butylene succinate/terephthalate/isophthalate)-co-(lactate) (PBSTIL). The mechanism of degradation of aliphatic as well as aliphatic-aromatic co-polyesters has also been discussed. The degradation ability of microorganisms against various polyesters might be useful for the treatment and recycling of biodegradable wastes or bioremediation of the polyester-contaminated environments.

Assessing species saturation: conceptual and methodological challenges.

Science.gov (United States)

Olivares, Ingrid; Karger, Dirk N; Kessler, Michael

2018-05-07

Is there a maximum number of species that can coexist? Intuitively, we assume an upper limit to the number of species in a given assemblage, or that a lineage can produce, but defining and testing this limit has proven problematic. Herein, we first outline seven general challenges of studies on species saturation, most of which are independent of the actual method used to assess saturation. Among these are the challenge of defining saturation conceptually and operationally, the importance of setting an appropriate referential system, and the need to discriminate among patterns, processes and mechanisms. Second, we list and discuss the methodological approaches that have been used to study species saturation. These approaches vary in time and spatial scales, and in the variables and assumptions needed to assess saturation. We argue that assessing species saturation is possible, but that many studies conducted to date have conceptual and methodological flaws that prevent us from currently attaining a good idea of the occurrence of species saturation. © 2018 Cambridge Philosophical Society.

Exchangeable cations-mediated photodegradation of polycyclic aromatic hydrocarbons (PAHs) on smectite surface under visible light.

Science.gov (United States)

Jia, Hanzhong; Li, Li; Chen, Hongxia; Zhao, Yue; Li, Xiyou; Wang, Chuanyi

2015-04-28

Clay minerals saturated with different exchangeable cations are expected to play various roles in photodegradation of polycyclic aromatic hydrocarbons (PAHs) via direct and/or indirect pathways on clay surfaces. In the present study, anthracene and phenanthrene were selected as molecule probes to investigate the roles of exchangeable cations on their photodegradation under visible light irradiation. For five types of cation-modified smectite clays, the photodegradation rate of anthracene and phenanthrene follows the order: Fe(3+)>Al(3+)>Cu(2+)>Ca(2+)>K(+)>Na(+), which is consistent with the binding energy of cation-π interactions between PAHs and exchangeable cations. The result suggests that PAHs photolysis rate depends on cation-π interactions on clay surfaces. Meanwhile, the deposition of anthracene at the Na(+)-smectite and K(+)-smectite surface favors solar light absorption, resulting in enhanced direct photodecomposition of PAHs. On the other hand, smectite clays saturated with Fe(3+), Al(3+), and Cu(2+) are highly photoreactive and can act as potential catalysts giving rise to oxidative radicals such as O2(-) , which initiate the transformation of PAHs. The present work provides valuable insights into understanding the transformation and fate of PAHs in the natural soil environment and sheds light on the development of technologies for contaminated land remediation. Copyright © 2015 Elsevier B.V. All rights reserved.

Misconceptions in Reporting Oxygen Saturation

NARCIS (Netherlands)

Toffaletti, John; Zijlstra, Willem G.

2007-01-01

BACKGROUND: We describe some misconceptions that have become common practice in reporting blood gas and cooximetry results. In 1980, oxygen saturation was incorrectly redefined in a report of a new instrument for analysis of hemoglobin (Hb) derivatives. Oxygen saturation (sO(2)) was redefined as the

Distributions of Polycyclic Aromatic Hydrocarbons, Aromatic Ketones, Carboxylic Acids, and Trace Metals in Arctic Aerosols: Long-Range Atmospheric Transport, Photochemical Degradation/Production at Polar Sunrise.

Science.gov (United States)

Singh, Dharmendra Kumar; Kawamura, Kimitaka; Yanase, Ayako; Barrie, Leonard A

2017-08-15

The distributions, correlations, and source apportionment of aromatic acids, aromatic ketones, polycyclic aromatic hydrocarbons (PAHs), and trace metals were studied in Canadian high Arctic aerosols. Nineteen PAHs including minor sulfur-containing heterocyclic PAH (dibenzothiophene) and major 6 carcinogenic PAHs were detected with a high proportion of fluoranthene followed by benzo[k]fluoranthene, pyrene, and chrysene. However, in the sunlit period of spring, their concentrations significantly declined likely due to photochemical decomposition. During the polar sunrise from mid-March to mid-April, benzo[a]pyrene to benzo[e]pyrene ratios significantly dropped, and the ratios diminished further from late April to May onward. These results suggest that PAHs transported over the Arctic are subjected to strong photochemical degradation at polar sunrise. Although aromatic ketones decreased in spring, concentrations of some aromatic acids such as benzoic and phthalic acids increased during the course of polar sunrise, suggesting that aromatic hydrocarbons are oxidized to result in aromatic acids. However, PAHs do not act as the major source for low molecular weight (LMW) diacids such as oxalic acid that are largely formed at polar sunrise in the arctic atmosphere because PAHs are 1 to 2 orders of magnitude less abundant than LMW diacids. Correlations of trace metals with organics, their sources, and the possible role of trace transition metals are explained.

Landsliding in partially saturated materials

Science.gov (United States)

Godt, J.W.; Baum, R.L.; Lu, N.

2009-01-01

[1] Rainfall-induced landslides are pervasive in hillslope environments around the world and among the most costly and deadly natural hazards. However, capturing their occurrence with scientific instrumentation in a natural setting is extremely rare. The prevailing thinking on landslide initiation, particularly for those landslides that occur under intense precipitation, is that the failure surface is saturated and has positive pore-water pressures acting on it. Most analytic methods used for landslide hazard assessment are based on the above perception and assume that the failure surface is located beneath a water table. By monitoring the pore water and soil suction response to rainfall, we observed shallow landslide occurrence under partially saturated conditions for the first time in a natural setting. We show that the partially saturated shallow landslide at this site is predictable using measured soil suction and water content and a novel unified effective stress concept for partially saturated earth materials. Copyright 2009 by the American Geophysical Union.

Recipe for residual oil saturation determination

Energy Technology Data Exchange (ETDEWEB)

Guillory, A.J.; Kidwell, C.M.

1979-01-01

In 1978, Shell Oil Co., in conjunction with the US Department of Energy, conducted a residual oil saturation study in a deep, hot high-pressured Gulf Coast Reservoir. The work was conducted prior to initiation of CO/sub 2/ tertiary recovery pilot. Many problems had to be resolved prior to and during the residual oil saturation determination. The problems confronted are outlined such that the procedure can be used much like a cookbook in designing future studies in similar reservoirs. Primary discussion centers around planning and results of a log-inject-log operation used as a prime method to determine the residual oil saturation. Several independent methods were used to calculate the residual oil saturation in the subject well in an interval between 12,910 ft (3935 m) and 12,020 ft (3938 m). In general, these numbers were in good agreement and indicated a residual oil saturation between 22% and 24%. 10 references.

Aromatic graphene

Energy Technology Data Exchange (ETDEWEB)

Das, D. K., E-mail: gour.netai@gmail.com [Department of Metallurgical and Material Science Engineering, National Institute of Technology Durgapur-713209, West Bengal (India); Sahoo, S., E-mail: sukadevsahoo@yahoo.com [Department of Physics, National Institute of Technology Durgapur-713209, West Bengal (India)

2016-04-13

In recent years graphene attracts the scientific and engineering communities due to its outstanding electronic, thermal, mechanical and optical properties and many potential applications. Recently, Popov et al. [1] have studied the properties of graphene and proved that it is aromatic but without fragrance. In this paper, we present a theory to prepare graphene with fragrance. This can be used as scented pencils, perfumes, room and car fresheners, cosmetics and many other useful household substances.

Aromatic graphene

International Nuclear Information System (INIS)

Das, D. K.; Sahoo, S.

2016-01-01

In recent years graphene attracts the scientific and engineering communities due to its outstanding electronic, thermal, mechanical and optical properties and many potential applications. Recently, Popov et al. [1] have studied the properties of graphene and proved that it is aromatic but without fragrance. In this paper, we present a theory to prepare graphene with fragrance. This can be used as scented pencils, perfumes, room and car fresheners, cosmetics and many other useful household substances.

Tracking Controller for Intrinsic Output Saturated Systems in Presence of Amplitude and Rate Input Saturations

DEFF Research Database (Denmark)

Chater, E.; Giri, F.; Guerrero, Josep M.

2014-01-01

We consider the problem of controlling plants that are subject to multiple saturation constraints. Especially, we are interested in linear systems whose input is subject to amplitude and rate constraints of saturation type. Furthermore, the considered systems output is also subject to an intrinsi...

Global simulation of aromatic volatile organic compounds in the atmosphere

Science.gov (United States)

Cabrera Perez, David; Taraborrelli, Domenico; Pozzer, Andrea

2015-04-01

Among the large number of chemical compounds in the atmosphere, the organic group plays a key role in the tropospheric chemistry. Specifically the subgroup called aromatics is of great interest. Aromatics are the predominant trace gases in urban areas due to high emissions, primarily by vehicle exhausts and fuel evaporation. They are also present in areas where biofuel is used (i.e residential wood burning). Emissions of aromatic compounds are a substantial fraction of the total emissions of the volatile organic compounds (VOC). Impact of aromatics on human health is very important, as they do not only contribute to the ozone formation in the urban environment, but they are also highly toxic themselves, especially in the case of benzene which is able to trigger a range of illness under long exposure, and of nitro-phenols which cause detrimental for humans and vegetation even at very low concentrations. The aim of this work is to assess the atmospheric impacts of aromatic compounds on the global scale. The main goals are: lifetime and budget estimation, mixing ratios distribution, net effect on ozone production and OH loss for the most emitted aromatic compounds (benzene, toluene, xylenes, ethylbenzene, styrene and trimethylbenzenes). For this purpose, we use the numerical chemistry and climate simulation ECHAM/MESSy Atmospheric Chemistry (EMAC) model to build the global atmospheric budget for the most emitted and predominant aromatic compounds in the atmosphere. A set of emissions was prepared in order to include biomass burning, vegetation and anthropogenic sources of aromatics into the model. A chemical mechanism based on the Master Chemical Mechanism (MCM) was developed to describe the chemical oxidation in the gas phase of these aromatic compounds. MCM have been reduced in terms of number of chemical equation and species in order to make it affordable in a 3D model. Additionally other features have been added, for instance the production of HONO via ortho

Silicone elastomers with aromatic voltage stabilizers

DEFF Research Database (Denmark)

A Razak, Aliff Hisyam; Skov, Anne Ladegaard

of electron-trapping by aromatic compounds grafted to silicone backbones in a crosslinked PDMS is illustrated in Fig. 1. The electrical breakdown strength, the storage modulus and the loss modulus of the elastomer were investigated, as well as the excitation energy from the collision between electron carriers...... and benzene rings in PDMS-PPMS copolymer was measured by UV-vis spectroscopy. The developed elastomers were inherently soft with enhanced electrical breakdown strength due to delocalized pi-electrons of aromatic rings attached to the silicone backbone. The dielectric relative permittivity of PDMS...

Equilibrium studies of the adsorption of aromatic disulfonates by Mg-Al oxide

Science.gov (United States)

Kameda, Tomohito; Umetsu, Mami; Kumagai, Shogo; Yoshioka, Toshiaki

2018-03-01

The removal of m-benzenedisulfonate (BDS2-) and 2,6-naphthalenedisulfonate (NDS2-) anions by Mg-Al oxide was investigated. Langmuir model best describes the adsorption of both aromatic disulfonate anions, with the maximum amount of uptake higher for BDS2-. Mg-Al oxide reacts easier with the aromatic disulfonate anion with higher charge density, a trend that is the opposite of that observed in aromatic sulfonate anions. After increasing the charge from -1 to -2, the removal of aromatic disulfonates by Mg-Al oxide is controlled by electrostatic interactions, instead of hydrophobic interactions that are dominant for aromatic sulfonate anions.

Saturation and linear transport equation

International Nuclear Information System (INIS)

Kutak, K.

2009-03-01

We show that the GBW saturation model provides an exact solution to the one dimensional linear transport equation. We also show that it is motivated by the BK equation considered in the saturated regime when the diffusion and the splitting term in the diffusive approximation are balanced by the nonlinear term. (orig.)

EMISSIONS OF ORGANIC AIR TOXICS FROM OPEN ...

Science.gov (United States)

A detailed literature search was performed to collect and collate available data reporting emissions of toxic organic substances into the air from open burning sources. Availability of data varied according to the source and the class of air toxics of interest. Volatile organic compound (VOC) and polycyclic aromatic hydrocarbon (PAH) data were available for many of the sources. Data on semivolatile organic compounds (SVOCs) that are not PAHs were available for several sources. Carbonyl and polychlorinated dibenzo-p-dioxins and polychlorinated dibenzofuran (PCDD/F) data were available for only a few sources. There were several sources for which no emissions data were available at all. Several observations were made including: 1) Biomass open burning sources typically emitted less VOCs than open burning sources with anthropogenic fuels on a mass emitted per mass burned basis, particularly those where polymers were concerned; 2) Biomass open burning sources typically emitted less SVOCs and PAHs than anthropogenic sources on a mass emitted per mass burned basis. Burning pools of crude oil and diesel fuel produced significant amounts of PAHs relative to other types of open burning. PAH emissions were highest when combustion of polymers was taking place; and 3) Based on very limited data, biomass open burning sources typically produced higher levels of carbonyls than anthropogenic sources on a mass emitted per mass burned basis, probably due to oxygenated structures r

Ion beam irradiation effects on aromatic polymers

International Nuclear Information System (INIS)

Shukushima, Satoshi; Ueno, Keiji

1995-01-01

We studied the optical and thermal properties of aromatic polymer films which had been irradiated with 1 MeV H + , H 2 + and He + ions. The examined aromatic polymers were polyetherether ketone(PEEK), polyetherimide(PEI), polyether sulfon(PES), polysulfon(PSF), and polyphenylene sulfide(PPS). The optical densities at 300nm of PES and PSF greatly increased after the irradiation. The optical densities at 400nm of all the examined polymer lineally increased with the irradiation dose. The PEEK film which had been irradiated with 1 MeV H + was not deformed above melting point. This demonstrates that cross-linking occurs in PEEK films by ion beam irradiation. As for the effects, depending on the mass of the irradiated ions, it was found that the ions with a high mass induced larger effects on the aromatic polymers for the same absorption energy. (author)

Determination of aromatic and PAH (polycyclic aromatic hydrocarbons) content of oily wastewaters

Energy Technology Data Exchange (ETDEWEB)

Lysyj, I.; Russell, E.C.

1978-08-01

An analytical scheme was developed for determining the total organic content and hydrocarbon concentration from a one-liter portion of a wastewater sample, and determining the volatile, suspended, and water-soluble fractions from a second, two-liter portion. Analyses of untreated and treated bilge wastewater from the U.S. Army Fort Eustis, Va., facility showed 10-300 ppm suspended organics and 10-300 ppm dissolved organics in the untreated bilge, and no suspended matter, but 700-2000 ppm dissolved organics, in the treated bilge wastewaters. Of the dissolved organics in untreated and treated wastewater, 70 and 10%, respectively, were extracted with chloroform; the organics in the treated water were probably biologically derived from petroleum degradation. Gas chromatographic/mass spectroscopic and high-pressure liquid chromatographic analyses of the chloroform extracts showed about equal parts of phenolic compounds and aromatic hydrocarbons, small amounts of heterocyclics, and traces of polycyclic aromatics in the untreated wastewater, and mainly phenolics in the treated water.

Infrared Spectroscopy of Matrix-Isolated Polycyclic Aromatic Nitrogen Heterocycles (PANHs)

Science.gov (United States)

Mattioda, A. L.; Hudgins, D. M.; Bauschlicher, C. W.; Allamandola, L. J.; Biemesderfer, C. D.; Rosi, M.

2002-01-01

The mid-infrared spectra of the nitrogen-containing heterocyclic polycyclic aromatic compounds 1-azabenz[a]-anthracene; 2-azabenz[a]anthracene; 1-azachrysene; 2-azachrysene; 4-azachrysene; 2-azapyrene, and 7,8 benzoquinoline in their neutral and cation forms were investigated. The spectra of these species isolated in an argon matrix have been measured. Band frequencies and intensities were tabulated and these data compared with spectra computed using density functional theory at the B3LYP level. The overall agreement between experiment and theory is quite good, in keeping with earlier results on homonuclear polycyclic aromatic hydrocarbons. The differences between the spectral properties of nitrogen bearing aromatics and non-substituted, neutral polycyclic aromatic hydrocarbons will be discussed.

SEDIMENT-ASSOCIATED REACTIONS OF AROMATIC AMINES. 2. QSAR DEVELOPMENT

Science.gov (United States)

The fate of aromatic amines in soils and sediments is dominated by irreversible binding through nucleophilic addition and oxidative radical coupling. Despite the common occurrence of the aromatic amine functional group in organic chemicals, the molecular properties useful for pr...

Aromatic products from reaction of lignin model compounds with UV-alkaline peroxide

International Nuclear Information System (INIS)

Sun, Y.P.; Wallis, A.F.A.; Nguyen, K.L.

1997-01-01

A series of guaiacyl and syringyl lignin model compounds and their methylated analogues were reacted with alkaline hydrogen peroxide while irradiating with UV light at 254 nm. The aromatic products obtained were investigated by gas chromatography-mass spectrometry (GC-MS). Guaiacol, syringol and veratrol gave no detectable aromatic products. However, syringol methyl ether gave small amounts of aromatic products, resulting from ring substitution and methoxyl displacement by hydroxyl radicals. Reaction of vanillin and syringaldehyde gave the Dakin reaction products, methoxy-1,4-hydroquinones, while reaction of their methyl ethers yielded benzoic acids. Acetoguaiacone, acetosyringone and their methyl ethers afforded several hydroxylated aromatic products, but no aromatic products were identified in the reaction mixtures from guaiacylpropane and syringylpropane. In contrast, veratrylpropane gave a mixture from which 17 aromatic hydroxylated compounds were identified. It is concluded that for phenolic lignin model compounds, particularly those possessing electrondonating aromatic ring substituents, ring-cleavage reactions involving superoxide radical anions are dominant, whereas for non-phenolic lignin models, hydroxylation reactions through attack of hydroxyl radicals prevail

Sleeving-back of horizontal wells to control downstream oil saturation and improve oil recovery

Energy Technology Data Exchange (ETDEWEB)

Greaves, M.; Saghr, A. M. [Bath Univ (United Kingdom)

1998-12-31

Air injection has become popular as an enhanced recovery technology, applicable over a wide variety of reservoir conditions including heavy, medium and light oils. One problem observed in light oil reservoirs is the tendency to desaturate the oil layer downstream of the moving front. This is particularly common in the case of thermal recovery processes. In this experiment designed to study ways to restrict the de-saturation of the oil layer, a modified horizontal producer well, incorporating a `sleeve-back` principal was used. The objective was to replicate the `toe-to-heel` displacement process occurring during heavy oil recovery, wherein downstream oil is essentially immobile due to its high viscosity. The `sleeve-back` of the well was achieved using a co-aligned, two-well assembly, so that the upstream section of the horizontal producer well was active, and continuously adjusted during propagation of the combustion front. The use of this continuous `sleeve-back` operation to control the level of de-saturation in the downstream section of a sand pack was successful as confirmed by the very high oil recovery achieved, equivalent to 93.5 per cent of oil in place. The level of CO{sub 2} production was also very high. The `sleeve-back` of the horizontal producer well made the light oil in-situ combustion more efficient compared to what would be expected in a fully-open well. The `sleeve-back` of the well also produced thermal contours in the sand pack that closely resembled those observed with heavy, highly viscous oil. By sealing-off the otherwise open well in the downstream part of the reservoir, the de-saturation of the oil layer was prevented. 9 refs., 4 tabs., 9 figs.

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.

Metal Triflates for the Production of Aromatics from Lignin

NARCIS (Netherlands)

Deuss, Peter J.; Lahive, Ciaran W.; Lancefield, Christopher S.; Westwood, Nicholas J.; Kamer, Paul C. J.; Barta, Katalin; de Vries, Johannes G.

2016-01-01

The depolymerization of lignin into valuable aromatic chemicals is one of the key goals towards establishing economically viable biorefineries. In this contribution we present a simple approach for converting lignin to aromatic monomers in high yields under mild reaction conditions. The methodology

Reduction of Aromatic and Heterocyclic Aromatic N-Hydroxylamines by Human Cytochrome P450 2S1

Science.gov (United States)

Wang, Kai; Guengerich, F. Peter

2013-01-01

Many aromatic amines and heterocyclic aromatic amines (HAAs) are known carcinogens for animals and there is also strong evidence for some in human cancer. The activation of these compounds, including some arylamine drugs, involves N-hydroxylation, usually by cytochrome P450 enzymes (P450) in Family 1 (1A2, 1A1, and 1B1). We previously demonstrated that the bioactivation product of the anti-cancer agent 2-(4-amino-3-methylphenyl)-5-fluorobenzothiazole (5F 203), an N-hydroxylamine, can be reduced by P450 2S1 to its amine precursor under anaerobic conditions and, to a lesser extent, under aerobic conditions (Wang, K., and Guengerich, F. P. (2012) Chem. Res. Toxicol. 25, 1740–1751). In the present study, we tested the hypothesis that P450 2S1 is involved in the reductive biotransformation of known carcinogenic aromatic amines and HAAs. The N-hydroxylamines of 4-aminobiphenyl (4-ABP), 2-naphthylamine (2-NA), and 2-aminofluorene (2-AF) were synthesized and found to be reduced by P450 2S1 under both anaerobic and aerobic conditions. The formation of amines due to P450 2S1 reduction also occurred under aerobic conditions but was less apparent because the competitive disproportionation reactions (of the N-hydroxylamines) also yielded amines. Further, some nitroso and nitro derivatives of the arylamines could also be reduced by P450 2S1. None of the amines tested were oxidized by P450 2S1. These results suggest that P450 2S1 may be involved in the reductive detoxication of several of the activated products of carcinogenic aromatic amines and HAAs. PMID:23682735

Global atmospheric budget of simple monocyclic aromatic compounds

Directory of Open Access Journals (Sweden)

D. Cabrera-Perez

2016-06-01

Full Text Available The global atmospheric budget and distribution of monocyclic aromatic compounds is estimated, using an atmospheric chemistry general circulation model. Simulation results are evaluated with an ensemble of surface and aircraft observations with the goal of understanding emission, production and removal of these compounds.Anthropogenic emissions provided by the RCP database represent the largest source of aromatics in the model (≃ 23 TgC year−1 and biomass burning from the GFAS inventory the second largest (≃ 5 TgC year−1. The simulated chemical production of aromatics accounts for  ≃ 5 TgC year−1. The atmospheric burden of aromatics sums up to 0.3 TgC. The main removal process of aromatics is photochemical decomposition (≃ 27 TgC  year−1, while wet and dry deposition are responsible for a removal of  ≃ 4 TgC year−1.Simulated mixing ratios at the surface and elsewhere in the troposphere show good spatial and temporal agreement with the observations for benzene, although the model generally underestimates mixing ratios. Toluene is generally well reproduced by the model at the surface, but mixing ratios in the free troposphere are underestimated. Finally, larger discrepancies are found for xylenes: surface mixing ratios are not only overestimated but also a low temporal correlation is found with respect to in situ observations.

Biodegradation of Various Aromatic Compounds by Enriched Bacterial Cultures: Part A-Monocyclic and Polycyclic Aromatic Hydrocarbons.

Science.gov (United States)

Oberoi, Akashdeep Singh; Philip, Ligy; Bhallamudi, S Murty

2015-08-01

Present study focused on the screening of bacterial consortium for biodegradation of monocyclic aromatic hydrocarbon (MAH) and polycyclic aromatic hydrocarbons (PAHs). Target compounds in the present study were naphthalene, acenaphthene, phenanthrene (PAHs), and benzene (MAH). Microbial consortia enriched with the above target compounds were used in screening experiments. Naphthalene-enriched consortium was found to be the most efficient consortium, based on its substrate degradation rate and its ability to degrade other aromatic pollutants with significantly high efficiency. Substrate degradation rate with naphthalene-enriched culture followed the order benzene > naphthalene > acenaphthene > phenanthrene. Chryseobacterium and Rhodobacter were discerned as the predominant species in naphthalene-enriched culture. They are closely associated to the type strain Chryseobacterium arthrosphaerae and Rhodobacter maris, respectively. Single substrate biodegradation studies with naphthalene (PAH) and benzene (MAH) were carried out using naphthalene-enriched microbial consortium (NAPH). Phenol and 2-hydroxybenzaldehyde were identified as the predominant intermediates during benzene and naphthalene degradation, respectively. Biodegradation of toluene, ethyl benzene, xylene, phenol, and indole by NAPH was also investigated. Monod inhibition model was able to simulate biodegradation kinetics for benzene, whereas multiple substrate biodegradation model was able to simulate biodegradation kinetics for naphthalene.

Gluon Saturation and EIC

Energy Technology Data Exchange (ETDEWEB)

Sichtermann, Ernst

2016-12-15

The fundamental structure of nucleons and nuclear matter is described by the properties and dynamics of quarks and gluons in quantum chromodynamics. Electron-nucleon collisions are a powerful method to study this structure. As one increases the energy of the collisions, the interaction process probes regions of progressively higher gluon density. This density must eventually saturate. An high-energy polarized Electron-Ion Collider (EIC) has been proposed to observe and study the saturated gluon density regime. Selected measurements will be discussed, following a brief introduction.

Removal Capacities of Polycyclic Aromatic Hydrocarbons (PAHs by a Newly Isolated Strain from Oilfield Produced Water

Directory of Open Access Journals (Sweden)

Yi-Bin Qi

2017-02-01

Full Text Available The polycyclic aromatic hydrocarbon (PAH-degrading strain Q8 was isolated from oilfield produced water. According to the analysis of a biochemical test, 16S rRNA gene, house-keeping genes and DNA–DNA hybridization, strain Q8 was assigned to a novel species of the genus Gordonia. The strain could not only grow in mineral salt medium (MM and utilize naphthalene and pyrene as its sole carbon source, but also degraded mixed naphthalene, phenanthrene, anthracene and pyrene. The degradation ratio of these four PAHs reached 100%, 95.4%, 73.8% and 53.4% respectively after being degraded by Q8 for seven days. A comparative experiment found that the PAHs degradation efficiency of Q8 is higher than that of Gordonia alkaliphila and Gordonia paraffinivorans, which have the capacities to remove PAHs. Fourier transform infrared spectra, saturate, aromatic, resin and asphaltene (SARA and gas chromatography–mass spectrometry (GC–MS analysis of crude oil degraded by Q8 were also studied. The results showed that Q8 could utilize n-alkanes and PAHs in crude oil. The relative proportions of the naphthalene series, phenanthrene series, thiophene series, fluorene series, chrysene series, C21-triaromatic steroid, pyrene, and benz(apyrene were reduced after being degraded by Q8. Gordonia sp. nov. Q8 had the capacity to remediate water and soil environments contaminated by PAHs or crude oil, and provided a feasible way for the bioremediation of PAHs and oil pollution.

Mineral oil barrier sequential polymer treatment for recycled paper products in food packaging

Science.gov (United States)

Paul, Uttam C.; Fragouli, Despina; Bayer, Ilker S.; Mele, Elisa; Conchione, Chiara; Cingolani, Roberto; Moret, Sabrina; Athanassiou, Athanassia

2017-01-01

Recycled cellulosic paperboards may include mineral oils after the recycle process, which together with their poor water resistance limit their use as food packaging materials. In this work, we demonstrate that a proper functionalization of the recycled paper with two successive polymer treatments, imposes a mineral oil migration barrier and simultaneously renders it waterproof and grease resistant, making it an ideal material for food contact. The first poly (methyl methacrylate) treatment penetrates the paper network and creates a protective layer around every fiber, permitting thus the transformation of the paperboard to a hydrophobic material throughout its thickness, reducing at the same time the mineral oil migration. Subsequently, the second layer with a cyclic olefin copolymer fills the open pores of the surface, and reduces the mineral oil hydrocarbons migration at levels below those proposed by the BMEL. Online liquid chromatography-gas chromatography coupled with flame ionization detection quantitatively demonstrate that this dual functional treatment prevents the migration of both saturated (mineral oil saturated hydrocarbons) and aromatic hydrocarbon (mineral oil aromatic hydrocarbons) mineral oils from the recycled paperboard to a dry food simulant.

Application of aromatization catalyst in synthesis of carbon nanotubes

Indian Academy of Sciences (India)

In a typical chemical vapour deposition (CVD) process for synthesizing carbon nanotubes (CNTs), it was found that the aromatization catalysts could promote effectively the formation of CNT. The essence of this phenomenon was attributed to the fact that the aromatization catalyst can accelerate the ...

Alkylation of organic aromatic compounds

Science.gov (United States)

Smith, Jr., Lawrence A.

1989-01-01

Aromatic compounds are alkylated in a catalytic distillation, wherein the catalyst structure also serves as a distillation component by contacting the aromatic compound with a C.sub.2 to C.sub.10 olefin in the catalyst bed under 0.25 to 50 atmospheres of pressure and at temperatures in the range of 80.degree. C. to 500.degree. C., using as the catalyst a mole sieve characterized as acidic or an acidic cation exchange resin. For example, ethyl benzene is produced by feeding ethylene below the catalyst bed while benzene is conveniently added through the reflux in molar excess to that required to react with ethylene, thereby reacting substantially all of the ethylene and recovering benzene as the principal overhead and ethyl benzene in the bottoms.

Alkylation of organic aromatic compounds

Science.gov (United States)

Smith, L.A. Jr.

1989-07-18

Aromatic compounds are alkylated in a catalytic distillation, wherein the catalyst structure also serves as a distillation component by contacting the aromatic compound with a C[sub 2] to C[sub 10] olefin in the catalyst bed under 0.25 to 50 atmospheres of pressure and at temperatures in the range of 80 C to 500 C, using as the catalyst a mole sieve characterized as acidic or an acidic cation exchange resin. For example, ethyl benzene is produced by feeding ethylene below the catalyst bed while benzene is conveniently added through the reflux in molar excess to that required to react with ethylene, thereby reacting substantially all of the ethylene and recovering benzene as the principal overhead and ethyl benzene in the bottoms. 1 fig.

Substituted Phthalic Anhydrides from Biobased Furanics : A New Approach to Renewable Aromatics

NARCIS (Netherlands)

Thiyagarajan, Shanmugam; Genuino, Homer C.|info:eu-repo/dai/nl/371571685; Sliwa, Michal; van der Waal, Jan C.; de Jong, Ed; van Haveren, Jacco; Weckhuysen, Bert M.|info:eu-repo/dai/nl/285484397; Bruijnincx, Pieter C. A.|info:eu-repo/dai/nl/33799529X; van Es, Daan S.

2015-01-01

A novel route for the production of renewable aromatic chemicals, particularly substituted phthalic acid anhydrides, is presented. The classical two-step approach to furanics-derived aromatics via Diels-Alder (DA) aromatization has been modified into a three-step procedure to address the general

Cation Radical Accelerated Nucleophilic Aromatic Substitution via Organic Photoredox Catalysis.

Science.gov (United States)

Tay, Nicholas E S; Nicewicz, David A

2017-11-15

Nucleophilic aromatic substitution (S N Ar) is a direct method for arene functionalization; however, it can be hampered by low reactivity of arene substrates and their availability. Herein we describe a cation radical-accelerated nucleophilic aromatic substitution using methoxy- and benzyloxy-groups as nucleofuges. In particular, lignin-derived aromatics containing guaiacol and veratrole motifs were competent substrates for functionalization. We also demonstrate an example of site-selective substitutive oxygenation with trifluoroethanol to afford the desired trifluoromethylaryl ether.

Catalytic oxidation of o-aminophenols and aromatic amines by mushroom tyrosinase.

Science.gov (United States)

Muñoz-Muñoz, Jose Luis; Garcia-Molina, Francisco; Garcia-Ruiz, Pedro Antonio; Varon, Ramon; Tudela, Jose; Rodriguez-Lopez, Jose N; Garcia-Canovas, Francisco

2011-12-01

The kinetics of tyrosinase acting on o-aminophenols and aromatic amines as substrates was studied. The catalytic constants of aromatic monoamines and o-diamines were both low, these results are consistent with our previous mechanism in which the slow step is the transfer of a proton by a hydroxyl to the peroxide in oxy-tyrosinase (Fenoll et al., Biochem. J. 380 (2004) 643-650). In the case of o-aminophenols, the hydroxyl group indirectly cooperates in the transfer of the proton and consequently the catalytic constants in the action of tyrosinase on these compounds are higher. In the case of aromatic monoamines, the Michaelis constants are of the same order of magnitude than for monophenols, which suggests that the monophenols bind better (higher binding constant) to the enzyme to facilitate the π-π interactions between the aromatic ring and a possible histidine of the active site. In the case of aromatic o-diamines, both the catalytic and Michaelis constants are low, the values of the catalytic constants being lower than those of the corresponding o-diphenols. The values of the Michaelis constants of the aromatic o-diamines are slightly lower than those of their corresponding o-diphenols, confirming that the aromatic o-diamines bind less well (lower binding constant) to the enzyme. Copyright © 2011 Elsevier B.V. All rights reserved.

Closed and open breathing circuit function in healthy volunteers during exercise at Mount Everest base camp (5300 m).

LENUS (Irish Health Repository)

McMorrow, R C N

2012-08-01

We present a randomised, controlled, crossover trial of the Caudwell Xtreme Everest (CXE) closed circuit breathing system vs an open circuit and ambient air control in six healthy, hypoxic volunteers at rest and exercise at Everest Base Camp, at 5300 m. Compared with control, arterial oxygen saturations were improved at rest with both circuits. There was no difference in the magnitude of this improvement as both circuits restored median (IQR [range]) saturation from 75%, (69.5-78.9 [68-80]%) to > 99.8% (p = 0.028). During exercise, the CXE closed circuit improved median (IQR [range]) saturation from a baseline of 70.8% (63.8-74.5 [57-76]%) to 98.8% (96.5-100 [95-100]%) vs the open circuit improvement to 87.5%, (84.1-88.6 [82-89]%; p = 0.028). These data demonstrate the inverse relationship between supply and demand with open circuits and suggest that ambulatory closed circuits may offer twin advantages of supplying higher inspired oxygen concentrations and\\/or economy of gas use for exercising hypoxic adults.

Palladium-catalysed electrophilic aromatic C-H fluorination

Science.gov (United States)

Yamamoto, Kumiko; Li, Jiakun; Garber, Jeffrey A. O.; Rolfes, Julian D.; Boursalian, Gregory B.; Borghs, Jannik C.; Genicot, Christophe; Jacq, Jérôme; van Gastel, Maurice; Neese, Frank; Ritter, Tobias

2018-02-01

Aryl fluorides are widely used in the pharmaceutical and agrochemical industries, and recent advances have enabled their synthesis through the conversion of various functional groups. However, there is a lack of general methods for direct aromatic carbon-hydrogen (C-H) fluorination. Conventional methods require the use of either strong fluorinating reagents, which are often unselective and difficult to handle, such as elemental fluorine, or less reactive reagents that attack only the most activated arenes, which reduces the substrate scope. A method for the direct fluorination of aromatic C-H bonds could facilitate access to fluorinated derivatives of functional molecules that would otherwise be difficult to produce. For example, drug candidates with improved properties, such as increased metabolic stability or better blood-brain-barrier penetration, may become available. Here we describe an approach to catalysis and the resulting development of an undirected, palladium-catalysed method for aromatic C-H fluorination using mild electrophilic fluorinating reagents. The reaction involves a mode of catalysis that is unusual in aromatic C-H functionalization because no organometallic intermediate is formed; instead, a reactive transition-metal-fluoride electrophile is generated catalytically for the fluorination of arenes that do not otherwise react with mild fluorinating reagents. The scope and functional-group tolerance of this reaction could provide access to functional fluorinated molecules in pharmaceutical and agrochemical development that would otherwise not be readily accessible.

Extraction of Aromatics from Heavy Naphtha Using Different Solvents

International Nuclear Information System (INIS)

EI-Bassuoni, A.A.; Esmael, K.K.

2004-01-01

Aromatic hydrocarbons are very important to the petrochemical industry. Among these are benzene, toluene and xylene (BTX), which are basic raw materials for the production of a number of important petrochemicals. There are many processes used to separate aromatic from non aromatic such as fractionation, azeotropic distillation and liquid I liquid extraction, etc. Liquid - liquid extraction is unique, efficiently used for heat sensitive, close boiling components and for separation of components not possible by other unit operations and it could be done at ambient temperature makes it more energy efficient. The choice of solvent depends on the properties and boiling range of the feedstock. Through the years, a lot of selective solvents has been proposed and selected for the physical separation of aromatics in liquid liquid extraction. Among the selection criteria are the stability,. chemical compatibility, availability, environmental hazards and price of the solvent. But the basic solvent properties that make it efficient are selectivity and capacity

Transformations of Aromatic Compounds by Nitrosomonas europaea

OpenAIRE

Keener, William K.; Arp, Daniel J.

1994-01-01

Benzene and a variety of substituted benzenes inhibited ammonia oxidation by intact cells of Nitrosomonas europaea. In most cases, the inhibition was accompanied by transformation of the aromatic compound to a more oxidized product or products. All products detected were aromatic, and substituents were often oxidized but were not separated from the benzene ring. Most transformations were enhanced by (NH4)2SO4 (12.5 mM) and were prevented by C2H2, a mechanism-based inactivator of ammonia monoo...

The direct aromatization of methane

Energy Technology Data Exchange (ETDEWEB)

Marcelin, G.; Oukaci, R.; Migone, R.A.; Kazi, A.M. [Altamira Instruments, Pittsburgh, PA (United States)

1995-12-31

The thermal decomposition of methane shows significant potential as a process for the production of higher unsaturated and aromatic hydrocarbons when the extent of the reaction is limited. Thermodynamic calculations have shown that when the reaction is limited to the formation of C{sub 2} to C{sub 10} products, yields of aromatics can exceed 40% at temperatures of 1200{degrees}C. Preliminary experiments have shown that when the reaction is limited to the formation of C{sub 2} to C{sub 10} products, yields of aromatics can exceed 40% at temperatures of 1200{degrees}C. Preliminary experiments have shown that cooling the product and reacting gases as the reaction proceeds can significantly reduce or eliminate the formation of solid carbon and heavier (C{sub 10+}) materials. Much work remains to be done in optimizing the quenching process and this is one of the goals of this program. Means to lower the temperature of the reaction are being studied as this result in a more feasible commercial process due to savings realized in energy and material of construction costs. The use of free-radical generators and catalysts will be investigated as a means of lowering the reaction temperature thus allowing faster quenching. It is highly likely that such studies will lead to a successful direct methane to higher hydrocarbon process.

Direct growth of graphene on quartz substrate as saturable absorber for femtosecond solid-state laser

International Nuclear Information System (INIS)

Xu, S C; Man, B Y; Jiang, S Z; Chen, C S; Liu, M; Yang, C; Gao, S B; Zhang, C; Feng, D J; Huang, Q J; Hu, G D; Chen, X F

2014-01-01

We present a novel method for the direct metal-free growth of graphene on quartz substrate. The direct-grown graphene yields excellent nonlinear saturable absorption properties and is demonstrated to be suitable as a saturable absorber (SA) for an ultrafast solid-state laser. Nearly Fourier-limited 367 fs was obtained at a central wavelength of 1048 nm with a repetition rate of 105.7 MHz. At a pump power of 7.95 W, the average output power was 1.93 W and the highest pulse energy reached 18.3 nJ, with a peak power of 49.8 kW. Our work opens an easy route for making a reliable graphene SA with a mode-locking technique and also displays an exciting prospect in making low-cost and ultrafast lasers. (letter)

Alkyne Benzannulation Reactions for the Synthesis of Novel Aromatic Architectures.

Science.gov (United States)

Hein, Samuel J; Lehnherr, Dan; Arslan, Hasan; J Uribe-Romo, Fernando; Dichtel, William R

2017-11-21

Aromatic compounds and polymers are integrated into organic field effect transistors, light-emitting diodes, photovoltaic devices, and redox-flow batteries. These compounds and materials feature increasingly complex designs, and substituents influence energy levels, bandgaps, solution conformation, and crystal packing, all of which impact performance. However, many polycyclic aromatic hydrocarbons of interest are difficult to prepare because their substitution patterns lie outside the scope of current synthetic methods, as strategies for functionalizing benzene are often unselective when applied to naphthalene or larger systems. For example, cross-coupling and nucleophilic aromatic substitution reactions rely on prefunctionalized arenes, and even directed metalation methods most often modify positions near Lewis basic sites. Similarly, electrophilic aromatic substitutions access single regioisomers under substrate control. Cycloadditions provide a convergent route to densely functionalized aromatic compounds that compliment the above methods. After surveying cycloaddition reactions that might be used to modify the conjugated backbone of poly(phenylene ethynylene)s, we discovered that the Asao-Yamamoto benzannulation reaction is notably efficient. Although this reaction had been reported a decade earlier, its scope and usefulness for synthesizing complex aromatic systems had been under-recognized. This benzannulation reaction combines substituted 2-(phenylethynyl)benzaldehydes and substituted alkynes to form 2,3-substituted naphthalenes. The reaction tolerates a variety of sterically congested alkynes, making it well-suited for accessing poly- and oligo(ortho-arylene)s and contorted hexabenzocoronenes. In many cases in which asymmetric benzaldehyde and alkyne cycloaddition partners are used, the reaction is regiospecific based on the electronic character of the alkyne substrate. Recognizing these desirable features, we broadened the substrate scope to include silyl

STUDY OF FACTORS AFFECTING DEVELOPMENT OF FOOD AROMATIZATION

Directory of Open Access Journals (Sweden)

Н.Ye. Dubova

2017-10-01

Full Text Available The specific understanding of food philosophy according to the facts of development of cooking technologies and growth rate of food range is given. As it has been proven by historical stages of production of flavorings, aroma is one of the important organoleptic ingredients for food developers. A review of food production based on development of nanotechnologies, as well as promising and cautioning publications on nanotechnologies in the food sector is presented. On the basis of the literary analysis, the future impact of nanotechnologies on the evolution of the aromatization process of food products is predicted. It has been determined that the peculiarity of the development mentioned above lies in the use of plant enzymes and / or flavor precursors in the nanoscale range. The example of enzymatic breakdown of polyunsaturated fatty acids of plant cell membranes as one of the ways of creating fresh flavor of many fruits, namely C6-C9 aldehydes and alcohols, is considered. It is noted that green fresh aromatic ingredients are needed to improve the organoleptic profile of foods from heat-treated vegetables, melons and gourds. The following factors affecting the development of food aromatization are defined: the decreased differentiation of principles of healthy nutrition and fast food, repetition of natural processes of aroma formation, application of wild green leafy vegetables, and evolution of medical nutrition. The information on food aromatization by packing with autonomous mixing and their approximate assortment is given. The innovations in food aromatization are aimed at quality nutrition, time saving, recreation and entertainment, meeting specific needs (vegetarian dishes, restrictive diets.

Primary processes of the radiation-induced cationic polymerization of aromatic olefins studied by pulse radiolysis

International Nuclear Information System (INIS)

Brede, O.; Boes, J.; Helmstreit, W.; Mehnert, R.

1982-01-01

By pulse radiolysis of solutions of aromatic olefins (styrene, 1-methylstyrene, 1,1-diphenylethylene) in non-polar solvents (cyclohexane, carbon tetrachloride, n-butylchloride) the mechanism and kinetics of primary processes of radiation-induced cationic polymerization were investigated. In cyclohexane, radical cations of the olefins are generated by charge transfer from solvent cations. These cations dimerize in a diffusion-controlled reaction. The next step of chain-growth is slower by 3 to 4 orders of magnitude. In carbon tetrachloride and in n-butyl chloride growing olefin cations are produced by a reaction of radical cations with solvent as well as by addition of solvent carbonium ions to the monomer. In strongly acidic aqueous solution of olefins radical cations produced indirectly from hydroxycyclohexadienyl radicals dimerize and react in a subsequent step by deprotonation forming non-saturated dimer radicals. The reaction mechanism established shows that in the case of radiation-induced cationic polymerization it is not possible to define a uniform first step of the chain reaction. (author)

Ambient aromatic hydrocarbon measurements at Welgegund, South Africa

Science.gov (United States)

Jaars, K.; Beukes, J. P.; van Zyl, P. G.; Venter, A. D.; Josipovic, M.; Pienaar, J. J.; Vakkari, V.; Aaltonen, H.; Laakso, H.; Kulmala, M.; Tiitta, P.; Guenther, A.; Hellén, H.; Laakso, L.; Hakola, H.

2014-07-01

Aromatic hydrocarbons are associated with direct adverse human health effects and can have negative impacts on ecosystems due to their toxicity, as well as indirect negative effects through the formation of tropospheric ozone and secondary organic aerosol, which affect human health, crop production and regional climate. Measurements of aromatic hydrocarbons were conducted at the Welgegund measurement station (South Africa), which is considered to be a regionally representative background site. However, the site is occasionally impacted by plumes from major anthropogenic source regions in the interior of South Africa, which include the western Bushveld Igneous Complex (e.g. platinum, base metal and ferrochrome smelters), the eastern Bushveld Igneous Complex (platinum and ferrochrome smelters), the Johannesburg-Pretoria metropolitan conurbation (> 10 million people), the Vaal Triangle (e.g. petrochemical and pyrometallurgical industries), the Mpumalanga Highveld (e.g. coal-fired power plants and petrochemical industry) and also a region of anticyclonic recirculation of air mass over the interior of South Africa. The aromatic hydrocarbon measurements were conducted with an automated sampler on Tenax-TA and Carbopack-B adsorbent tubes with heated inlet for 1 year. Samples were collected twice a week for 2 h during daytime and 2 h during night-time. A thermal desorption unit, connected to a gas chromatograph and a mass selective detector was used for sample preparation and analysis. Results indicated that the monthly median (mean) total aromatic hydrocarbon concentrations ranged between 0.01 (0.011) and 3.1 (3.2) ppb. Benzene levels did not exceed the local air quality standard limit, i.e. annual mean of 1.6 ppb. Toluene was the most abundant compound, with an annual median (mean) concentration of 0.63 (0.89) ppb. No statistically significant differences in the concentrations measured during daytime and night-time were found, and no distinct seasonal patterns were

Applications of electrochemically-modulated liquid chromatography (EMLC): Separations of aromatic amino acids and polycyclic aromatic hydrocarbons

Energy Technology Data Exchange (ETDEWEB)

Deng, Li [Iowa State Univ., Ames, IA (United States)

1998-03-27

The research in this thesis explores the separation capabilities of a new technique termed electrochemically-modulated liquid chromatography (EMLC). The thesis begins with a general introduction section which provides a literature review of this technique as well as a brief background discussion of the two research projects in each of the next two chapters. The two papers which follow investigate the application of EMLC to the separation of a mixture of aromatic amino acids and of a mixture of polycyclic aromatic hydrocarbons (PAHs). The last section presents general conclusions and summarizes the thesis. References are compiled in the reference section of each chapter. The two papers have been removed for separate processing.

Serum albumin--a non-saturable carrier

DEFF Research Database (Denmark)

Brodersen, R; Honoré, B; Larsen, F G

1984-01-01

The shape of binding isotherms for sixteen ligands to human serum albumin showed no signs of approaching saturation at high ligand concentrations. It is suggested that ligand binding to serum albumin is essentially different from saturable binding of substrates to enzymes, of oxygen to haemoglobi...

Saturation and forward jets at HERA

International Nuclear Information System (INIS)

Marquet, C.; Peschanski, R.; Royon, C.

2004-01-01

We analyse forward-jet production at HERA in the framework of the Golec-Biernat and Wusthoff saturation models. We obtain a good description of the forward-jet cross-sections measured by the H1 and ZEUS Collaborations in the two-hard-scale region (k T∼ Q >> Λ QCD ) with two different parametrizations with either significant or weak saturation effects. The weak saturation parametrization gives a scale compatible with the one found for the proton structure function F2. We argue that Mueller-Navelet jets at the Tevatron and the LHC could help distinguishing between both options

Correcting saturation of detectors for particle/droplet imaging methods

International Nuclear Information System (INIS)

Kalt, Peter A M

2010-01-01

Laser-based diagnostic methods are being applied to more and more flows of theoretical and practical interest and are revealing interesting new flow features. Imaging particles or droplets in nephelometry and laser sheet dropsizing methods requires a trade-off of maximized signal-to-noise ratio without over-saturating the detector. Droplet and particle imaging results in lognormal distribution of pixel intensities. It is possible to fit a derived lognormal distribution to the histogram of measured pixel intensities. If pixel intensities are clipped at a saturated value, it is possible to estimate a presumed probability density function (pdf) shape without the effects of saturation from the lognormal fit to the unsaturated histogram. Information about presumed shapes of the pixel intensity pdf is used to generate corrections that can be applied to data to account for saturation. The effects of even slight saturation are shown to be a significant source of error on the derived average. The influence of saturation on the derived root mean square (rms) is even more pronounced. It is found that errors on the determined average exceed 5% when the number of saturated samples exceeds 3% of the total. Errors on the rms are 20% for a similar saturation level. This study also attempts to delineate limits, within which the detector saturation can be accurately corrected. It is demonstrated that a simple method for reshaping the clipped part of the pixel intensity histogram makes accurate corrections to account for saturated pixels. These outcomes can be used to correct a saturated signal, quantify the effect of saturation on a derived average and offer a method to correct the derived average in the case of slight to moderate saturation of pixels

A novel mechanism for fine-tuning open-state stability in a voltage-gated potassium channel

DEFF Research Database (Denmark)

Pless, Stephan Alexander; Niciforovic, Ana P; Galpin, Jason D

2013-01-01

stabilization is the consequence of the amelioration of an inherently repulsive open-state interaction between the partial negative charge on the face of Phe481 and a highly co-evolved acidic side chain, Glu395, and this interaction is potentially modulated through the Tyr485 hydroxyl. We propose...... fluorinated derivatives of aromatic residues previously implicated in the gating of Shaker potassium channels. Here we show that stepwise dispersion of the negative electrostatic surface potential of only one site, Phe481, stabilizes the channel open state. Furthermore, these data suggest that this apparent...

Ultrafast THz Saturable Absorption in Semiconductors

DEFF Research Database (Denmark)

Turchinovich, Dmitry; Hoffmann, Matthias C.

2011-01-01

We demonstrate THz saturable absorption in n-doped semiconductors GaAs, GaP, and Ge in a nonlinear THz time-domain spectroscopy experiment. Saturable absorption is caused by sample conductivity modulation due to electron heating and satellite valley scattering in the field of a strong THz pulse....

Volatile Compounds in Dry Dog Foods and Their Influence on Sensory Aromatic Profile

Directory of Open Access Journals (Sweden)

Koushik Adhikari

2013-02-01

Full Text Available The aim of this study was to determine volatile compounds in dry dog foods and their possible influence on sensory aromatic profile. Grain-free dry dog foods were compared to dry dog foods manufactured with grain, but also with different protein sources for their aromatic volatiles. Solid-phase microextraction/gas chromatography/mass spectrometry was used to determine the aromatic compounds present in the headspace of these samples. Partial Least Squares regression was performed to correlate the instrumental aromatic data with the descriptive aroma analysis data. A total of 54 aromatic compounds were tentatively identified in the dry dog food samples, with aldehydes and ketones being the most represented organic volatiles group. Grain-added products were on the average higher in total volatiles than grain-free products. Partial Least Squares regression analysis indicated possible connections with sensory aromatic profile and grain-added samples, such as rancid aroma and aldehydes, especially hexanal. The results of this study showed that dry dog foods are products with complex odor characteristics and that grain-free products are less aromatic.

The Effect of n vs. iso Isomerization on the Thermophysical Properties of Aromatic and Non-aromatic Ionic Liquids.

Science.gov (United States)

Rodrigues, Ana S M C; Almeida, Hugo F D; Freire, Mara G; Lopes-da-Silva, José A; Coutinho, João A P; Santos, Luís M N B F

2016-09-15

This work explores the n vs. iso isomerization effects on the physicochemical properties of different families of ionic liquids (ILs) with variable aromaticity and ring size. This study comprises the experimental measurements, in a wide temperature range, of the ILs' thermal behavior, heat capacities, densities, refractive indices, surface tensions, and viscosities. The results here reported show that the presence of the iso -alkyl group leads to an increase of the temperature of the glass transition, T g . The iso- pyrrolidinium (5 atoms ring cation core) and iso -piperidinium (6 atoms ring cation core) ILs present a strong differentiation in the enthalpy and entropy of melting. Non-aromatic ILs have higher molar heat capacities due to the increase of the atomic contribution, whereas it was not found any significant differentiation between the n and iso -alkyl isomers. A small increase of the surface tension was observed for the non-aromatic ILs, which could be related to their higher cohesive energy of the bulk, while the lower surface entropy observed for the iso isomers indicates a structural resemblance between the IL bulk and surface. The significant differentiation between ILs with a 5 and 6 atoms ring cation in the n -alkyl series (where 5 atoms ring cations have higher surface entropy) is an indication of a more efficient arrangement of the non-polar region at the surface in ILs with smaller cation cores. The ILs constituted by non-aromatic piperidinium cation, and iso -alkyl isomers were found to be the most viscous among the studied ILs due to their higher energy barriers for shear stress.

Classification of Malaysia aromatic rice using multivariate statistical analysis

Energy Technology Data Exchange (ETDEWEB)

Abdullah, A. H.; Adom, A. H.; Shakaff, A. Y. Md; Masnan, M. J.; Zakaria, A.; Rahim, N. A. [School of Mechatronic Engineering, Universiti Malaysia Perlis, Kampus Pauh Putra, 02600 Arau, Perlis (Malaysia); Omar, O. [Malaysian Agriculture Research and Development Institute (MARDI), Persiaran MARDI-UPM, 43400 Serdang, Selangor (Malaysia)

2015-05-15

Aromatic rice (Oryza sativa L.) is considered as the best quality premium rice. The varieties are preferred by consumers because of its preference criteria such as shape, colour, distinctive aroma and flavour. The price of aromatic rice is higher than ordinary rice due to its special needed growth condition for instance specific climate and soil. Presently, the aromatic rice quality is identified by using its key elements and isotopic variables. The rice can also be classified via Gas Chromatography Mass Spectrometry (GC-MS) or human sensory panels. However, the uses of human sensory panels have significant drawbacks such as lengthy training time, and prone to fatigue as the number of sample increased and inconsistent. The GC–MS analysis techniques on the other hand, require detailed procedures, lengthy analysis and quite costly. This paper presents the application of in-house developed Electronic Nose (e-nose) to classify new aromatic rice varieties. The e-nose is used to classify the variety of aromatic rice based on the samples odour. The samples were taken from the variety of rice. The instrument utilizes multivariate statistical data analysis, including Principal Component Analysis (PCA), Linear Discriminant Analysis (LDA) and K-Nearest Neighbours (KNN) to classify the unknown rice samples. The Leave-One-Out (LOO) validation approach is applied to evaluate the ability of KNN to perform recognition and classification of the unspecified samples. The visual observation of the PCA and LDA plots of the rice proves that the instrument was able to separate the samples into different clusters accordingly. The results of LDA and KNN with low misclassification error support the above findings and we may conclude that the e-nose is successfully applied to the classification of the aromatic rice varieties.

Classification of Malaysia aromatic rice using multivariate statistical analysis

Science.gov (United States)

Abdullah, A. H.; Adom, A. H.; Shakaff, A. Y. Md; Masnan, M. J.; Zakaria, A.; Rahim, N. A.; Omar, O.

2015-05-01

Aromatic rice (Oryza sativa L.) is considered as the best quality premium rice. The varieties are preferred by consumers because of its preference criteria such as shape, colour, distinctive aroma and flavour. The price of aromatic rice is higher than ordinary rice due to its special needed growth condition for instance specific climate and soil. Presently, the aromatic rice quality is identified by using its key elements and isotopic variables. The rice can also be classified via Gas Chromatography Mass Spectrometry (GC-MS) or human sensory panels. However, the uses of human sensory panels have significant drawbacks such as lengthy training time, and prone to fatigue as the number of sample increased and inconsistent. The GC-MS analysis techniques on the other hand, require detailed procedures, lengthy analysis and quite costly. This paper presents the application of in-house developed Electronic Nose (e-nose) to classify new aromatic rice varieties. The e-nose is used to classify the variety of aromatic rice based on the samples odour. The samples were taken from the variety of rice. The instrument utilizes multivariate statistical data analysis, including Principal Component Analysis (PCA), Linear Discriminant Analysis (LDA) and K-Nearest Neighbours (KNN) to classify the unknown rice samples. The Leave-One-Out (LOO) validation approach is applied to evaluate the ability of KNN to perform recognition and classification of the unspecified samples. The visual observation of the PCA and LDA plots of the rice proves that the instrument was able to separate the samples into different clusters accordingly. The results of LDA and KNN with low misclassification error support the above findings and we may conclude that the e-nose is successfully applied to the classification of the aromatic rice varieties.

Classification of Malaysia aromatic rice using multivariate statistical analysis

International Nuclear Information System (INIS)

Abdullah, A. H.; Adom, A. H.; Shakaff, A. Y. Md; Masnan, M. J.; Zakaria, A.; Rahim, N. A.; Omar, O.

2015-01-01

Aromatic rice (Oryza sativa L.) is considered as the best quality premium rice. The varieties are preferred by consumers because of its preference criteria such as shape, colour, distinctive aroma and flavour. The price of aromatic rice is higher than ordinary rice due to its special needed growth condition for instance specific climate and soil. Presently, the aromatic rice quality is identified by using its key elements and isotopic variables. The rice can also be classified via Gas Chromatography Mass Spectrometry (GC-MS) or human sensory panels. However, the uses of human sensory panels have significant drawbacks such as lengthy training time, and prone to fatigue as the number of sample increased and inconsistent. The GC–MS analysis techniques on the other hand, require detailed procedures, lengthy analysis and quite costly. This paper presents the application of in-house developed Electronic Nose (e-nose) to classify new aromatic rice varieties. The e-nose is used to classify the variety of aromatic rice based on the samples odour. The samples were taken from the variety of rice. The instrument utilizes multivariate statistical data analysis, including Principal Component Analysis (PCA), Linear Discriminant Analysis (LDA) and K-Nearest Neighbours (KNN) to classify the unknown rice samples. The Leave-One-Out (LOO) validation approach is applied to evaluate the ability of KNN to perform recognition and classification of the unspecified samples. The visual observation of the PCA and LDA plots of the rice proves that the instrument was able to separate the samples into different clusters accordingly. The results of LDA and KNN with low misclassification error support the above findings and we may conclude that the e-nose is successfully applied to the classification of the aromatic rice varieties

Electrical conductivity modeling in fractal non-saturated porous media

Science.gov (United States)

Wei, W.; Cai, J.; Hu, X.; Han, Q.

2016-12-01

The variety of electrical conductivity in non-saturated conditions is important to study electric conduction in natural sedimentary rocks. The electrical conductivity in completely saturated porous media is a porosity-function representing the complex connected behavior of single conducting phases (pore fluid). For partially saturated conditions, the electrical conductivity becomes even more complicated since the connectedness of pore. Archie's second law is an empirical electrical conductivity-porosity and -saturation model that has been used to predict the formation factor of non-saturated porous rock. However, the physical interpretation of its parameters, e.g., the cementation exponent m and the saturation exponent n, remains questionable. On basis of our previous work, we combine the pore-solid fractal (PSF) model to build an electrical conductivity model in non-saturated porous media. Our theoretical porosity- and saturation-dependent models contain endmember properties, such as fluid electrical conductivities, pore fractal dimension and tortuosity fractal dimension (representing the complex degree of electrical flowing path). We find the presented model with non-saturation-dependent electrical conductivity datasets indicate excellent match between theory and experiments. This means the value of pore fractal dimension and tortuosity fractal dimension change from medium to medium and depends not only on geometrical properties of pore structure but also characteristics of electrical current flowing in the non-saturated porous media.

Polycyclic Aromatic Hydrocarbons as Plausible Prebiotic Membrane Components

Science.gov (United States)

Groen, Joost; Deamer, David W.; Kros, Alexander; Ehrenfreund, Pascale

2012-08-01

Aromatic molecules delivered to the young Earth during the heavy bombardment phase in the early history of our solar system were likely to be among the most abundant and stable organic compounds available. The Aromatic World hypothesis suggests that aromatic molecules might function as container elements, energy transduction elements and templating genetic components for early life forms. To investigate the possible role of aromatic molecules as container elements, we incorporated different polycyclic aromatic hydrocarbons (PAH) in the membranes of fatty acid vesicles. The goal was to determine whether PAH could function as a stabilizing agent, similar to the role that cholesterol plays in membranes today. We studied vesicle size distribution, critical vesicle concentration and permeability of the bilayers using C6-C10 fatty acids mixed with amphiphilic PAH derivatives such as 1-hydroxypyrene, 9-anthracene carboxylic acid and 1,4 chrysene quinone. Dynamic Light Scattering (DLS) spectroscopy was used to measure the size distribution of vesicles and incorporation of PAH species was established by phase-contrast and epifluorescence microscopy. We employed conductimetric titration to determine the minimal concentration at which fatty acids could form stable vesicles in the presence of PAHs. We found that oxidized PAH derivatives can be incorporated into decanoic acid (DA) vesicle bilayers in mole ratios up to 1:10 (PAH:DA). Vesicle size distribution and critical vesicle concentration were largely unaffected by PAH incorporation, but 1-hydroxypyrene and 9-anthracene carboxylic acid lowered the permeability of fatty acid bilayers to small solutes up to 4-fold. These data represent the first indication of a cholesterol-like stabilizing effect of oxidized PAH derivatives in a simulated prebiotic membrane.

Aromatic claw: A new fold with high aromatic content that evades structural prediction: Aromatic Claw

Energy Technology Data Exchange (ETDEWEB)

Sachleben, Joseph R. [Biomolecular NMR Core Facility, University of Chicago, Chicago Illinois; Adhikari, Aashish N. [Department of Chemistry, University of Chicago, Chicago Illinois; Gawlak, Grzegorz [Department of Biochemistry and Molecular Biology, University of Chicago, Chicago Illinois; Hoey, Robert J. [Department of Biochemistry and Molecular Biology, University of Chicago, Chicago Illinois; Liu, Gaohua [Northeast Structural Genomics Consortium (NESG), Department of Molecular Biology and Biochemistry, School of Arts and Sciences, and Department of Biochemistry and Molecular Biology, Robert Wood Johnson Medical School, and Center for Advanced Biotechnology and Medicine, Rutgers, The State University of New Jersey, Piscataway New Jersey; Joachimiak, Andrzej [Department of Biochemistry and Molecular Biology, University of Chicago, Chicago Illinois; Biological Sciences Division, Argonne National Laboratory, Argonne Illinois; Montelione, Gaetano T. [Northeast Structural Genomics Consortium (NESG), Department of Molecular Biology and Biochemistry, School of Arts and Sciences, and Department of Biochemistry and Molecular Biology, Robert Wood Johnson Medical School, and Center for Advanced Biotechnology and Medicine, Rutgers, The State University of New Jersey, Piscataway New Jersey; Sosnick, Tobin R. [Department of Biochemistry and Molecular Biology, University of Chicago, Chicago Illinois; Koide, Shohei [Department of Biochemistry and Molecular Biology, University of Chicago, Chicago Illinois; Department of Biochemistry and Molecular Pharmacology and the Perlmutter Cancer Center, New York University School of Medicine, New York New York

2016-11-10

We determined the NMR structure of a highly aromatic (13%) protein of unknown function, Aq1974 from Aquifex aeolicus (PDB ID: 5SYQ). The unusual sequence of this protein has a tryptophan content five times the normal (six tryptophan residues of 114 or 5.2% while the average tryptophan content is 1.0%) with the tryptophans occurring in a WXW motif. It has no detectable sequence homology with known protein structures. Although its NMR spectrum suggested that the protein was rich in β-sheet, upon resonance assignment and solution structure determination, the protein was found to be primarily α-helical with a small two-stranded β-sheet with a novel fold that we have termed an Aromatic Claw. As this fold was previously unknown and the sequence unique, we submitted the sequence to CASP10 as a target for blind structural prediction. At the end of the competition, the sequence was classified a hard template based model; the structural relationship between the template and the experimental structure was small and the predictions all failed to predict the structure. CSRosetta was found to predict the secondary structure and its packing; however, it was found that there was little correlation between CSRosetta score and the RMSD between the CSRosetta structure and the NMR determined one. This work demonstrates that even in relatively small proteins, we do not yet have the capacity to accurately predict the fold for all primary sequences. The experimental discovery of new folds helps guide the improvement of structural prediction methods.

Certification of selected polynuclear aromatic hydrocarbons in standard reference material 1580, 'Organics in Shale Oil'. Final report

Energy Technology Data Exchange (ETDEWEB)

May, W.E.; Brown-Thomas, J.M.; Hilpert, L.R.; Wise, S.A.

1981-01-01

Two independent analytical methods were developed and used to certify the concentrations of five polynuclear aromatic hydrocarbons (PAH) in a shale oil sample (SRM 1580). In the sequential high-performance liquid chromatographic method, PAH are isolated from the matrix by chromatography on an aminosilane column. The individual analyte species were separated, identified, and quantified by chromatography on an octadecylsilane column with spectrofluorimetric detection. Dilution of the sample in methylene chloride was the only sample preparation step necessary prior to analysis by gas chromatography/mass spectrometry (GC/MS). The GC/MS determinations were performed using selected ion monitoring (SIM) and a standard addition technique for quantification. The polynuclear aromatic hydrocarbons of interest were separated on a 30 m SE-52 wall coated open tubular column interfaced to a quadrupole mass spectrometer through a 25 cm length of Pt/Ir tubing (0.15 mm i.d.). Excellent agreement was observed between the data obtained from these methods.

Metal Triflates for the Production of Aromatics from Lignin.

Science.gov (United States)

Deuss, Peter J; Lahive, Ciaran W; Lancefield, Christopher S; Westwood, Nicholas J; Kamer, Paul C J; Barta, Katalin; de Vries, Johannes G

2016-10-20

The depolymerization of lignin into valuable aromatic chemicals is one of the key goals towards establishing economically viable biorefineries. In this contribution we present a simple approach for converting lignin to aromatic monomers in high yields under mild reaction conditions. The methodology relies on the use of catalytic amounts of easy-to-handle metal triflates (M(OTf) x ). Initially, we evaluated the reactivity of a broad range of metal triflates using simple lignin model compounds. More advanced lignin model compounds were also used to study the reactivity of different lignin linkages. The product aromatic monomers were either phenolic C2-acetals obtained by stabilization of the aldehyde cleavage products by reaction with ethylene glycol or methyl aromatics obtained by catalytic decarbonylation. Notably, when the method was ultimately tested on lignin, especially Fe(OTf) 3 proved very effective and the phenolic C2-acetal products were obtained in an excellent, 19.3±3.2 wt % yield. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

A neurotoxicity assessment of high flash aromatic naphtha.

Science.gov (United States)

Douglas, J F; McKee, R H; Cagen, S Z; Schmitt, S L; Beatty, P W; Swanson, M S; Schreiner, C A; Ulrich, C E; Cockrell, B Y

1993-01-01

Catalytic reforming is a refining process that converts naphthenes to aromatics by dehydrogenation to make higher octane gasoline blending components. A portion of this wide-boiling range hydrocarbon stream can be separated by distillation and used for other purposes. One such application is a mixture of predominantly 9-carbon aromatic molecules (C9 Aromatics, primarily isomers of ethyltoluene and trimethylbenzene), which is removed and used as a solvent also known as High Flash Aromatic Naphtha (HFAN). A program was initiated to assess the toxicological properties of HFAN since there may be human exposure, especially in the workplace. The current study was conducted to assess the potential for neurotoxicity in the rat. Adult male Sprague-Dawley rats of approximately 300 grams body weight, in groups of twenty, were exposed by inhalation to HFAN for 90 days at concentrations of 0, 100, 500, and 1500 ppm. During this period the animals were tested monthly for motor activity and in a functional observation battery. After three months of exposure, for 6 hours/day, 5 days/week, 10 animals/group/sex were sacrificed and selected nervous system tissue was examined histopathologically. No signs of neurotoxicity were seen in any of the evaluated parameters, nor was there evidence of pathologic changes in any of the examined tissues.

Activity relationships for aromatic crown ethers

International Nuclear Information System (INIS)

Wilson, Mark James

1998-01-01

This thesis involves an investigation of aromatic crown ethers and a study of their binding constants for alkali metals. The study was motivated by the current needs of the semiconductor industry to improve the scavenging of mobile ions from fabricated circuits. A number of aromatic crown ethers have been sulphonated in an attempt to improve their water solubility and cation binding activity. These materials have been extensively studied and their binding activity determined. In collaboration with a molecular modelling study, the effect of ionisable sulphonate groups on the macrocycles' behaviour has been investigated. The broader issue of the effect of substituents in aromatic crown ethers has also been studied with the preparation of a wide range of substituted crown ethers. The cation binding activity of these materials has been found to bear a simple relationship to the electron withdrawing nature of the aromatic substituents. This relationship can be accurately monitored using electronic charge densities from molecular modelling and this rational has been applied to the study of proton ionisable and lariating crown ethers. The incorporation of crown ethers into polyamic acid and polyimide frameworks has also been investigated, where the resulting materials have been found to exhibit unusual cation binding and uptake properties. These results imply that the combination of the crown ethers' macrocycle and adjacent carboxylic acid residues, from the polyamic acids, are conducive to effective cationic binding. NMR measurements, in conjunction with molecular modelling, have been used to explore the geometry changes encountered as the crown ether goes from it's uncomplexed to its complexed state. The energy requirement for these geometry changes has subsequently been used to examine the cation selectivity of these materials. The electronic charge changes associated with the complexation have also been investigated and correlated with the theoretical results. (author)

Site-Scale Saturated Zone Flow Model

International Nuclear Information System (INIS)

G. Zyvoloski

2003-01-01

The purpose of this model report is to document the components of the site-scale saturated-zone flow model at Yucca Mountain, Nevada, in accordance with administrative procedure (AP)-SIII.lOQ, ''Models''. This report provides validation and confidence in the flow model that was developed for site recommendation (SR) and will be used to provide flow fields in support of the Total Systems Performance Assessment (TSPA) for the License Application. The output from this report provides the flow model used in the ''Site-Scale Saturated Zone Transport'', MDL-NBS-HS-000010 Rev 01 (BSC 2003 [162419]). The Site-Scale Saturated Zone Transport model then provides output to the SZ Transport Abstraction Model (BSC 2003 [164870]). In particular, the output from the SZ site-scale flow model is used to simulate the groundwater flow pathways and radionuclide transport to the accessible environment for use in the TSPA calculations. Since the development and calibration of the saturated-zone flow model, more data have been gathered for use in model validation and confidence building, including new water-level data from Nye County wells, single- and multiple-well hydraulic testing data, and new hydrochemistry data. In addition, a new hydrogeologic framework model (HFM), which incorporates Nye County wells lithology, also provides geologic data for corroboration and confidence in the flow model. The intended use of this work is to provide a flow model that generates flow fields to simulate radionuclide transport in saturated porous rock and alluvium under natural or forced gradient flow conditions. The flow model simulations are completed using the three-dimensional (3-D), finite-element, flow, heat, and transport computer code, FEHM Version (V) 2.20 (software tracking number (STN): 10086-2.20-00; LANL 2003 [161725]). Concurrently, process-level transport model and methodology for calculating radionuclide transport in the saturated zone at Yucca Mountain using FEHM V 2.20 are being

Silicone elastomers with covalently incorporated aromatic voltage stabilisers

DEFF Research Database (Denmark)

A Razak, Aliff Hisyam; Skov, Anne Ladegaard

2017-01-01

to the incorporationof an aromatic voltage stabiliser, were prepared by cross-linking synthesised polydimethylsiloxane–polyphenylmethylsiloxane (PDMS–PPMS) copolymers. PPMS possesses voltage stabilisation capabilitiesbut is immiscible in PDMS, and thus the copolymerisation of the two components was necessary...... forhomogeneity. Concentrations of the voltage stabiliser were varied by changing the molecular weights ofthe PPMS in the copolymer. The developed elastomers were inherently soft with enhanced electricalbreakdown strengths, due to delocalisedp-electrons of the aromatic constituent. An optimumconcentration...

High-Resolution IR Absorption Spectroscopy of Polycyclic Aromatic Hydrocarbons in the 3-micrometers Region: Role of Periphery

Science.gov (United States)

Maltseva, Elena; Petrignani, Annemieke; Candian, Alessandra; Mackie, Cameron J.; Huang, Xinchuan; Lee, Timothy J.; Tielens, Alexander G. G. M.; Oomens, Jos; Buma, Wybren Jan

2017-01-01

In this work we report on high-resolution IR absorption studies that provide a detailed view on how the peripheral structure of irregular polycyclic aromatic hydrocarbons (PAHs) affects the shape and position of their 3-micrometers absorption band. To this purpose we present mass-selected, high-resolution absorption spectra of cold and isolated phenanthrene, pyrene, benz[a]antracene, chrysene, triphenylene, and perylene molecules in the 2950-3150 per cm range. The experimental spectra are compared with standard harmonic calculations, and anharmonic calculations using a modified version of the SPECTRO program that incorporates a Fermi resonance treatment utilizing intensity redistribution. We show that the 3-micrometers region is dominated by the effects of anharmonicity, resulting in many more bands than would have been expected in a purely harmonic approximation. Importantly, we find that anharmonic spectra as calculated by SPECTRO are in good agreement with the experimental spectra. Together with previously reported high-resolution spectra of linear acenes, the present spectra provide us with an extensive dataset of spectra of PAHs with a varying number of aromatic rings, with geometries that range from open to highly-condensed structures, and featuring CH groups in all possible edge configurations. We discuss the astrophysical implications of the comparison of these spectra on the interpretation of the appearance of the aromatic infrared 3-micrometers band, and on features such as the two-component emission character of this band and the 3-micrometers emission plateau.

Observability of linear systems with saturated outputs

NARCIS (Netherlands)

Koplon, R.; Sontag, E.D.; Hautus, M.L.J.

1994-01-01

We present necessary and sufficient conditions for observability of the class of output-saturated systems. These are linear systems whose output passes through a saturation function before it can be measured.

Saturated Zone In-Situ Testing

International Nuclear Information System (INIS)

Reimus, P. W.; Umari, M. J.

2003-01-01

The purpose of this scientific analysis is to document the results and interpretations of field experiments that have been conducted to test and validate conceptual flow and radionuclide transport models in the saturated zone (SZ) near Yucca Mountain. The test interpretations provide estimates of flow and transport parameters that are used in the development of parameter distributions for Total System Performance Assessment (TSPA) calculations. These parameter distributions are documented in the revisions to the SZ flow model report (BSC 2003 [ 162649]), the SZ transport model report (BSC 2003 [ 162419]), the SZ colloid transport report (BSC 2003 [162729]), and the SZ transport model abstraction report (BSC 2003 [1648701]). Specifically, this scientific analysis report provides the following information that contributes to the assessment of the capability of the SZ to serve as a barrier for waste isolation for the Yucca Mountain repository system: (1) The bases for selection of conceptual flow and transport models in the saturated volcanics and the saturated alluvium located near Yucca Mountain. (2) Results and interpretations of hydraulic and tracer tests conducted in saturated fractured volcanics at the C-wells complex near Yucca Mountain. The test interpretations include estimates of hydraulic conductivities, anisotropy in hydraulic conductivity, storativities, total porosities, effective porosities, longitudinal dispersivities, matrix diffusion mass transfer coefficients, matrix diffusion coefficients, fracture apertures, and colloid transport parameters. (3) Results and interpretations of hydraulic and tracer tests conducted in saturated alluvium at the Alluvium Testing Complex (ATC), which is located at the southwestern corner of the Nevada Test Site (NTS). The test interpretations include estimates of hydraulic conductivities, storativities, total porosities, effective porosities, longitudinal dispersivities, matrix diffusion mass transfer coefficients, and

Saturated Zone In-Situ Testing

Energy Technology Data Exchange (ETDEWEB)

P. W. Reimus; M. J. Umari

2003-12-23

The purpose of this scientific analysis is to document the results and interpretations of field experiments that have been conducted to test and validate conceptual flow and radionuclide transport models in the saturated zone (SZ) near Yucca Mountain. The test interpretations provide estimates of flow and transport parameters that are used in the development of parameter distributions for Total System Performance Assessment (TSPA) calculations. These parameter distributions are documented in the revisions to the SZ flow model report (BSC 2003 [ 162649]), the SZ transport model report (BSC 2003 [ 162419]), the SZ colloid transport report (BSC 2003 [162729]), and the SZ transport model abstraction report (BSC 2003 [1648701]). Specifically, this scientific analysis report provides the following information that contributes to the assessment of the capability of the SZ to serve as a barrier for waste isolation for the Yucca Mountain repository system: (1) The bases for selection of conceptual flow and transport models in the saturated volcanics and the saturated alluvium located near Yucca Mountain. (2) Results and interpretations of hydraulic and tracer tests conducted in saturated fractured volcanics at the C-wells complex near Yucca Mountain. The test interpretations include estimates of hydraulic conductivities, anisotropy in hydraulic conductivity, storativities, total porosities, effective porosities, longitudinal dispersivities, matrix diffusion mass transfer coefficients, matrix diffusion coefficients, fracture apertures, and colloid transport parameters. (3) Results and interpretations of hydraulic and tracer tests conducted in saturated alluvium at the Alluvium Testing Complex (ATC), which is located at the southwestern corner of the Nevada Test Site (NTS). The test interpretations include estimates of hydraulic conductivities, storativities, total porosities, effective porosities, longitudinal dispersivities, matrix diffusion mass transfer coefficients, and

SATURATION OF MAGNETOROTATIONAL INSTABILITY THROUGH MAGNETIC FIELD GENERATION

International Nuclear Information System (INIS)

Ebrahimi, F.; Prager, S. C.; Schnack, D. D.

2009-01-01

The saturation mechanism of magnetorotational instability (MRI) is examined through analytical quasi-linear theory and through nonlinear computation of a single mode in a rotating disk. We find that large-scale magnetic field is generated through the α-effect (the correlated product of velocity and magnetic field fluctuations) and causes the MRI mode to saturate. If the large-scale plasma flow is allowed to evolve, the mode can also saturate through its flow relaxation. In astrophysical plasmas, for which the flow cannot relax because of gravitational constraints, the mode saturates through field generation only.

Anomalous length dependence of conductance of aromatic nanoribbons with amine anchoring groups

KAUST Repository

Bilić, Ante

2012-09-06

Two sets of aromatic nanoribbons, based around a common hexagonal scaffolding, with single and dual terminal amine groups have been considered as potential molecular wires in a junction formed by gold leads. Charge transport through the two-terminal device has been modeled using density functional theory (with and without self-interaction correction) and the nonequilibrium Green\\'s function method. The effects of wire length, multiple terminal contacts, and pathways across the junction have been investigated. For nanoribbons with the oligopyrene motif and conventional single amine terminal groups, an increase in the wire length causes an exponential drop in the conductance. In contrast, for the nanoribbons with the oligoperylene motif and dual amine anchoring groups the predicted conductance rises with the wire length over the whole range of investigated lengths. Only when the effects of self-interaction correction are taken into account, the conductance of the oligoperylene ribbons exhibits saturation for longer members of the series. The oligoperylene nanoribbons, with dual amine groups at both terminals, show the potential to fully harness the highly conjugated system of π molecular orbitals across the junction. © 2012 American Physical Society.

Aliphatic-aromatic separation using deep eutectic solvents as extracting agents

NARCIS (Netherlands)

Rodriguez Rodriguez, Nerea; Fernandez Requejo, Patricia; Kroon, Maaike

2015-01-01

The separation of aliphatic and aromatic compounds is a great challenge for chemical engineers. There is no efficient separation process for mixtures with compositions lower than 20 wt % in aromatics. In this work, the feasibility of two different deep eutectic solvents (DESs) as novel extracting

An algorithm to correct saturated mass spectrometry ion abundances for enhanced quantitation and mass accuracy in omic studies

Energy Technology Data Exchange (ETDEWEB)

Bilbao, Aivett; Gibbons, Bryson C.; Slysz, Gordon W.; Crowell, Kevin L.; Monroe, Matthew E.; Ibrahim, Yehia M.; Smith, Richard D.; Payne, Samuel H.; Baker, Erin S.

2018-04-01

The mass accuracy and peak intensity of ions detected by mass spectrometry (MS) measurements are essential to facilitate compound identification and quantitation. However, high concentration species can easily cause problems if their ion intensities reach beyond the limits of the detection system, leading to distorted and non-ideal detector response (e.g. saturation), and largely precluding the calculation of accurate m/z and intensity values. Here we present an open source computational method to correct peaks above a defined intensity (saturated) threshold determined by the MS instrumentation such as the analog-to-digital converters or time-to-digital converters used in conjunction with time-of-flight MS. In this method, the isotopic envelope for each observed ion above the saturation threshold is compared to its expected theoretical isotopic distribution. The most intense isotopic peak for which saturation does not occur is then utilized to re-calculate the precursor m/z and correct the intensity, resulting in both higher mass accuracy and greater dynamic range. The benefits of this approach were evaluated with proteomic and lipidomic datasets of varying complexities. After correcting the high concentration species, reduced mass errors and enhanced dynamic range were observed for both simple and complex omic samples. Specifically, the mass error dropped by more than 50% in most cases with highly saturated species and dynamic range increased by 1-2 orders of magnitude for peptides in a blood serum sample.

Degradation of aromatic compounds in plants grown under aseptic conditions

Energy Technology Data Exchange (ETDEWEB)

Mithaishvili, T.; Ugrekhelidze, D.; Tsereteli, B.; Sadunishvili, T.; Kvesitadze, G. [Durmishidze Inst. of Biochemistry and Biotechnology, Academy of Sciences of Georgia, Tbilisi (Georgia); Scalla, R. [Lab. des Xenobiotiques, INRA, Toulouse (France)

2005-02-01

The aim of the work is to investigate the ability of higher plants to absorb and detoxify environmental pollutants - aromatic compounds via aromatic ring cleavage. Transformation of {sup 14}C specifically labelled benzene derivatives, [1-6-{sup 14}C]-nitrobenzene, [1-6-{sup 14}C]-aniline, [1-{sup 14}C]- and [7-{sup 14}C]-benzoic acid, in axenic seedlings of maize (Zea mays L.), kidney bean (Phaseolus vulgaris L.), pea (Pisum sativum L.) and pumpkin (Cucurbita pepo L.) were studied. After penetration in plants, the above xenobiotics are transformed by oxidative or reductive reactions, conjugation with cell endogenous compounds, and binding to biopolymers. The initial stage of oxidative degradation consists in hydroxylation reactions. The aromatic ring can then be cleaved and degraded into organic acids of the Krebs cycle. Ring cleavage is accompanied by {sup 14}CO{sub 2} evolution. Aromatic ring cleavage in plants has thus been demonstrated for different xenobiotics carrying different substitutions on their benzene ring. Conjugation with low molecular peptides is the main pathway of aromatic xenobiotics detoxification. Peptide conjugates are formed both by the initial xenobiotics (except nitrobenzene) and by intermediate transformation products. The chemical nature of the radioactive fragment and the amino acid composition of peptides participating in conjugation were identified. (orig.)

The future role of aromatics in refining and petrochemistry. Proceedings of the DGMK-Conference (Authors' manuscripts)

Energy Technology Data Exchange (ETDEWEB)

Emig, G.; Rupp, M.; Weitkamp, J. [eds.

1999-07-01

Topic of this conference has been the furure role of aromatics in the refinign industry. The articles deal with the following topics: Refining; legal aspects in the aromatics market; transportation fuels; dearomatization; catalytic reforming and aromatics; separation processes for aromatics; oxidation and ammoxidation of aromatics; electrophilic substitution of aromatics; hydrogenation of benzene; zeolites. (orig./sr)

Ambient aromatic hydrocarbon measurements at Welgegund, South Africa

Energy Technology Data Exchange (ETDEWEB)

Jaars, K.; Beukes, J. P.; van Zyl, P. G.; Venter, A. D.; Josipovic, M.; Pienaar, J. J.; Vakkari, Ville; Aaltonen, H.; Laakso, H.; Kulmala, M.; Tiitta, P.; Guenther, Alex B.; Hellen, H.; Laakso, L.; Hakola, H.

2014-07-11

Aromatic hydrocarbons are associated with direct adverse human health effects and can have negative impacts on ecosystems due to their toxicity, as well as indirect negative effects through the formation of tropospheric ozone and secondary organic aerosol that affect human health, crop production and regional climate. Measurements were conducted at the Welgegund measurement station (South Africa) that is considered to be a regionally representative background site. However, the site is occasionally impacted by plumes from major anthropogenic source regions in the interior of South Africa, which include the western Bushveld Igneous Complex (e.g. platinum, base metal and ferrochrome smelters), the eastern Bushveld Igneous Complex (platinum and ferrochrome smelters), the Johannesburg-Pretoria metropolitan conurbation (>10 million people), the Vaal Triangle (e.g. petrochemical and industries), the Mpumalanga Highveld (e.g. coal-fired power plants and petrochemical industry) and also a region of anti-cyclonic recirculation of air mass over the interior of South Africa. The aromatic hydrocarbon measurements were conducted with an automated sampler on Tenax-TA and Carbopack-B adsorbent tubes with heated inlet for one year. Samples were collected twice a week for two hours during daytime and two hours 1 during night-time. A thermal desorption unit, connected to a gas chromatograph and a mass 2 selective detector was used for sample preparation and analysis. Results indicated that the 3 monthly median total aromatic hydrocarbon concentrations ranged between 0.01 to 3.1 ppb. 4 Benzene levels did not exceed local air quality standards. Toluene was the most abundant 5 species, with an annual median concentration of 0.63 ppb. No statistically significant 6 differences in the concentrations measured during daytime and night-time were found and no distinct seasonal patterns were observed. Air mass back trajectory analysis proved that the lack of seasonal cycles could be

In vivo detection of hemoglobin oxygen saturation and carboxyhemoglobin saturation with multiwavelength photoacoustic microscopy.

Science.gov (United States)

Chen, Zhongjiang; Yang, Sihua; Xing, Da

2012-08-15

A method for noninvasively detecting hemoglobin oxygen saturation (SO2) and carboxyhemoglobin saturation (SCO) in subcutaneous microvasculature with multiwavelength photoacoustic microscopy is presented. Blood samples mixed with different concentrations of carboxyhemoglobin were used to test the feasibility and accuracy of photoacoustic microscopy compared with the blood-gas analyzer. Moreover, fixed-point detection of SO2 and SCO in mouse ear was obtained, and the changes from normoxia to carbon monoxide hypoxia were dynamically monitored in vivo. Experimental results demonstrate that multiwavelength photoacoustic microscopy can detect SO2 and SCO, which has future potential clinical applications.

Continuous Flow Nucleophilic Aromatic Substitution with Dimethylamine Generated in Situ by Decomposition of DMF

DEFF Research Database (Denmark)

Petersen, Trine P; Larsen, Anders Foller; Ritzén, Andreas

2013-01-01

A safe, practical, and scalable continuous flow protocol for the in situ generation of dimethylamine from DMF followed by nucleophilic aromatic substitution of a broad range of aromatic and heteroaromatic halides is reported.......A safe, practical, and scalable continuous flow protocol for the in situ generation of dimethylamine from DMF followed by nucleophilic aromatic substitution of a broad range of aromatic and heteroaromatic halides is reported....

Intra-molecular selectivity of muonium towards chlorinated aromatic compounds

International Nuclear Information System (INIS)

Venkateswaran, K.; Stadlbauer, J.M.; Laing, M.E.; Klugkist, J.; Chong, D.P.; Porter, G.B.; Walker, D.C.

1994-01-01

Muon resonance studies show that muonium atoms (Mu) in ethanol add selectively to certain C-sites of aromatic compounds containing -Cl and -OH substituents. The sites chosen seem to be those carrying the lowest electron density. This helps to characterize Mu as a nucleophile in addition reactions and, in this respect, Mu differs from ordinary H-atoms. The study shows no apparent inter-molecular selectivity between a pair of aromatic solutes in an equimolar mixture, but strong intra-molecular selectivity in an ether composed of those two aromatic rings. This difference between intra- and inter-molecular selectivity is interpreted as kinetic in origin - arising from the 'caging effect' of the solvent and peculiar to reactions close to the diffusion-controlled limit. (orig.)

Photocatalytic oxidation of aromatic amines using MnO2@g ...

Science.gov (United States)

An efficient and direct oxidation of aromatic amines to aromatic azo-compounds has been achieved using a MnO2@g-C3N4 catalyst under visible light as a source of energy at room temperature Prepared for submission to the journal, Advanced Materials Letters.

A Simple Alternative Method for the Synthesis of Aromatic Dialdehydes

OpenAIRE

KOZ, Gamze; ASTLEY, Demet; ASTLEY, Stephen

2011-01-01

Aromatic dialdehydes were synthesized from 5-t-butylsalicylaldehyde and o-vanilline in good yields using paraformaldehyde, hydrobromic acid and catalytic amounts of sulfuric acid in one step which was previously unavailable with present methods. Key Words: aromatic dialdehydes, bromomethylation, 5-t-butylsalicylaldehyde, o-vanilline. 

A Simple Alternative Method for the Synthesis of Aromatic Dialdehydes

OpenAIRE

KOZ, Gamze; ASTLEY, Demet; ASTLEY, Stephen Thomas

2012-01-01

Aromatic dialdehydes were synthesized from 5-t-butylsalicylaldehyde and o-vanilline in good yields using paraformaldehyde, hydrobromic acid and catalytic amounts of sulfuric acid in one step which was previously unavailable with present methods. Key Words: aromatic dialdehydes, bromomethylation, 5-t-butylsalicylaldehyde, o-vanilline. 

Toxicity of Aromatic Ketone to Yeast Cell and Improvement of the Asymmetric Reduction of Aromatic Ketone Catalyzed by Yeast Cell with the Introduction of Resin Adsorption

Directory of Open Access Journals (Sweden)

Zhong-Hua Yang

2008-01-01

Full Text Available Asymmetric reduction of the prochiral aromatic ketone catalyzed by yeast cells is one of the most promising routes to produce its corresponding enantiopure aromatic alcohol, but the space-time yield does not meet people’s expectations. Therefore, the toxicity of aromatic ketone and aromatic alcohol to the yeast cell is investigated in this work. It has been found that the aromatic compounds are poisonous to the yeast cell. The activity of yeast cell decreases steeply when the concentration of acetophenone (ACP is higher than 30.0 mmol/L. Asymmetric reduction of acetophenone to chiral S-α-phenylethyl alcohol (PEA catalyzed by the yeast cell was chosen as the model reaction to study in detail the promotion effect of the introduction of the resin adsorption on the asymmetric reduction reaction. The resin acts as the substrate reservoir and product extraction agent in situ. It has been shown that this reaction could be remarkably improved with this technique when the appropriate kind of resin is applied. The enantioselectivity and yield are acceptable even though the initial ACP concentration reaches 72.2 mmol/L.

Saturation of bentonite dependent upon temperature

International Nuclear Information System (INIS)

Hausmannova, Lucie; Vasicek, Radek

2010-01-01

Document available in extended abstract form only. The fundamental idea behind the long-term safe operation of a deep repository is the use of the Multi-barrier system principle. Barriers may well differ according to the type of host rock in which the repository is located. It is assumed that the buffer in the granitic host rock environment will consist of swelling clays which boast the ideal properties for such a function i.e. low permeability, high swelling pressure, self-healing ability etc. all of which are affected primarily by mineralogy and dry density. Water content plays a crucial role in the activation of swelling pressure as well as, subsequently, in the potential self healing of the various contact areas of the numerous buffer components made from bentonite. In the case of a deep repository, a change in water content is not only connected with the possible intake of water from the host rock, but also with its redistribution owing to changes in temperature after the insertion of the heat source (disposal waste package containing spent fuel) into the repository 'nest'. The principal reason for the experimental testing of this high dry density material is the uncertainty with regard to its saturation ability (final water content or the degree of saturation) at higher temperatures. The results of the Mock-Up-CZ experiment showed that when the barrier is constantly supplied with a saturation medium over a long time period the water content in the barrier as well as the degree of saturation settle independently of temperature. The Mock-Up-CZ experiment was performed at temperatures of 30 deg. - 90 deg. C in the barrier; therefore it was decided to experimentally verify this behaviour by means of targeted laboratory tests. A temperature of 110 deg. C was added to the set of experimental temperatures resulting in samples being tested at 25 deg. C, 95 deg. C and 110 deg. C. The degree of saturation is defined as the ratio of pore water volume to pore

Adsorption of aromatic hydrocarbons and ozone at environmental aqueous surfaces.

Science.gov (United States)

Vácha, Robert; Cwiklik, Lukasz; Rezác, Jan; Hobza, Pavel; Jungwirth, Pavel; Valsaraj, Kalliat; Bahr, Stephan; Kempter, Volker

2008-06-05

Adsorption of environmentally important aromatic molecules on a water surface is studied by means of classical and ab initio molecular dynamics simulations and by reflection-absorption infrared spectroscopy. Both techniques show strong activity and orientational preference of these molecules at the surface. Benzene and naphthalene, which bind weakly to water surface with a significant contribution of dispersion interactions, prefer to lie flat on water but retain a large degree of orientational flexibility. Pyridine is more rigid at the surface. It is tilted with the nitrogen end having strong hydrogen bonding interactions with water molecules. The degree of adsorption and orientation of aromatic molecules on aqueous droplets has atmospheric implications for heterogeneous ozonolysis, for which the Langmuir-Hinshelwood kinetics mechanism is discussed. At higher coverages of aromatic molecules the incoming ozone almost does not come into contact with the underlying aqueous phase. This may rationalize the experimental insensitivity of the ozonolysis on the chemical nature of the substrate on which the aromatic molecules adsorb.

Production of alkyl-aromatics from light oxygenates over zeolite catalysts for bio-oil refining

Science.gov (United States)

Hoang, Trung Q.

Upgrading of light oxygenates derived from biomass conversion, such as propanal and glycerol, to more valuable aromatics for biofuels has been demonstrated on zeolite catalysts. Aromatics with a high ratio of C 9/(C8+C7) and little benzene are produced at much higher yield from oxygenates than from olefins at mild conditions over HZSM-5. It is proposed that C9 aromatics are predominantly produced via acid-catalyzed aldol condensation. This reaction pathway is different from the pathway of propylene and other hydrocarbon aromatization that occurs via a hydrocarbon pool at more severe conditions with major aromatic products C6 and C7. In fact, investigation on the effect of crystallite size HZSM-5 has shown a higher ratio of C9/(C8+C 7) aromatics on small crystallite. This is due to faster removal of products from the shorter diffusion path length. As a result, a longer catalyst lifetime, less isomerization, and less cracking were observed on small crystallites. Beside crystallite size, pore geometry of zeolites was also found to significantly affect aromatic production for both conversion of propanal and glycerol. It is shown that the structure of the HZSM-22, with a one-dimensional and narrower channel system, restricts the formation of aromatics. In contrast, a higher yield of aromatic products is observed over HZSM-5 with its three-dimensional channel system. By increasing channel dimension and connectivity of the channels, increasing catalyst activity was also observed due to more accessible acid sites. It was also found that glycerol is highly active for dehydration on zeolites to produce high yields of acrolein (propenal), a high value chemical. To maximize aromatics from glycerol conversion, HZSM-5 and HY were found to be effective. A two-bed reactor of Pd/ZnO and HZSM-5 was used to first deoxygenate/hydrogenate glycerol over Pd/ZnO to intermediate oxygenates that can further aromatize on HZSM-5. The end results are very promising with significant improvement

Minimum K_2,3-saturated Graphs

OpenAIRE

Chen, Ya-Chen

2010-01-01

A graph is K_{2,3}-saturated if it has no subgraph isomorphic to K_{2,3}, but does contain a K_{2,3} after the addition of any new edge. We prove that the minimum number of edges in a K_{2,3}-saturated graph on n >= 5 vertices is sat(n, K_{2,3}) = 2n - 3.

Development of a yeast cell factory for production of aromatic products

DEFF Research Database (Denmark)

Rodriguez Prado, Edith Angelica; Kildegaard, Kanchana Rueksomtawin; Li, Mingji

2014-01-01

There is much interest in aromatic chemicals in the chemical industry as these can be used for production of dyes, anti-oxidants, nutraceuticals and food ingredients. Yeast is a widely used cell factory and it is particularly well suited for production of aromatic chemicals via complex biosynthetic...... routes involving P450 enzymes. In Saccharomyces cerevisiae the fluxes towards aromatic acids (L-tryptophan, L-tyrosine and L-phenylalanine) are strictly controlled on transcriptional and kinetic levels and therefore are difficult to manipulate. We engineered S. cerevisiae for increased production...... of aromatic compounds by eliminating degradation, up-regulating the key enzyme encoding genes, and removing feed-back inhibition in the pathway. In order to test the strain performance we overexpressed heterologous pathway for coumaric acid production. We obtained 4-fold higher concentrations of coumaric acid...

Organic superalkalis with closed-shell structure and aromaticity

Science.gov (United States)

Srivastava, Ambrish Kumar

2018-06-01

Benzene (C6H6) and polycyclic hydrocarbons such as naphthalene (C10H8), anthracene (C14H10) and coronene (C24H12) are well known aromatic organic compounds. We study the substitution of Li replacing all H-atoms in these hydrocarbons using density functional method. The vertical ionisation energy of such lithiated species, i.e. C6Li6, C10Li8, C14Li10 and C24Li12 ranges 4.24-4.50 eV, which is lower than the ionisation energy (IE) of Li atom. Thus, these species may behave as superalkalis due to their lower IE than alkali metal. However, these lithiated species possess planar and closed-shell structure, unlike typical superalkalis. Furthermore, all Li-substituted species are aromatic although their degree of aromaticity is reduced as compared to corresponding hydrocarbon analogues. We have further explored the structure of C6Li6 as star-like, unlike its inorganic analogue B3N3Li6, which appears as fan-like structure. We have also demonstrated that the interaction of C6Li6 with a superhalogen (such as BF4) is similar to that of a typical superalkali (such as OLi3). This may further suggest that the proposed lithiated species may form a new class of closed-shell organic superalkalis with aromaticity.

Efficient and Selective Reduction of Aromatic Nitro Compounds to Aromatic Amines by NbCl{sub 5}/Indium System

Energy Technology Data Exchange (ETDEWEB)

Yoo, Byung Woo; Kim, Duckil; Kim, Hyung Min; Kang, Sung Ho [Korea Univ., Seoul (Korea, Republic of)

2012-09-15

Aromatic amines find applicability in diverse fields including dyes, pharmaceuticals, agrochemicals, and photographic materials. To date, there are a variety of methods, which can be used to convert aromatic nitro compounds to their corresponding amines. Some of them include Cp{sub 2}TiCl{sub 2}/In, Al/NH{sub 4}Cl, (NH{sub 4}){sub 2}SO{sub 4}/NaBH{sub 4}, NiCl{sub 2}6H{sub 2}O/In, HI, Sm/I{sub 2}, In/NH{sub 4}Cl, B{sub 4}H{sub 10}/Pd/C, Co{sub 2}(CO){sub 8}/H{sub 2}O and In/HCl. However, most methods still lack the desired chemo-selectivity when other reducible functional groups are present in the nitroarene and often require long reaction times, or harsh reaction conditions. Consequently, efficient and selective methods for the reduction of aromatic nitro compounds continue to be developed. It has been reported that NbCl{sub 5}/Zn system is used as a reagent for reducing sulfoxides, epoxides, and amine N-oxides.12 Because of the close resemblance of indium to zinc in several respects, including first ionization potential, we considered that NbCl{sub 5}/In system can be an efficient reducing agent for the conversion of aromatic nitro compounds to the corresponding amines. Recently, indium metal has attracted much attention for its unique properties such as low toxicity and high stability in water and air compared with other metals. In continuation of our interest in exploring the utility of metal-metal salt system in organic synthesis, we would like to report an efficient and chemo-selective method for the reduction of various aromatic nitro compounds to the corresponding amines by treatment with NbCl{sub 5}/In system (eq. 1). The new reduction system was generated by the addition of indium powder to a stirred solution of niobium(V) chloride in THF under sonication. The generation of low-valent niobium species was examined at room temperature with an excess of indium metal. The observations suggest that this procedure can be applied for the chemo

Noise-Immune Cavity-Enhanced Optical Heterodyne Molecular Spectrometry Modelling Under Saturated Absorption

Science.gov (United States)

Dupré, Patrick

2015-06-01

The Noise-Immune Cavity-Enhanced Optical Heterodyne Molecular Spectrometry (NICE-OHMS) is a modern technique renowned for its ultimate sensitivity, because it combines long equivalent absorption length provided by a high finesse cavity, and a detection theoretically limited by the sole photon-shot-noise. One fallout of the high finesse is the possibility to accumulating strong intracavity electromagnetic fields (EMF). Under this condition, molecular transitions can be easy saturated giving rise to the usual Lamb dips (or hole burning). However, the unusual shape of the basically trichromatic EMF (due to the RF lateral sidebands) induces nonlinear couplings, i.e., new crossover transitions. An analytical methodology will be presented to calculate spectra provided by NICE-OHMS experiments. It is based on the solutions of the equations of motion of an open two-blocked-level system performed in the frequency-domain (optically thin medium). Knowing the transition dipole moment, the NICE-OHMS signals (``absorption-like'' and ``dispersion-like'') can be simulated by integration over the Doppler shifts and by paying attention to the molecular Zeeman sublevels and to the EMF polarization The approach has been validated by discussion experimental data obtained on two transitions of {C2H2} in the near-infrared under moderated saturation. One of the applications of the saturated absorption is to be able to simultaneously determine the transition intensity and the density number while only one these 2 quantities can only be assessed in nonlinear absorption. J. Opt. Soc. Am. B 32, 838 (2015) Optics Express 16, 14689 (2008)

Design and screening of ASIC inhibitors based on aromatic diamidines for combating neurological disorders.

Science.gov (United States)

Chen, Xuanmao; Orser, Beverley A; MacDonald, John F

2010-12-01

Acid sensing ion channels (ASICs) are implicated in various brain functions including learning and memory and are involved in a number of neurological disorders such as pain, ischemic stroke, depression, and multiple sclerosis. We have recently defined ASICs as one of receptor targets of aromatic diamidines in neurons. Aromatic diamidines are DNA-binding agents and have long been used in the treatment of leishmaniasis, trypanosomiasis, pneumocystis pneumonia and babesiosis. Moreover, some aromatic diamidines are used as skin-care and baby products and others have potential to suppress tumor growth or to combat malaria. A large number of aromatic diamidines or analogs have been synthesized. Many efforts are being made to optimize the therapeutic spectrum of aromatic diamidines, i.e. to reduce toxicity, increase oral bioavailability and enhance their penetration of the blood-brain barrier. Aromatic diamidines therefore provide a shortcut of screening for selective ASIC inhibitors with therapeutic potential. Intriguingly nafamostat, a protease inhibitor for treating acute pancreatitis, also inhibits ASIC activities. Aromatic diamidines and nafamostat have many similarities although they belong to distinct classes of medicinal agents for curing different diseases. Here we delineate background, clinical application and drug development of aromatic diamidines that could facilitate the screening for selective ASIC inhibitors for research purposes. Further studies may lead to a drug with therapeutic value and extend the therapeutic scope of aromatic diamidines to combat neurological diseases. Copyright © 2010 Elsevier B.V. All rights reserved.

Presence and potential significance of aromatic-ketone groups in aquatic humic substances

Science.gov (United States)

Leenheer, J.A.; Wilson, M.A.; Malcolm, R.L.

1987-01-01

Aquatic humic- and fulvic-acid standards of the International Humic Substances Society were characterized, with emphasis on carbonyl-group nature and content, by carbon-13 nuclear-magnetic-resonance spectroscopy, proton nuclear-magnetic-resonance spectroscopy, and infrared spectroscopy. After comparing spectral results of underivatized humic and fulvic acids with spectral results of chemically modified derivatives, that allow improved observation of the carbonyl group, the data clearly indicated that aromatic ketone groups comprised the majority of the carbonyl-group content. About one ketone group per monocyclic aromatic ring was determined for both humic and fulvic acids. Aromatic-ketone groups were hypothesized to form by photolytic rearrangements and oxidation of phenolic ester and hydrocarbon precursors; these groups have potential significance regarding haloform formation in water, reactivity resulting from active hydrogen of the methyl and methylene adjacent to the ketone groups, and formation of hemiketal and lactol structures. Aromatic-ketone groups also may be the point of attachment between aliphatic and aromatic moieties of aquatic humic-substance structure. ?? 1987.

Identification and quantification of seven fused aromatic rings C26H14 peri-condensed benzenoid polycyclic aromatic hydrocarbons in a complex mixture of polycyclic aromatic hydrocarbons from coal tar.

Science.gov (United States)

Oña-Ruales, Jorge O; Ruiz-Morales, Yosadara; Wise, Stephen A

2016-04-15

A methodology for the characterization of groups of polycyclic aromatic hydrocarbons (PAHs) using a combination of normal phase liquid chromatography with ultraviolet-visible spectroscopy (NPLC/UV-vis) and gas chromatography with mass spectrometry (GC/MS) was used for the identification and quantification of seven fused aromatic rings C26H14 peri-condensed benzenoid polycyclic aromatic hydrocarbons, PAHs, in standard reference material (SRM) 1597a, complex mixture of PAHs from coal tar. The NPLC/UV-vis isolated the fractions based on the number of aromatic carbons and the GC/MS allowed the identification and quantification of five of the nine C26H14 PAH isomers; naphtho[1,2,3,4-ghi]perylene, dibenzo[b,ghi]perylene, dibenzo[b,pqr]perylene, naphtho[8,1,2-bcd]perylene, and dibenzo[cd,lm]perylene using a retention time comparison with authentic reference standards. For the other four benzenoid isomers with no available reference standards the following two approaches were used. First, the annellation theory was used to achieve the potential identification of benzo[qr]naphtho[3,2,1,8-defg]chrysene, and second, the elution distribution in the GC fractions was used to support the potential identification of benzo[qr]naphtho[3,2,1,8-defg]chrysene and to reach the tentative identifications of dibenzo[a,ghi]perylene, naphtho[7,8,1,2,3-pqrst]pentaphene, and anthra[2,1,9,8-opqra]naphthacene. It is the first time that naphtho[1,2,3,4-ghi]perylene, dibenzo[b,ghi]perylene, dibenzo[b,pqr]perylene, naphtho[8,1,2-bcd]perylene, and dibenzo[cd,lm]perylene are quantified, and the first time that benzo[qr]naphtho[3,2,1,8-defg]chrysene is potentially identified, in any sample, in any context. Copyright © 2016 Elsevier B.V. All rights reserved.

Scintillation probe with photomultiplier tube saturation indicator

International Nuclear Information System (INIS)

Ruch, J.F.; Urban, D.J.

1996-01-01

A photomultiplier tube saturation indicator is formed by supplying a supplemental light source, typically an light emitting diode (LED), adjacent to the photomultiplier tube. A switch allows the light source to be activated. The light is forwarded to the photomultiplier tube by an optical fiber. If the probe is properly light tight, then a meter attached to the indicator will register the light from the LED. If the probe is no longer light tight, and the saturation indicator is saturated, no signal will be registered when the LED is activated. 2 figs

Enhanced Accessibility of Polycyclic Aromatic Hydrocarbons (PAHs) and Heterocyclic PAHs in Industrially Contaminated Soil after Passive Dosing of a Competitive Sorbate

DEFF Research Database (Denmark)

Humel, Stefan; Nørgaard Schmidt, Stine; Sumetzberger-Hasinger, Marion

2017-01-01

To assess the exposure to polycyclic aromatic hydrocarbons (PAHs) it is important to understand the binding mechanisms between specific soil constituents and the organic pollutant. In this study, sorptive bioaccessibility extraction (SBE) was applied to quantify the accessible PAH fraction...... in industrially contaminated soil with and without passive dosing of a competitive sorbate. SBE experiments revealed an accessible PAH fraction of 41 ± 1% (∑16 US EPA PAHs + 5 further PAHs). The passive dosing of toluene below its saturation level revealed competitive binding and resulted in an average increase.......4% PAH. We explain increased PAH desorption after addition of toluene by competitive adsorption to high-affinity sorption sites while acknowledging that toluene could additionally have increased PAH mobility within the soil matrix. Findings suggest that the presence of copollutants at contaminated sites...

HIGH-RESOLUTION IR ABSORPTION SPECTROSCOPY OF POLYCYCLIC AROMATIC HYDROCARBONS IN THE 3 μ m REGION: ROLE OF PERIPHERY

Energy Technology Data Exchange (ETDEWEB)

Maltseva, Elena; Petrignani, Annemieke; Buma, Wybren Jan [University of Amsterdam, Science Park 904, 1098 XH Amsterdam (Netherlands); Candian, Alessandra; Mackie, Cameron J.; Tielens, Alexander G. G. M. [Leiden Observatory, Niels Bohrweg 2, 2333 CA Leiden (Netherlands); Huang, Xinchuan [SETI Institute, 189 Bernardo Avenue, Suite 100, Mountain View, CA 94043 (United States); Lee, Timothy J. [NASA Ames Research Center, Moffett Field, California 94035-1000 (United States); Oomens, Jos, E-mail: w.j.buma@uva.nl [Radboud University, Toernooiveld 7, 6525 ED Nijmegen (Netherlands)

2016-11-01

In this work we report on high-resolution IR absorption studies that provide a detailed view on how the peripheral structure of irregular polycyclic aromatic hydrocarbons (PAHs) affects the shape and position of their 3 μ m absorption band. For this purpose, we present mass-selected, high-resolution absorption spectra of cold and isolated phenanthrene, pyrene, benz[a]antracene, chrysene, triphenylene, and perylene molecules in the 2950–3150 cm{sup −1} range. The experimental spectra are compared with standard harmonic calculations and anharmonic calculations using a modified version of the SPECTRO program that incorporates a Fermi resonance treatment utilizing intensity redistribution. We show that the 3 μ m region is dominated by the effects of anharmonicity, resulting in many more bands than would have been expected in a purely harmonic approximation. Importantly, we find that anharmonic spectra as calculated by SPECTRO are in good agreement with the experimental spectra. Together with previously reported high-resolution spectra of linear acenes, the present spectra provide us with an extensive data set of spectra of PAHs with a varying number of aromatic rings, with geometries that range from open to highly condensed structures, and featuring CH groups in all possible edge configurations. We discuss the astrophysical implications of the comparison of these spectra on the interpretation of the appearance of the aromatic infrared 3 μ m band, and on features such as the two-component emission character of this band and the 3 μ m emission plateau.

Effects of sulfur and aromatic contents in gasoline on motorcycle emissions

Science.gov (United States)

Yao, Yung-Chen; Tsai, Jiun-Horng; Chang, An-Lin; Jeng, Fu-Tien

By investigating the effect of sulfur and aromatic contents in gasoline on the criteria pollutant emissions [CO, total hydrocarbons (THCs), and NO x] and on air toxics in the exhaust from a non-catalyst four-stroke motorcycle engine, inferences can be made concerning the effect of fuel composition on motorcycle emissions. The fuels were blended with different contents of sulfur (40 and 150 ppmw) and aromatics (20 and 30 vol%). The data indicate that the sulfur content does not correlate with the emissions of the criteria pollutants from the catalyst free engine. Instead, lowering aromatic content in gasoline reduced the THC emission by over 30%, especially in the cruising test. The NO x emission, however, showed an inverse correlation with the aromatic content in gasoline. While a reduction of aromatic content in gasoline may decrease emissions of benzene and toluene, it will increase the emission of aldehyde. Since the percentage changes of emission factor of THC and air toxics in the motorcycle were larger than those in passenger cars, the benefit of emission reduction due to fuel composition changes in motorcycles may have significant impacts in health risk analysis.

Development of aromatic giant-embryo rice by molecular marker-assisted selection

Directory of Open Access Journals (Sweden)

ZHU Yingdong

2013-12-01

Full Text Available Aromatic rice is loved for its distinctive aroma when cooking and eating.In this research,aromatic normal-embryo rice and non-aromatic giant-embryo rice,"Shangshida No.5",both bred by our laboratory,were selected as the parents for the hybridization.We used conventional breeding techniques as well as fragrance gene marker-assisted selection to derive new aromatic giant-embryo rice "Shangshida No.8".By comparing the agronomic and yield characters of "Shangshida No.5" and "Shangshida No.8",the average of filled grains per panicle of "Shangshida No.5" exceeds "Shangshida No.8" very significantly,while the average of effective panicles of "Shangshida No.8" is slightly more than "Shangshida No.5".Also,in the weight of thousand grains "Shangshida No.8" is slightly heavier than "Shangshida No.5".Thus,their grain weights per plant are close,29.10 g and 28.92 g respectively.By comparing the traits of rice embryo,there is no significant difference in embryo weight and volume.Also,there is no significant difference in weight ratio and volume ratio of embryo.This research has laid a solid foundation for further market development and application of aromatic giant-embryo rice.

Aromatic Amino Acids-Guanidinium Complexes through Cation-π Interactions

Directory of Open Access Journals (Sweden)

Cristina Trujillo

2015-05-01

Full Text Available Continuing with our interest in the guanidinium group and the different interactions than can establish, we have carried out a theoretical study of the complexes formed by this cation and the aromatic amino acids (phenylalanine, histidine, tryptophan and tyrosine using DFT methods and PCM-water solvation. Both hydrogen bonds and cation-π interactions have been found upon complexation. These interactions have been characterized by means of the analysis of the molecular electron density using the Atoms-in-Molecules approach as well as the orbital interactions using the Natural Bond Orbital methodology. Finally, the effect that the cation-π and hydrogen bond interactions exert on the aromaticity of the corresponding amino acids has been evaluated by calculating the theoretical NICS values, finding that the aromatic character was not heavily modified upon complexation.

Computer Simulations Reveal Multiple Functions for Aromatic Residues in Cellulase Enzymes (Fact Sheet)

Energy Technology Data Exchange (ETDEWEB)

2012-07-01

NREL researchers use high-performance computing to demonstrate fundamental roles of aromatic residues in cellulase enzyme tunnels. National Renewable Energy Laboratory (NREL) computer simulations of a key industrial enzyme, the Trichoderma reesei Family 6 cellulase (Cel6A), predict that aromatic residues near the enzyme's active site and at the entrance and exit tunnel perform different functions in substrate binding and catalysis, depending on their location in the enzyme. These results suggest that nature employs aromatic-carbohydrate interactions with a wide variety of binding affinities for diverse functions. Outcomes also suggest that protein engineering strategies in which mutations are made around the binding sites may require tailoring specific to the enzyme family. Cellulase enzymes ubiquitously exhibit tunnels or clefts lined with aromatic residues for processing carbohydrate polymers to monomers, but the molecular-level role of these aromatic residues remains unknown. In silico mutation of the aromatic residues near the catalytic site of Cel6A has little impact on the binding affinity, but simulation suggests that these residues play a major role in the glucopyranose ring distortion necessary for cleaving glycosidic bonds to produce fermentable sugars. Removal of aromatic residues at the entrance and exit of the cellulase tunnel, however, dramatically impacts the binding affinity. This suggests that these residues play a role in acquiring cellulose chains from the cellulose crystal and stabilizing the reaction product, respectively. These results illustrate that the role of aromatic-carbohydrate interactions varies dramatically depending on the position in the enzyme tunnel. As aromatic-carbohydrate interactions are present in all carbohydrate-active enzymes, the results have implications for understanding protein structure-function relationships in carbohydrate metabolism and recognition, carbon turnover in nature, and protein engineering

Mobility Effect on Poroelastic Seismic Signatures in Partially Saturated Rocks With Applications in Time-Lapse Monitoring of a Heavy Oil Reservoir

Science.gov (United States)

Zhao, Luanxiao; Yuan, Hemin; Yang, Jingkang; Han, De-hua; Geng, Jianhua; Zhou, Rui; Li, Hui; Yao, Qiuliang

2017-11-01

Conventional seismic analysis in partially saturated rocks normally lays emphasis on estimating pore fluid content and saturation, typically ignoring the effect of mobility, which decides the ability of fluids moving in the porous rocks. Deformation resulting from a seismic wave in heterogeneous partially saturated media can cause pore fluid pressure relaxation at mesoscopic scale, thereby making the fluid mobility inherently associated with poroelastic reflectivity. For two typical gas-brine reservoir models, with the given rock and fluid properties, the numerical analysis suggests that variations of patchy fluid saturation, fluid compressibility contrast, and acoustic stiffness of rock frame collectively affect the seismic reflection dependence on mobility. In particular, the realistic compressibility contrast of fluid patches in shallow and deep reservoir environments plays an important role in determining the reflection sensitivity to mobility. We also use a time-lapse seismic data set from a Steam-Assisted Gravity Drainage producing heavy oil reservoir to demonstrate that mobility change coupled with patchy saturation possibly leads to seismic spectral energy shifting from the baseline to monitor line. Our workflow starts from performing seismic spectral analysis on the targeted reflectivity interface. Then, on the basis of mesoscopic fluid pressure diffusion between patches of steam and heavy oil, poroelastic reflectivity modeling is conducted to understand the shift of the central frequency toward low frequencies after the steam injection. The presented results open the possibility of monitoring mobility change of a partially saturated geological formation from dissipation-related seismic attributes.

Accelerated simulations of aromatic polymers: application to polyether ether ketone (PEEK)

Science.gov (United States)

Broadbent, Richard J.; Spencer, James S.; Mostofi, Arash A.; Sutton, Adrian P.

2014-10-01

For aromatic polymers, the out-of-plane oscillations of aromatic groups limit the maximum accessible time step in a molecular dynamics simulation. We present a systematic approach to removing such high-frequency oscillations from planar groups along aromatic polymer backbones, while preserving the dynamical properties of the system. We consider, as an example, the industrially important polymer, polyether ether ketone (PEEK), and show that this coarse graining technique maintains excellent agreement with the fully flexible all-atom and all-atom rigid bond models whilst allowing the time step to increase fivefold to 5 fs.

Simulation of the saturation process of a radwaste storage cell

International Nuclear Information System (INIS)

Robbe, M.F.; Clouard, A.

2001-01-01

This paper presents a simulation of the saturation of the barrier and the plug of a storage cell by the surrounding host rock. Generally speaking, the unsaturated barrier and plug start saturating immediately in the vicinity of the quasi-saturated host rock. Then the saturation front propagates towards the canisters and the symmetry axis. Apart from the part in contact with the plug, the barrier is saturated at about 30 years. The part of the barrier near the plug is saturated around 80 years. If the top of the plug is saturated very soon, the part in the corner near the gallery and the symmetry axis is not completely saturated after 100 years. In the site, we observe a small desaturation during the first month, at the limit with the plug and the barrier, and especially in the corner limited by both FoCa clay pieces. This transient phenomenon may be assigned to the time difference between the immediate suction of water by the unsaturated materials and the delayed water flows coming from the saturated host rock to compensate the water suction. The purpose of this computation was at once to estimate the time necessary for the saturation of the clay layers surrounding the radwaste canisters and to evaluate the hydro-mechanical behaviour of the storage cell during the saturation process. Therefore a mechanical simulation was performed using the present hydraulic results to initiate the mechanical computation. (authors)

Biodegradation Rates of Aromatic Contaminants in Biofilm Reactors

DEFF Research Database (Denmark)

Arcangeli, Jean-Pierre; Arvin, Erik

1995-01-01

This study has shown that microorganisms can adapt to degrade mixtures of aromatic pollutants at relatively high rates in the μg/l concentration range. The biodegradation rates of the following compounds were investigated in biofilm systems: aromatic hydrocarbons, phenol, methylphenols......-reducing conditions, toluene was easily biodegraded. The xylenes and ethylbenzene were degraded cometabolically if toluene was used as a primary carbon source; their removal was influenced by competitive inhibition with toluene. These interaction phenomena are discussed in this paper and a kinetic model taking...

Zirconacyclopentadiene-annulated polycyclic aromatic hydrocarbons

International Nuclear Information System (INIS)

Kiel, Gavin R.; Ziegler, Micah S.; Tilley, T. Don

2017-01-01

Syntheses of large polycyclic aromatic hydrocarbons (PAHs) and graphene nanostructures demand methods that are capable of selectively and efficiently fusing large numbers of aromatic rings, yet such methods remain scarce. Herein, we report a new approach that is based on the quantitative intramolecular reductive cyclization of an oligo(diyne) with a low-valent zirconocene reagent, which gives a PAH with one or more annulated zirconacyclopentadienes (ZrPAHs). The efficiency of this process is demonstrated by a high-yielding fivefold intramolecular coupling to form a helical ZrPAH with 16 fused rings (from a precursor with no fused rings). Several other PAH topologies are also reported. Protodemetalation of the ZrPAHs allowed full characterization (including by X-ray crystallography) of PAHs containing one or more appended dienes with the ortho-quinodimethane (o-QDM) structure, which are usually too reactive for isolation and are potentially valuable for the fusion of additional rings by Diels-Alder reactions. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

Zirconacyclopentadiene-annulated polycyclic aromatic hydrocarbons

Energy Technology Data Exchange (ETDEWEB)

Kiel, Gavin R.; Ziegler, Micah S.; Tilley, T. Don [Department of Chemistry, University of California, Berkeley, CA (United States)

2017-04-18

Syntheses of large polycyclic aromatic hydrocarbons (PAHs) and graphene nanostructures demand methods that are capable of selectively and efficiently fusing large numbers of aromatic rings, yet such methods remain scarce. Herein, we report a new approach that is based on the quantitative intramolecular reductive cyclization of an oligo(diyne) with a low-valent zirconocene reagent, which gives a PAH with one or more annulated zirconacyclopentadienes (ZrPAHs). The efficiency of this process is demonstrated by a high-yielding fivefold intramolecular coupling to form a helical ZrPAH with 16 fused rings (from a precursor with no fused rings). Several other PAH topologies are also reported. Protodemetalation of the ZrPAHs allowed full characterization (including by X-ray crystallography) of PAHs containing one or more appended dienes with the ortho-quinodimethane (o-QDM) structure, which are usually too reactive for isolation and are potentially valuable for the fusion of additional rings by Diels-Alder reactions. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

Birds and polycyclic aromatic hydrocarbons

Science.gov (United States)

Albers, P.H.

2006-01-01

Polycyclic aromatic hydrocarbons (PAH) are present throughout the global environment and are produced naturally and by activities of humans. Effects of PAH on birds have been determined by studies employing egg injection, egg immersion, egg shell application, single and multiple oral doses, subcutaneous injection, and chemical analysis of field-collected eggs and tissue. The four-to six-ring aromatic compounds are the most toxic to embryos, young birds, and adult birds. For embryos, effects include death, developmental abnormalities, and a variety of cellular and biochemical responses. For adult and young birds, effects include reduced egg production and hatching, increased clutch or brood abandonment, reduced growth, increased organweights, and a variety of biochemical responses. Trophic level accumulation is unlikely. Environmental exposure to PAH in areas of high human population or habitats affected by recent petroleum spills might be sufficient to adversely affect reproduction. Evidence of long-term effects of elevated concentrations of environmental PAH on bird populations is very limited and the mechanisms of effect are unclear.

Production of aromatics from di- and polyoxygenates

Energy Technology Data Exchange (ETDEWEB)

Beck, Taylor; Blank, Brian; Jones, Casey; Woods, Elizabeth; Cortright, Randy

2017-07-04

Methods, catalysts, and reactor systems for producing in high yield aromatic chemicals and liquid fuels from a mixture of oxygenates comprising di- and polyoxygenates are disclosed. Also disclosed are methods, catalysts, and reactor systems for producing aromatic chemicals and liquid fuels from oxygenated hydrocarbons such as carbohydrates, sugars, sugar alcohols, sugar degradation products, and the like; and methods, catalysts, and reactor systems for producing the mixture of oxygenates from oxygenated hydrocarbons such as carbohydrates, sugars, sugar alcohols, sugar degradation products, and the like. The disclosed catalysts for preparing the mixture of oxygenates comprise a Ni.sub.nSn.sub.m alloy and a crystalline alumina support.

Redox shuttles having an aromatic ring fused to a 1,1,4,4-tetrasubstituted cyclohexane ring

Science.gov (United States)

Weng, Wei; Zhang, Zhengcheng; Amine, Khalil

2015-12-01

An electrolyte includes an alkali metal salt; an aprotic solvent; and a redox shuttle additive including an aromatic compound having at least one aromatic ring fused with at least one non-aromatic ring, the aromatic ring having two or more oxygen or phosphorus-containing substituents.

Aromaticity of benzene in condensed phases. A case of a benzene-water system

Science.gov (United States)

Zborowski, Krzysztof K.

2014-05-01

A theoretical Density Functional Theory study was performed for a benzene molecule in water cages. Two DFT functionals (B3LYP and BLYP) were employed. The optimized geometries of the studied clusters were used to calculate the aromaticity of benzene in a condensed phase using the aromaticity indices: HOMA, NICS, PDI, and H. The results were compared with aromaticity of a single benzene molecule in the gas phase and in the solvent environment provided by the PCM continuum model. It is argued that high aromaticity of benzene in the gas phase is retained in the water environment.

Experimental and Theoretical Investigation of the Aromatic-Aromatic Interaction in Isolated Capped Dipeptides

Czech Academy of Sciences Publication Activity Database

Gloaguen, E.; Valdés, H.; Pagliarulo, F.; Pollet, R.; Tardivel, B.; Hobza, Pavel; Piuzzi, F.; Mons, M.

2010-01-01

Roč. 114, č. 9 (2010), s. 2973-2982 ISSN 1089-5639 R&D Projects: GA MŠk LC512 Institutional research plan: CEZ:AV0Z40550506 Keywords : aromatic residues interactions * Ac-Phe-Phe-NH2 dipeptides * Ac-Phe-D-Phe-NH2 dipeptides * correlated ab initio calculations Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.732, year: 2010

Adsorption and Oxidation of Aromatic Amines on Metal(II Hexacyanocobaltate(III Complexes: Implication for Oligomerization of Exotic Aromatic Compounds

Directory of Open Access Journals (Sweden)

Rachana Sharma

2017-03-01

Full Text Available Based on the hypothesis on the presence of double metal cyanides in the primordial oceans, a series of nano-sized metal(II hexacyanocobaltate(III (MHCCo with the general formula: M3[Co(CN6]2•xH2O (where M = Zn, Fe, Ni and Mn has been synthesized. Surface interaction of aromatic amines, namely aniline, 4-chloroaniline, 4-methylaniline and 4-methoxyaniline with MHCCo particles has been carried out at the concentration range of 100–400 μM at pH~7.0. The percentage binding of aromatic amines on MHCCo surface was found to be in the range of 84%–44%. The trend in adsorption was in accordance to the relative basicity of the studied amines. At the experimental pH, amines reacted rapidly with the surface of the iron(II hexacyanocobaltate, producing colored products that were analyzed by Gas Chromatography Mass Spectroscopy (GC-MS. GC-MS analysis of the colored products demonstrated the formation of dimers of the studied aromatic amines. Surface interaction of aromatic amines with MHCCo was studied by Fourier Transform Infrared (FT-IR spectroscopy and Field Emission Scanning Electron Microscopy (FE-SEM. The change in amine characteristic frequencies, as observed by FT-IR, suggests that interaction took place through the NH2 group on amines with metal ions of hexacyanocobaltate complexes. FE-SEM studies revealed the adherence of 4-methoxyaniline on zinc hexacyanocobaltate particles surface. We proposed that MHCCo might have been formed under the conditions on primitive Earth and may be regarded as an important candidate for concentrating organic molecules through the adsorption process.

Radioluminescence of aromatic molecule solutions in atactic and isotactic polystyrene

International Nuclear Information System (INIS)

Lisovskaya, I.A.; Alfimov, M.V.; Milinchuk, V.K.; Skvortsov, V.G.

1975-01-01

The generation of excited states of naphthalene-d 8 and carbazole molecules in polystyrene (PS) under X-ray illumination was investigated using luminescence method. A comparison of the concentration dependences of radioluminescence of the aromatic additives to solid PS and to toluene as well as the pattern of concentration versus photoluminescence of naphthalene-d 8 in PS demonstrates that unlike toluene there is no singlet-triplet conversion in PS owing to the formation of excimers. It is shown that the excited ststes of the aromatic additives in PS are populated under radiolysis via an energy transfer from singlet to triplet molecules of the matrix. Under the radiolysis the excited states of PS molecules may generate upon charge recombination. A comparison of radio luminescence spectra of the corresponding aromatic additives in two isomeric PS structures (atacting and isotactic) shows different processes with charge participation. The difference detected in the radioluminescence spectra of aromatic additives in the atactic and isotactic PS explained by the greater number of defects in atactic PS competing with the polymer molecule ion for charge capture

Elastoplastic model for unsaturated, quasi-saturated and fully saturated fine soils

Directory of Open Access Journals (Sweden)

Lai Ba Tien

2016-01-01

Full Text Available In unsaturated soils, the gaseous phase is commonly assumed to be continuous. This assumption is no more valid at high saturation ratio. In that case, air bubbles and pockets can be trapped in the porous network by the liquid phase and the gas phase becomes discontinuous. This trapped air reduces the apparent compressibility of the pore fluid and affect the mechanical behavior of the soil. Although it is trapped in the pores, its dissolution can take place. Dissolved air can migrate through the pore space, either by following the flow of the fluid or by diffusion. In this context, this paper present a hydro mechanical model that separately considers the kinematics and the mechanical behavior of each fluid species (eg liquid water, dissolved air, gaseous air and the solid matrix. This new model was implemented in a C++ code. Some numerical simulations are performed to demonstrate the ability of this model to reproduce a continuous transition of unsaturated to saturated states.

Tuning aromaticity in trigonal alkaline earth metal clusters and their alkali metal salts.

Science.gov (United States)

Jiménez-Halla, J Oscar C; Matito, Eduard; Blancafort, Lluís; Robles, Juvencio; Solà, Miquel

2009-12-01

In this work, we analyze the geometry and electronic structure of the [X(n)M(3)](n-2) species (M = Be, Mg, and Ca; X = Li, Na, and K; n = 0, 1, and 2), with special emphasis on the electron delocalization properties and aromaticity of the cyclo-[M(3)](2-) unit. The cyclo-[M(3)](2-) ring is held together through a three-center two-electron bond of sigma-character. Interestingly, the interaction of these small clusters with alkali metals stabilizes the cyclo-[M(3)](2-) ring and leads to a change from sigma-aromaticity in the bound state of the cyclo-[M(3)](2-) to pi-aromaticity in the XM(3) (-) and X(2)M(3) metallic clusters. Our results also show that the aromaticity of the cyclo-[M(3)](2-) unit in the X(2)M(3) metallic clusters depends on the nature of X and M. Moreover, we explored the possibility for tuning the aromaticity by simply moving X perpendicularly to the center of the M(3) ring. The Na(2)Mg(3), Li(2)Mg(3), and X(2)Ca(3) clusters undergo drastic aromaticity alterations when changing the distance from X to the center of the M(3) ring, whereas X(2)Be(3) and K(2)Mg(3) keep its aromaticity relatively constant along this process. (c) 2009 Wiley Periodicals, Inc.

Prediction of environmental parameters of polycyclic aromatic hydrocarbons with COSMO-RS

NARCIS (Netherlands)

Schröder, B.; Santos, L.M.N.B.F.; Alves da Rocha, M.A.; Oliveira, M.B.; Marrucho, I.M.; Coutinho, J.A.P.

2010-01-01

The methodology for the prediction of properties of environmental relevance of polycyclic aromatic hydrocarbons based on the conductor-like screening model for real solvents (COSMO-RS/COSMOtherm) is presented and evaluated, with a special focus on the aqueous solubility of polycyclic aromatic

The effects of polycyclic aromatic hydrocarbons on the immune system of fish: A review

International Nuclear Information System (INIS)

Reynaud, S.; Deschaux, P.

2006-01-01

Polycyclic aromatic hydrocarbons are an important class of environmental pollutants that are known to be carcinogenic and immunotoxic. This review summarizes the diverse literature on the effects of these pollutants on innate and acquired immunity in fish and the mechanism of PAH-induced immunotoxicity. Among innate immune parameters, many authors have focused on macrophage activities in fish exposed to polycyclic aromatic hydrocarbons. Macrophage respiratory burst appears especially sensitive to polycyclic aromatic hydrocarbons. Among acquired immune parameters, lymphocyte proliferation appears highly sensitive to polycyclic aromatic hydrocarbon exposure. However, the effects of polycyclic aromatic hydrocarbons on both specific and non-specific immunity are contradictory and depend on the mode of exposure, the dose used or the species studied. In contrast to mammals, fewer studies have been done in fish to determine the mechanism of polycyclic aromatic hydrocarbon-induced toxicity. This phenomenon seems to implicate different intracellular mechanisms such as metabolism by cytochrome P4501A, binding to the Ah-receptor, or increased intracellular calcium. Advances in basic knowledge of fish immunity should lead to improvements in monitoring fish health and predicting the impact of polycyclic aromatic hydrocarbons on fish populations, which is a fundamental ecotoxicological goal

The effects of polycyclic aromatic hydrocarbons on the immune system of fish: A review

Energy Technology Data Exchange (ETDEWEB)

Reynaud, S. [Laboratoire d' Ecologie Alpine. UMR CNRS 5553. Universite Joseph Fourier. BP 53. 38041 Grenoble cedex 9 (France) and Laboratory of General and Comparative Immunophysiology, Science Teaching and Research Unit, 123, av. Albert Thomas, 87060 Limoges (France)]. E-mail: stephane.reynaud@ujf-grenoble.fr; Deschaux, P. [Laboratory of General and Comparative Immunophysiology, Science Teaching and Research Unit, 123, av. Albert Thomas, 87060 Limoges (France)

2006-05-01

Polycyclic aromatic hydrocarbons are an important class of environmental pollutants that are known to be carcinogenic and immunotoxic. This review summarizes the diverse literature on the effects of these pollutants on innate and acquired immunity in fish and the mechanism of PAH-induced immunotoxicity. Among innate immune parameters, many authors have focused on macrophage activities in fish exposed to polycyclic aromatic hydrocarbons. Macrophage respiratory burst appears especially sensitive to polycyclic aromatic hydrocarbons. Among acquired immune parameters, lymphocyte proliferation appears highly sensitive to polycyclic aromatic hydrocarbon exposure. However, the effects of polycyclic aromatic hydrocarbons on both specific and non-specific immunity are contradictory and depend on the mode of exposure, the dose used or the species studied. In contrast to mammals, fewer studies have been done in fish to determine the mechanism of polycyclic aromatic hydrocarbon-induced toxicity. This phenomenon seems to implicate different intracellular mechanisms such as metabolism by cytochrome P4501A, binding to the Ah-receptor, or increased intracellular calcium. Advances in basic knowledge of fish immunity should lead to improvements in monitoring fish health and predicting the impact of polycyclic aromatic hydrocarbons on fish populations, which is a fundamental ecotoxicological goal.

Saturation Detection-Based Blocking Scheme for Transformer Differential Protection

Directory of Open Access Journals (Sweden)

Byung Eun Lee

2014-07-01

Full Text Available This paper describes a current differential relay for transformer protection that operates in conjunction with a core saturation detection-based blocking algorithm. The differential current for the magnetic inrush or over-excitation has a point of inflection at the start and end of each saturation period of the transformer core. At these instants, discontinuities arise in the first-difference function of the differential current. The second- and third-difference functions convert the points of inflection into pulses, the magnitudes of which are large enough to detect core saturation. The blocking signal is activated if the third-difference of the differential current is larger than the threshold and is maintained for one cycle. In addition, a method to discriminate between transformer saturation and current transformer (CT saturation is included. The performance of the proposed blocking scheme was compared with that of a conventional harmonic blocking method. The test results indicate that the proposed scheme successfully discriminates internal faults even with CT saturation from the magnetic inrush, over-excitation, and external faults with CT saturation, and can significantly reduce the operating time delay of the relay.

Impact of using fishing boat fuel with high poly aromatic content on the emission of polycyclic aromatic hydrocarbons from the diesel engine

Science.gov (United States)

Lin, Yuan-Chung; Lee, Wen-Jhy; Li, Hsing-Wang; Chen, Chung-Ban; Fang, Guor-Cheng; Tsai, Perng-Jy

Because of the fishery subsidy policy, the fishing boat fuel oil (FBFO) exemption from commodity taxes, business taxes and air pollution control fees, resulted in the price of FBFO was ˜50% lower than premium diesel fuel (PDF) in Taiwan. It is estimated that ˜650,000 kL FBFO was illegally used by traveling diesel-vehicles (TDVs) with a heavy-duty diesel engine (HDDE), which accounted for ˜16.3% of the total diesel fuel consumed by TDVs. In this study, sulfur, poly aromatic and total-aromatic contents in both FBFO and PDF were measured and compared. Exhaust emissions of polycyclic aromatic hydrocarbons (PAHs) and their carcinogenic potencies (BaP eq) from a HDDE under transient cycle testing for both FBFO and PDF were compared and discussed. Finally, the impact caused by the illegal use of FBFO on the air quality was examined. Results show that the mean sulfur-, poly aromatic and aromatic-contents in FBFO were 43.0, 3.89 and 1.04 times higher than that of PDF, respectively. Emission factors of total-PAHs and total-BaP eq obtained by utilizing FBFO were 51.5 and 0.235 mg L -1-Fuel, which were 3.41 and 5.82 times in magnitude higher than obtained by PDF, respectively. The estimated annual emissions of total-PAHs and total-BaP eq to the ambient environment due to the illegally used FBFO were 23.6 and 0.126 metric tons, respectively, which resulted in a 17.9% and a 25.0% increment of annual emissions from all mobile sources, respectively. These results indicated that the FBFO used illegally by TDVs had a significant impact on PAH emissions to the ambient environment.

Physicochemical Mechanisms of Synergistic Biological Action of Combinations of Aromatic Heterocyclic Compounds

OpenAIRE

Evstigneev, Maxim P.

2013-01-01

The mechanisms of synergistic biological effects observed in the simultaneous use of aromatic heterocyclic compounds in combination are reviewed, and the specific biological role of heteroassociation of aromatic molecules is discussed.

Criteria for saturated magnetization loop

International Nuclear Information System (INIS)

Harres, A.; Mikhov, M.; Skumryev, V.; Andrade, A.M.H. de; Schmidt, J.E.; Geshev, J.

2016-01-01

Proper estimation of magnetization curve parameters is vital in studying magnetic systems. In the present article, criteria for discrimination non-saturated (minor) from saturated (major) hysteresis loops are proposed. These employ the analysis of (i) derivatives of both ascending and descending branches of the loop, (ii) remanent magnetization curves, and (iii) thermomagnetic curves. Computational simulations are used in order to demonstrate their validity. Examples illustrating the applicability of these criteria to well-known real systems, namely Fe_3O_4 and Ni fine particles, are provided. We demonstrate that the anisotropy-field value estimated from a visual examination of an only apparently major hysteresis loop could be more than two times lower than the real one. - Highlights: • Proper estimation of hysteresis-loop parameters is vital in magnetic studies. • We propose criteria for discrimination minor from major hysteresis loops. • The criteria analyze magnetization, remanence and ZFC/FC curves and/or their derivatives. • Examples of their application on real nanoparticles systems are given. • Using the criteria could avoid twofold or bigger saturation-field underestimation errors.

Criteria for saturated magnetization loop

Energy Technology Data Exchange (ETDEWEB)

Harres, A. [Departamento de Física, UFSM, Santa Maria, 97105-900 Rio Grande do Sul (Brazil); Mikhov, M. [Faculty of Physics, University of Sofia, 1164 Sofia (Bulgaria); Skumryev, V. [Institució Catalana de Recerca i Estudis Avançats, 08010 Barcelona (Spain); Departament de Física, Universitat Autònoma de Barcelona, 08193 Barcelona (Spain); Andrade, A.M.H. de; Schmidt, J.E. [Instituto de Física, UFRGS, Porto Alegre, 91501-970 Rio Grande do Sul (Brazil); Geshev, J., E-mail: julian@if.ufrgs.br [Departament de Física, Universitat Autònoma de Barcelona, 08193 Barcelona (Spain); Instituto de Física, UFRGS, Porto Alegre, 91501-970 Rio Grande do Sul (Brazil)

2016-03-15

Proper estimation of magnetization curve parameters is vital in studying magnetic systems. In the present article, criteria for discrimination non-saturated (minor) from saturated (major) hysteresis loops are proposed. These employ the analysis of (i) derivatives of both ascending and descending branches of the loop, (ii) remanent magnetization curves, and (iii) thermomagnetic curves. Computational simulations are used in order to demonstrate their validity. Examples illustrating the applicability of these criteria to well-known real systems, namely Fe{sub 3}O{sub 4} and Ni fine particles, are provided. We demonstrate that the anisotropy-field value estimated from a visual examination of an only apparently major hysteresis loop could be more than two times lower than the real one. - Highlights: • Proper estimation of hysteresis-loop parameters is vital in magnetic studies. • We propose criteria for discrimination minor from major hysteresis loops. • The criteria analyze magnetization, remanence and ZFC/FC curves and/or their derivatives. • Examples of their application on real nanoparticles systems are given. • Using the criteria could avoid twofold or bigger saturation-field underestimation errors.

Irradiated aromatic polysulphones of increased flow resistance and molecular weight

International Nuclear Information System (INIS)

Staniland, P.A.; Jarrett, W.G.

1976-01-01

Aromatic polymers of increased resistance to flow and molecular weight are obtained by irradiation using β-rays or γ-rays at temperatures up to 400 0 C of an aromatic polymer whose molecular chains comprise benzenoid groups and bivalent linking groups, and where irradiation is γ-rays by heating subsequent to irradiation at 200 to 400 0 C

Unleaded gasoline with reduction in benzene and aromatics

International Nuclear Information System (INIS)

Ahmed, I.

2003-01-01

The trend today is towards making gasoline more environment and human friendly or in other words making gasoline a really clean fuel. This paper covers the ill effects of benzene and aromatics and the driving force behind their reduction in gasoline worldwide. It addresses health concerns specifically, and the theme is unleaded gasoline without simultaneously addressing reduction in benzene and aromatics is more harmful. The paper cites worldwide case studies, and also the World Bank (WB), Government of Pakistan (GoP), and United Nations (UN) efforts in this area in Pakistan. (author)

PRO-QUEST: a rapid assessment method based on progressive saturation for quantifying exchange rates using saturation times in CEST.

Science.gov (United States)

Demetriou, Eleni; Tachrount, Mohamed; Zaiss, Moritz; Shmueli, Karin; Golay, Xavier

2018-03-05

To develop a new MRI technique to rapidly measure exchange rates in CEST MRI. A novel pulse sequence for measuring chemical exchange rates through a progressive saturation recovery process, called PRO-QUEST (progressive saturation for quantifying exchange rates using saturation times), has been developed. Using this method, the water magnetization is sampled under non-steady-state conditions, and off-resonance saturation is interleaved with the acquisition of images obtained through a Look-Locker type of acquisition. A complete theoretical framework has been set up, and simple equations to obtain the exchange rates have been derived. A reduction of scan time from 58 to 16 minutes has been obtained using PRO-QUEST versus the standard QUEST. Maps of both T 1 of water and B 1 can simply be obtained by repetition of the sequence without off-resonance saturation pulses. Simulations and calculated exchange rates from experimental data using amino acids such as glutamate, glutamine, taurine, and alanine were compared and found to be in good agreement. The PRO-QUEST sequence was also applied on healthy and infarcted rats after 24 hours, and revealed that imaging specificity to ischemic acidification during stroke was substantially increased relative to standard amide proton transfer-weighted imaging. Because of the reduced scan time and insensitivity to nonchemical exchange factors such as direct water saturation, PRO-QUEST can serve as an excellent alternative for researchers and clinicians interested to map pH changes in vivo. © 2018 International Society for Magnetic Resonance in Medicine.

Recent Advances in Ring-Opening Functionalization of Cycloalkanols by C-C σ-Bond Cleavage.

Science.gov (United States)

Wu, Xinxin; Zhu, Chen

2018-06-01

Cycloalkanols prove to be privileged precursors for the synthesis of distally substituted alkyl ketones and polycyclic aromatic hydrocarbons (PAHs) by virtue of cleavage of their cyclic C-C bonds. Direct functionalization of cyclobutanols to build up other chemical bonds (e. g., C-F, C-Cl, C-Br, C-N, C-S, C-Se, C-C, etc.) has been achieved by using the ring-opening strategy. Mechanistically, the C-C cleavage of cyclobutanols can be involved in two pathways: (a) transition-metal catalyzed β-carbon elimination; (b) radical-mediated 'radical clock'-type ring opening. The recent advances of our group for the ring-opening functionalization of tertiary cycloalkanols are described in this account. © 2018 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Analysis of an SEIR Epidemic Model with Saturated Incidence and Saturated Treatment Function

Directory of Open Access Journals (Sweden)

Jinhong Zhang

2014-01-01

Full Text Available The dynamics of SEIR epidemic model with saturated incidence rate and saturated treatment function are explored in this paper. The basic reproduction number that determines disease extinction and disease survival is given. The existing threshold conditions of all kinds of the equilibrium points are obtained. Sufficient conditions are established for the existence of backward bifurcation. The local asymptotical stability of equilibrium is verified by analyzing the eigenvalues and using the Routh-Hurwitz criterion. We also discuss the global asymptotical stability of the endemic equilibrium by autonomous convergence theorem. The study indicates that we should improve the efficiency and enlarge the capacity of the treatment to control the spread of disease. Numerical simulations are presented to support and complement the theoretical findings.

Saturation of the turbulent dynamo.

Science.gov (United States)

Schober, J; Schleicher, D R G; Federrath, C; Bovino, S; Klessen, R S

2015-08-01

The origin of strong magnetic fields in the Universe can be explained by amplifying weak seed fields via turbulent motions on small spatial scales and subsequently transporting the magnetic energy to larger scales. This process is known as the turbulent dynamo and depends on the properties of turbulence, i.e., on the hydrodynamical Reynolds number and the compressibility of the gas, and on the magnetic diffusivity. While we know the growth rate of the magnetic energy in the linear regime, the saturation level, i.e., the ratio of magnetic energy to turbulent kinetic energy that can be reached, is not known from analytical calculations. In this paper we present a scale-dependent saturation model based on an effective turbulent resistivity which is determined by the turnover time scale of turbulent eddies and the magnetic energy density. The magnetic resistivity increases compared to the Spitzer value and the effective scale on which the magnetic energy spectrum is at its maximum moves to larger spatial scales. This process ends when the peak reaches a characteristic wave number k☆ which is determined by the critical magnetic Reynolds number. The saturation level of the dynamo also depends on the type of turbulence and differs for the limits of large and small magnetic Prandtl numbers Pm. With our model we find saturation levels between 43.8% and 1.3% for Pm≫1 and between 2.43% and 0.135% for Pm≪1, where the higher values refer to incompressible turbulence and the lower ones to highly compressible turbulence.

Pool boiling visualization on open microchannel surfaces

Directory of Open Access Journals (Sweden)

Kaniowski Robert

2017-01-01

Full Text Available The paper presents visualization investigations into pool boiling heat transfer for open minichannel surfaces. The experiments were carried out wih saturated water at atmospheric pressure. Parallel microchannels fabricated by machining were about 0.3 mm wide and 0.2 to 0.4 mm deep. High-speed videos were used as an aid to understanding the heat transfer mechanism. The visualization study aimed at identifying nucleation sites of the departing bubbles and determining their diameters and frequency at various superheats.

Use of graphite layer open tubular (GLOT) in environmental analysis; Impiego di colonne GLOT (Graphite Layer Open Tubular) nell`analisi ambientale

Energy Technology Data Exchange (ETDEWEB)

Bruner, F.; Lattanzi, L. [Urbino Univ. (Italy). Istituto di Scienze Chimiche, Centro di Studio per la Chimica e le Tecnologie Strumentali Avanzate; Borghesi, P. [Centro Ricerca e Sviluppo, Enichem Elastomeri, Ravenna (Italy)

1996-06-01

Recently it has been developed a series of new capillary columns characterised by the use of graphitized carbon black modified from different amount of liquid phase. The characteristics of these columns, called graphite layer open tubular (GLOT), are described together with their application to the environmental analysis. A specific application of GLOT columns is for the direct analysis of aqueous solutions avoiding solvent extraction procedure. A comparison between a GLOT column and a traditional capillary column, estimating their behaviour after repeated direct injections of aqueous solution sample is written. Some applications regarding the analysis of the atmosphere pollutants, as aliphatic and aromatic hydrocarbons, and their compounds are written too.

Adsorption of polar, nonpolar, and substituted aromatics to colloidal graphene oxide nanoparticles

NARCIS (Netherlands)

Wang, Fang; Haftka, Joris J H; Sinnige, Theo L.; Hermens, Joop L M; Chen, Wei

2014-01-01

We conducted batch adsorption experiments to understand the adsorptive properties of colloidal graphene oxide nanoparticles (GONPs) for a range of environmentally relevant aromatics and substituted aromatics, including model nonpolar compounds (pyrene, phenanthrene, naphthalene, and

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.

Metal-free hydration of aromatic haloalkynes to α-halomethyl ketones

KAUST Repository

Ye, Min

2016-10-01

A highly regioselective and efficient metal-free hydration of aromatic haloalkynes to alpha-halomethyl ketones using cheap tetrafluoroboric acid as catalyst is described. The protocol is conducted under convenient conditions and affords products in good to excellent yields, with broad substrate scope, including a variety of aromatic alkynyl chlorides, alkynyl bromides, and alkynyl iodides. (C) 2016 Elsevier Ltd. All rights reserved.

Metal-free hydration of aromatic haloalkynes to α-halomethyl ketones

KAUST Repository

Ye, Min; Wen, Yuelu; Li, Huifang; Fu, Yejuan; Wang, Qinghao

2016-01-01

A highly regioselective and efficient metal-free hydration of aromatic haloalkynes to alpha-halomethyl ketones using cheap tetrafluoroboric acid as catalyst is described. The protocol is conducted under convenient conditions and affords products in good to excellent yields, with broad substrate scope, including a variety of aromatic alkynyl chlorides, alkynyl bromides, and alkynyl iodides. (C) 2016 Elsevier Ltd. All rights reserved.

On the water saturation calculation in hydrocarbon sandstone reservoirs

Energy Technology Data Exchange (ETDEWEB)

Stalheim, Stein Ottar

2002-07-01

The main goal of this work was to identify the most important uncertainty sources in water saturation calculation and examine the possibility for developing new S{sub w} - equations or possibility to develop methods to remove weaknesses and uncertainties in existing S{sub w} - equations. Due to the need for industrial applicability of the equations we aimed for results with the following properties: The accuracy in S{sub w} should increase compared with existing S{sub w} - equations. The equations should be simple to use in petrophysical evaluations. The equations should be based on conventional logs and use as few as possible input parameters. The equations should be numerical stable. This thesis includes an uncertainty and sensitivity analysis of the most common S{sub w} equations. The results are addressed in chapter 3 and were intended to find the most important uncertainty sources in water saturation calculation. To increase the knowledge of the relationship between R{sub t} and S{sub w} in hydrocarbon sandstone reservoirs and to understand how the pore geometry affects the conductivity (n and m) of the rock a theoretical study was done. It was also an aim to examine the possibility for developing new S{sub w} - equations (or investigation an effective medium model) valid inhydrocarbon sandstone reservoirs. The results are presented in paper 1. A new equation for water saturation calculation in clean sandstone oil reservoirs is addressed in paper 2. A recommendation for best practice of water saturation calculation in non water wet formation is addressed in paper 3. Finally a new equation for water saturation calculation in thinly interbedded sandstone/mudstone reservoirs is presented in paper 4. The papers are titled: 1) Is the saturation exponent n a constant. 2) A New Model for Calculating Water Saturation In 3) Influence of wettability on water saturation modeling. 4) Water Saturation Calculations in Thinly Interbedded Sandstone/mudstone Reservoirs. A

THE SEARCH FOR SUPER-SATURATION IN CHROMOSPHERIC EMISSION

International Nuclear Information System (INIS)

Christian, Damian J.; Arias, Tersi; Mathioudakis, Mihalis; Jess, David B.; Jardine, Moira

2011-01-01

We investigate if the super-saturation phenomenon observed at X-ray wavelengths for the corona exists in the chromosphere for rapidly rotating late-type stars. Moderate resolution optical spectra of fast-rotating EUV- and X-ray-selected late-type stars were obtained. Stars in α Per were observed in the northern hemisphere with the Isaac Newton 2.5 m telescope and Intermediate Dispersion Spectrograph. Selected objects from IC 2391 and IC 2602 were observed in the southern hemisphere with the Blanco 4 m telescope and R-C spectrograph at CTIO. Ca II H and K fluxes were measured for all stars in our sample. We find the saturation level for Ca II K at log (L CaK /L bol ) = -4.08. The Ca II K flux does not show a decrease as a function of increased rotational velocity or smaller Rossby number as observed in the X-ray. This lack of 'super-saturation' supports the idea of coronal stripping as the cause of saturation and super-saturation in stellar chromospheres and coronae, but the detailed underlying mechanism is still under investigation.

Side Chain Cyclized Aromatic Amino Acids

DEFF Research Database (Denmark)

Van der Poorten, Olivier; Knuhtsen, Astrid; Sejer Pedersen, Daniel

2016-01-01

Constraining the conformation of flexible peptides is a proven strategy to increase potency, selectivity, and metabolic stability. The focus has mostly been on constraining the backbone dihedral angles; however, the correct orientation of the amino acid side chains (χ-space) that constitute...... the peptide pharmacophore is equally important. Control of χ-space utilizes conformationally constrained amino acids that favor, disfavor, or exclude the gauche (-), the gauche (+), or the trans conformation. In this review we focus on cyclic aromatic amino acids in which the side chain is connected...... to the peptide backbone to provide control of χ(1)- and χ(2)-space. The manifold applications for cyclized analogues of the aromatic amino acids Phe, Tyr, Trp, and His within peptide medicinal chemistry are showcased herein with examples of enzyme inhibitors and ligands for G protein-coupled receptors....

Role of Dehalogenases in Aerobic Bacterial Degradation of Chlorinated Aromatic Compounds

Directory of Open Access Journals (Sweden)

Pankaj Kumar Arora

2014-01-01

Full Text Available This review was conducted to provide an overview of dehalogenases involved in aerobic biodegradation of chlorinated aromatic compounds. Additionally, biochemical and molecular characterization of hydrolytic, reductive, and oxygenolytic dehalogenases was reviewed. This review will increase our understanding of the process of dehalogenation of chlorinated aromatic compounds.

A Multistep Synthesis Incorporating a Green Bromination of an Aromatic Ring

Science.gov (United States)

Cardinal, Pascal; Greer, Brandon; Luong, Horace; Tyagunova, Yevgeniya

2012-01-01

Electrophilic aromatic substitution is a fundamental topic taught in the undergraduate organic chemistry curriculum. A multistep synthesis that includes a safer and greener method for the bromination of an aromatic ring than traditional bromination methods is described. This experiment is multifaceted and can be used to teach students about…

Influence of trace aromatics on the chemical growth mechanisms of Titan aerosol analogues

Science.gov (United States)

Gautier, Thomas; Sebree, Joshua A.; Li, Xiang; Pinnick, Veronica T.; Grubisic, Andrej; Loeffler, Mark J.; Getty, Stephanie A.; Trainer, Melissa G.; Brinckerhoff, William B.

2017-06-01

The chemical structure and formation pathways of Titan aerosols remain largely unknown. In this work, we studied the effect of trace aromatics on the chemical composition and formation pathways of laboratory analogues of Titan's organic aerosols. The aerosol analogues were produced using four different trace aromatic molecules, comprised of one or two aromatic rings, each with or without a nitrogen heteroatom. Samples were then analyzed by laser desorption/ionization Mass Spectrometry (LDMS), revealing a high variability in the sample composition depending on the trace aromatic used. Our work reveals that the final chemical structure of the aerosols depends strongly on the number of aromatic rings in the trace molecule, leading either to a polymeric or to a random co-polymeric growth of the sample. These different chemical structures can affect the physical properties of the aerosol. Future analysis of Titan's aerosols using better resolution could potentially determine whether either of the growth hypotheses are preferred.

Polycyclic Aromatic Hydrocarbons: A Critical Review of Environmental Occurrence and Bioremediation.

Science.gov (United States)

Alegbeleye, Oluwadara Oluwaseun; Opeolu, Beatrice Oluwatoyin; Jackson, Vanessa Angela

2017-10-01

The degree of polycyclic aromatic hydrocarbon contamination of environmental matrices has increased over the last several years due to increase in industrial activities. Interest has surrounded the occurrence and distribution of polycyclic aromatic hydrocarbons for many decades because they pose a serious threat to the health of humans and ecosystems. The importance of the need for sustainable abatement strategies to alleviate contamination therefore cannot be overemphasised, as daily human activities continue to create pollution from polycyclic aromatic hydrocarbons and impact the natural environment. Globally, attempts have been made to design treatment schemes for the remediation and restoration of contaminated sites. Several techniques and technologies have been proposed and tested over time, the majority of which have significant limitations. This has necessitated research into environmentally friendly and cost-effective clean-up techniques. Bioremediation is an appealing option that has been extensively researched and adopted as it has been proven to be relatively cost-effective, environmentally friendly and is publicly accepted. In this review, the physicochemical properties of some priority polycyclic aromatic hydrocarbons, as well as the pathways and mechanisms through which they enter the soil, river systems, drinking water, groundwater and food are succinctly examined. Their effects on human health, other living organisms, the aquatic ecosystem, as well as soil microbiota are also elucidated. The persistence and bioavailability of polycyclic aromatic hydrocarbons are discussed as well, as they are important factors that influence the rate, efficiency and overall success of remediation. Bioremediation (aerobic and anaerobic), use of biosurfactants and bioreactors, as well as the roles of biofilms in the biological treatment of polycyclic aromatic hydrocarbons are also explored.

Polycyclic Aromatic Hydrocarbons: A Critical Review of Environmental Occurrence and Bioremediation

Science.gov (United States)

Alegbeleye, Oluwadara Oluwaseun; Opeolu, Beatrice Oluwatoyin; Jackson, Vanessa Angela

2017-10-01

The degree of polycyclic aromatic hydrocarbon contamination of environmental matrices has increased over the last several years due to increase in industrial activities. Interest has surrounded the occurrence and distribution of polycyclic aromatic hydrocarbons for many decades because they pose a serious threat to the health of humans and ecosystems. The importance of the need for sustainable abatement strategies to alleviate contamination therefore cannot be overemphasised, as daily human activities continue to create pollution from polycyclic aromatic hydrocarbons and impact the natural environment. Globally, attempts have been made to design treatment schemes for the remediation and restoration of contaminated sites. Several techniques and technologies have been proposed and tested over time, the majority of which have significant limitations. This has necessitated research into environmentally friendly and cost-effective clean-up techniques. Bioremediation is an appealing option that has been extensively researched and adopted as it has been proven to be relatively cost-effective, environmentally friendly and is publicly accepted. In this review, the physicochemical properties of some priority polycyclic aromatic hydrocarbons, as well as the pathways and mechanisms through which they enter the soil, river systems, drinking water, groundwater and food are succinctly examined. Their effects on human health, other living organisms, the aquatic ecosystem, as well as soil microbiota are also elucidated. The persistence and bioavailability of polycyclic aromatic hydrocarbons are discussed as well, as they are important factors that influence the rate, efficiency and overall success of remediation. Bioremediation (aerobic and anaerobic), use of biosurfactants and bioreactors, as well as the roles of biofilms in the biological treatment of polycyclic aromatic hydrocarbons are also explored.

Magnetic field saturation in the Riga dynamo experiment.

Science.gov (United States)

Gailitis, A; Lielausis, O; Platacis, E; Dement'ev, S; Cifersons, A; Gerbeth, G; Gundrum, T; Stefani, F; Christen, M; Will, G

2001-04-02

After the dynamo experiment in November 1999 [A. Gailitis et al., Phys. Rev. Lett. 84, 4365 (2000)] had shown magnetic field self-excitation in a spiraling liquid metal flow, in a second series of experiments emphasis was placed on the magnetic field saturation regime as the next principal step in the dynamo process. The dependence of the strength of the magnetic field on the rotation rate is studied. Various features of the saturated magnetic field are outlined and possible saturation mechanisms are discussed.

The formation of quasi-alicyclic rings in alkyl-aromatic compounds

Science.gov (United States)

Straka, Pavel; Buryan, Petr; Bičáková, Olga

2018-02-01

The alkyl side chains of n-alkyl phenols, n-alkyl benzenes and n-alkyl naphthalenes are cyclised, as demonstrated by GC measurements, FTIR spectroscopy and molecular mechanics calculations. Cyclisation occurs due to the intramolecular interaction between an aromatic ring (-δ) and a hydrogen of the terminal methyl group (+δ) of an alkyl chain. In fact, conventional molecules are not aliphatic-aromatic, but quasi-alicyclic-aromatic. With the aromatic molecules formed with a quasi-alicyclic ring, the effect of van der Waals attractive forces increases not only intramolecularly but also intermolecularly. This effect is strong in molecules with propyl and higher alkyl substituents. The increase of intermolecular van der Waals attractive forces results in bi-linearity in the GC retention time of the compounds in question, observed in the dependence of the logarithm of the relative retention time on the number of carbons in a molecule in both polar and nonpolar stationary phases with both capillary and packed columns. The role of van der Waals forces has been demonstrated using the potential energies of covalent and noncovalent interactions for 2-n-alkyl phenols, n-alkyl benzenes and 1-n-alkyl- and 2-n-alkyl naphthalenes.

Manufacture of aromatic hydrocarbons from coal hydrogenation products

Energy Technology Data Exchange (ETDEWEB)

A.S. Maloletnev; M.A. Gyul' malieva [Institute for Fossil Fuels, Moscow (Russian Federation)

2007-08-15

The manufacture of aromatic hydrocarbons from coal distillates was experimentally studied. A flow chart for the production of benzene, ethylbenzene, toluene, and xylenes was designed, which comprised the hydrogen treatment of the total wide-cut (or preliminarily dephenolized) fraction with FBP 425{sup o}C; fractional distillation of the hydrotreated products into IBP-60, 60-180, 180-300, and 300-425{sup o}C fractions; the hydro-cracking of middle fractions for increasing the yield of gasoline fractions whenever necessary; the catalytic reform of the fractions with bp up to 180{sup o}C; and the extraction of aromatic hydrocarbons.

The role of meson dynamics in nuclear matter saturation

International Nuclear Information System (INIS)

Goncalves, E.

1988-01-01

The problem of the saturation of nuclea matter in the non-relativistic limit of the model proposed by J.D. Walecka is studied. In the original context nuclear matter saturation is obtained as a direct consequence of relativistic effects and both scalar and vector mesons are treated statically. In the present work we investigate the effect of the meson dynamics for the saturation using a Born-Oppenheimer approximation for the ground state. An upper limit for the saturation curve of nuclear matter and are able to decide now essential is the relativistic treatment of the nucleons for this problem, is obtained. (author) [pt

Structural and functional characterization of solute binding proteins for aromatic compounds derived from lignin: p-coumaric acid and related aromatic acids.

Science.gov (United States)

Tan, Kemin; Chang, Changsoo; Cuff, Marianne; Osipiuk, Jerzy; Landorf, Elizabeth; Mack, Jamey C; Zerbs, Sarah; Joachimiak, Andrzej; Collart, Frank R

2013-10-01

Lignin comprises 15-25% of plant biomass and represents a major environmental carbon source for utilization by soil microorganisms. Access to this energy resource requires the action of fungal and bacterial enzymes to break down the lignin polymer into a complex assortment of aromatic compounds that can be transported into the cells. To improve our understanding of the utilization of lignin by microorganisms, we characterized the molecular properties of solute binding proteins of ATP-binding cassette transporter proteins that interact with these compounds. A combination of functional screens and structural studies characterized the binding specificity of the solute binding proteins for aromatic compounds derived from lignin such as p-coumarate, 3-phenylpropionic acid and compounds with more complex ring substitutions. A ligand screen based on thermal stabilization identified several binding protein clusters that exhibit preferences based on the size or number of aromatic ring substituents. Multiple X-ray crystal structures of protein-ligand complexes for these clusters identified the molecular basis of the binding specificity for the lignin-derived aromatic compounds. The screens and structural data provide new functional assignments for these solute-binding proteins which can be used to infer their transport specificity. This knowledge of the functional roles and molecular binding specificity of these proteins will support the identification of the specific enzymes and regulatory proteins of peripheral pathways that funnel these compounds to central metabolic pathways and will improve the predictive power of sequence-based functional annotation methods for this family of proteins. Copyright © 2013 Wiley Periodicals, Inc.

Interger multiplication with overflow detection or saturation

Energy Technology Data Exchange (ETDEWEB)

Schulte, M.J.; Balzola, P.I.; Akkas, A.; Brocato, R.W.

2000-01-11

High-speed multiplication is frequently used in general-purpose and application-specific computer systems. These systems often support integer multiplication, where two n-bit integers are multiplied to produce a 2n-bit product. To prevent growth in word length, processors typically return the n least significant bits of the product and a flag that indicates whether or not overflow has occurred. Alternatively, some processors saturate results that overflow to the most positive or most negative representable number. This paper presents efficient methods for performing unsigned or two's complement integer multiplication with overflow detection or saturation. These methods have significantly less area and delay than conventional methods for integer multiplication with overflow detection and saturation.

Optimization and determination of polycyclic aromatic hydrocarbons in biochar-based fertilizers.

Science.gov (United States)

Chen, Ping; Zhou, Hui; Gan, Jay; Sun, Mingxing; Shang, Guofeng; Liu, Liang; Shen, Guoqing

2015-03-01

The agronomic benefit of biochar has attracted widespread attention to biochar-based fertilizers. However, the inevitable presence of polycyclic aromatic hydrocarbons in biochar is a matter of concern because of the health and ecological risks of these compounds. The strong adsorption of polycyclic aromatic hydrocarbons to biochar complicates their analysis and extraction from biochar-based fertilizers. In this study, we optimized and validated a method for determining the 16 priority polycyclic aromatic hydrocarbons in biochar-based fertilizers. Results showed that accelerated solvent extraction exhibited high extraction efficiency. Based on a Box-Behnken design with a triplicate central point, accelerated solvent extraction was used under the following optimal operational conditions: extraction temperature of 78°C, extraction time of 17 min, and two static cycles. The optimized method was validated by assessing the linearity of analysis, limit of detection, limit of quantification, recovery, and application to real samples. The results showed that the 16 polycyclic aromatic hydrocarbons exhibited good linearity, with a correlation coefficient of 0.996. The limits of detection varied between 0.001 (phenanthrene) and 0.021 mg/g (benzo[ghi]perylene), and the limits of quantification varied between 0.004 (phenanthrene) and 0.069 mg/g (benzo[ghi]perylene). The relative recoveries of the 16 polycyclic aromatic hydrocarbons were 70.26-102.99%. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Economical feasibility of zeolite membranes for industrial scale separations of aromatic hydrocarbons

NARCIS (Netherlands)

Meindersma, G.W.; de Haan, A.B.

2002-01-01

Naphtha cracker feedstocks contain 10–25 wt% aromatic hydrocarbons, which are not converted into the desired products ethylene and propylene. The conventional processes for the separation of aromatic and aliphatic hydrocarbons are extraction, extractive distillation and azeotropic distillation.

Aromatic metabolism of filamentous fungi in relation to the presence of aromatic compounds in plant biomass

NARCIS (Netherlands)

Mäkelä, Miia R; Marinović, Mila; Nousiainen, Paula; Liwanag, April J M; Benoit, Isabelle; Sipilä, Jussi; Hatakka, Annele; de Vries, Ronald P; Hildén, Kristiina S

2015-01-01

The biological conversion of plant lignocellulose plays an essential role not only in carbon cycling in terrestrial ecosystems but also is an important part of the production of second generation biofuels and biochemicals. The presence of the recalcitrant aromatic polymer lignin is one of the major

Retinal oxygen saturation before and after glaucoma surgery.

Science.gov (United States)

Nitta, Eri; Hirooka, Kazuyuki; Shimazaki, Takeru; Sato, Shino; Ukegawa, Kaori; Nakano, Yuki; Tsujikawa, Akitaka

2017-08-01

This study compared retinal vessel oxygen saturation before and after glaucoma surgery. Retinal oxygen saturation in glaucoma patients was measured using a non-invasive spectrophotometric retinal oximeter. Adequate image quality was found in 49 of the 108 consecutive glaucoma patients recruited, with 30 undergoing trabeculectomy, 11 EX-PRESS and eight trabeculotomy. Retinal oxygen saturation measurements in the retinal arterioles and venules were performed at 1 day prior to and at approximately 10 days after surgery. Statistical analysis was performed using a Student's t-test. After glaucoma surgery, intraocular pressure (IOP) decreased from 19.8 ± 7.7 mmHg to 9.0 ± 5.7 mmHg (p glaucoma surgery had an effect on the retinal venous oxygen saturation. © 2016 Acta Ophthalmologica Scandinavica Foundation. Published by John Wiley & Sons Ltd.

Delayed system control in presence of actuator saturation

Directory of Open Access Journals (Sweden)

A. Mahjoub

2014-09-01

Full Text Available The paper is introducing a new design method for systems’ controllers with input delay and actuator saturations and focuses on how to force the system output to track a reference input not necessarily saturation-compatible. We propose a new norm based on the way we quantify tracking performance as a function of saturation errors found using the same norm. The newly defined norm is related to signal average power making possible to account for most common reference signals e.g. step, periodic. It is formally shown that, whatever the reference shape and amplitude, the achievable tracking quality is determined by a well defined reference tracking mismatch error. This latter depends on the reference rate and its compatibility with the actuator saturation constraint. In fact, asymptotic output-reference tracking is achieved in the presence of constraint-compatible step-like references.

Supercooled liquid vapour pressures and related thermodynamic properties of polycyclic aromatic hydrocarbons determined by gas chromatography.

Science.gov (United States)

Haftka, Joris J H; Parsons, John R; Govers, Harrie A J

2006-11-24

A gas chromatographic method using Kováts retention indices has been applied to determine the liquid vapour pressure (P(i)), enthalpy of vaporization (DeltaH(i)) and difference in heat capacity between gas and liquid phase (DeltaC(i)) for a group of polycyclic aromatic hydrocarbons (PAHs). This group consists of 19 unsubstituted, methylated and sulphur containing PAHs. Differences in log P(i) of -0.04 to +0.99 log units at 298.15K were observed between experimental values and data from effusion and gas saturation studies. These differences in log P(i) have been fitted with multilinear regression resulting in a compound and temperature dependent correction. Over a temperature range from 273.15 to 423.15K, differences in corrected log P(i) of a training set (-0.07 to +0.03 log units) and a validation set (-0.17 to 0.19 log units) were within calculated error ranges. The corrected vapour pressures also showed a good agreement with other GC determined vapour pressures (average -0.09 log units).

One step processing for future diesel specifications

International Nuclear Information System (INIS)

Brierley, G.R.

1997-01-01

The trend in diesel fuel specifications is to limit the sulfur level to less than 0.05 wt- per cent. Many regions have also specified that diesel fuels must have lower aromatic levels, higher cetane numbers, and lower distillation end points. These changes will require significant refinery investment to meet the new diesel fuel specifications. The changes may also significantly affect the value of synthetic crude stocks. UOP has developed a new hydroprocessing catalyst which makes it possible to meet the new diesel specifications in one single processing step and at minimal cost. The catalyst saturates aromatics while opening ring structures at the same time. By selectively cracking heavy components into the diesel range with minimal cracking to gas or naphtha, heavier feedstocks can be upgraded to diesel, and refinery diesel yield can be augmented. Synthetic crude distillate is often high in aromatics and low in cetane number. This new UOP hydroprocessing system will allow synthetic crude producers and refiners to produce diesel fuels with higher cetane numbers, high-quality distillate blendstocks and distillate fuels. 26 figs

A two-dimensional conjugated aromatic polymer via C-C coupling reaction

Science.gov (United States)

Liu, Wei; Luo, Xin; Bao, Yang; Liu, Yan Peng; Ning, Guo-Hong; Abdelwahab, Ibrahim; Li, Linjun; Nai, Chang Tai; Hu, Zhi Gang; Zhao, Dan; Liu, Bin; Quek, Su Ying; Loh, Kian Ping

2017-06-01

The fabrication of crystalline 2D conjugated polymers with well-defined repeating units and in-built porosity presents a significant challenge to synthetic chemists. Yet they present an appealing target because of their desirable physical and electronic properties. Here we report the preparation of a 2D conjugated aromatic polymer synthesized via C-C coupling reactions between tetrabromopolyaromatic monomers. Pre-arranged monomers in the bulk crystal undergo C-C coupling driven by endogenous solid-state polymerization to produce a crystalline polymer, which can be mechanically exfoliated into micrometre-sized lamellar sheets with a thickness of 1 nm. Isothermal gas-sorption measurements of the bulk material reveal a dominant pore size of ~0.6 nm, which indicates uniform open channels from the eclipsed stacking of the sheets. When employed as an organic anode in an ambient-temperature sodium cell, the material allows a fast charge/discharge of sodium ions, with impressive reversible capacity, rate capability and stability metrics.

Characterization of polycyclic aromatic hydrocarbons (PAH's) present in sampled cooked food

International Nuclear Information System (INIS)

Palm Naa-Dedei, L.M.

2010-07-01

The study was conducted to determine the levels of Polycyclic Aromatic Hydrocarbons in the following traditionally prepared food: smoked and grilled Scomba japonicus, grilled meat (khebab) and bread sampled from some Ghanaian markets. By way of preparation of traditional food, some food comes into direct contact with smoke or extremely high temperature which are potential sources of Polycyclic Aromatic Hydrocarbon generation. Levels of 20 individual Polycyclic Aromatic Hydrocarbons including acenaphthene, acenaphtyelene, anthanthrene, anthracene, benz(a)anthracene, benzo(a)pyrene, benzo(b)fluoranthene, benzo(e)pyrene, benzo(ghi)perylene, benzo(j)fluoranthene, benzo(k)fluoranthene, chrysene, cyclopenta(cd)pyrene, dibenzo(ah)anthracene, fluoranthene, fluorene, indeno(1,2,3-cd)pyrene, naphthalene, phenanthrene and pyrene were determined in 11 smoked and 5 grilled fish, 4 grilled pieces of meat and 3 loaves of baked bread using gas chromatographic techniques with flame ionization detector. Benzo(a)pyrene, which is one of the few PAH for which a legal limit exists in different types of food matrices and other high molecular weight PAHs suspected to be carcinogenic have been detected in high concentrations in most samples. Bread samples gave mean polycyclic aromatic hydrocarbon concentrations of up to 20.39 μg/kg while khebab samples gave mean polycyclicaromatic hydrocarbon concentrations of up to 67.61 μg/kg. There was positive correlation of 0.987 between levels of polycyclic aromatic hydrocarbon concentrations in khebab samples from locations Osu and Atomic down. There was a positive correlation in the concentrations of the high molecular weight PAHs in all smoked fishes from four locations with values between 0.954 and 0.999 for the correlation between any two groups. The polycyclic aromatic hydrocarbon concentration determined in smoked fish samples deceased in terms of location according to the order Winneba > Madina > Chorkor > Ada.

Arterial blood oxygen saturation during blood pressure cuff-induced hypoperfusion

International Nuclear Information System (INIS)

Kyriacou, P A; Shafqat, K; Pal, S K

2007-01-01

Pulse oximetry has been one of the most significant technological advances in clinical monitoring in the last two decades. Pulse oximetry is a non-invasive photometric technique that provides information about the arterial blood oxygen saturation (SpO 2 ) and heart rate, and has widespread clinical applications. When peripheral perfusion is poor, as in states of hypovolaemia, hypothermia and vasoconstriction, oxygenation readings become unreliable or cease. The problem arises because conventional pulse oximetry sensors must be attached to the most peripheral parts of the body, such as finger, ear or toe, where pulsatile flow is most easily compromised. Pulse oximeters estimate arterial oxygen saturation by shining light at two different wavelengths, red and infrared, through vascular tissue. In this method the ac pulsatile photoplethysmographic (PPG) signal associated with cardiac contraction is assumed to be attributable solely to the arterial blood component. The amplitudes of the red and infrared ac PPG signals are sensitive to changes in arterial oxygen saturation because of differences in the light absorption of oxygenated and deoxygenated haemoglobin at these two wavelengths. From the ratios of these amplitudes, and the corresponding dc photoplethysmographic components, arterial blood oxygen saturation (SpO 2 ) is estimated. Hence, the technique of pulse oximetry relies on the presence of adequate peripheral arterial pulsations, which are detected as photoplethysmographic (PPG) signals. The aim of this study was to investigate the effect of pressure cuff-induced hypoperfusion on photoplethysmographic signals and arterial blood oxygen saturation using a custom made finger blood oxygen saturation PPG/SpO 2 sensor and a commercial finger pulse oximeter. Blood oxygen saturation values from the custom oxygen saturation sensor and a commercial finger oxygen saturation sensor were recorded from 14 healthy volunteers at various induced brachial pressures. Both pulse

Arterial blood oxygen saturation during blood pressure cuff-induced hypoperfusion

Science.gov (United States)

Kyriacou, P. A.; Shafqat, K.; Pal, S. K.

2007-10-01

Pulse oximetry has been one of the most significant technological advances in clinical monitoring in the last two decades. Pulse oximetry is a non-invasive photometric technique that provides information about the arterial blood oxygen saturation (SpO2) and heart rate, and has widespread clinical applications. When peripheral perfusion is poor, as in states of hypovolaemia, hypothermia and vasoconstriction, oxygenation readings become unreliable or cease. The problem arises because conventional pulse oximetry sensors must be attached to the most peripheral parts of the body, such as finger, ear or toe, where pulsatile flow is most easily compromised. Pulse oximeters estimate arterial oxygen saturation by shining light at two different wavelengths, red and infrared, through vascular tissue. In this method the ac pulsatile photoplethysmographic (PPG) signal associated with cardiac contraction is assumed to be attributable solely to the arterial blood component. The amplitudes of the red and infrared ac PPG signals are sensitive to changes in arterial oxygen saturation because of differences in the light absorption of oxygenated and deoxygenated haemoglobin at these two wavelengths. From the ratios of these amplitudes, and the corresponding dc photoplethysmographic components, arterial blood oxygen saturation (SpO2) is estimated. Hence, the technique of pulse oximetry relies on the presence of adequate peripheral arterial pulsations, which are detected as photoplethysmographic (PPG) signals. The aim of this study was to investigate the effect of pressure cuff-induced hypoperfusion on photoplethysmographic signals and arterial blood oxygen saturation using a custom made finger blood oxygen saturation PPG/SpO2 sensor and a commercial finger pulse oximeter. Blood oxygen saturation values from the custom oxygen saturation sensor and a commercial finger oxygen saturation sensor were recorded from 14 healthy volunteers at various induced brachial pressures. Both pulse

Nonlinear acoustics of water-saturated marine sediments

DEFF Research Database (Denmark)

Jensen, Leif Bjørnø

1976-01-01

Interest in the acoustic qualities of water-saturated marine sediments has increased considerably during recent years. The use of sources of high-intensity sound in oil propsecting, in geophysical and geological studies of bottom and subbottom materials and profiles and recently in marine...... archaeology has emphasized the need of information about the nonlinear acoustic qualities of water-saturated marine sediments. While the acoustic experiments and theoretical investigations hitherto performed have concentrated on a determination of the linear acoustic qualities of water-saturated marine...... sediments, their parameters of nonlinear acoustics are still unexplored. The strong absorption, increasing about linearly with frequency, found in most marine sediments and the occurrence of velocity dispersion by some marine sediments restrict the number of nonlinear acoustic test methods traditionally...

Direct Numerical Simulations of Dynamic Drainage and Imbibition to Investigate Capillary Pressure-Saturation-Interfacial Area Relation

Science.gov (United States)

Konangi, S.; Palakurthi, N. K.; Karadimitriou, N.; Comer, K.; Ghia, U.

2017-12-01

We present results of pore-scale direct numerical simulations (DNS) of drainage and imbibition in a quasi-two-dimensional (40µm thickness) porous medium with a randomly distributed packing of cylindrical obstructions. The Navier-Stokes (NS) equations are solved in the pore space on an Eulerian mesh using the open-source finite-volume computational fluid dynamics (CFD) code, OpenFOAM. The Volume-of-Fluid (VOF) method is employed to track the evolution of the fluid-fluid interface; a static contact angle is used to account for wall adhesion. From the DNS data, we focus on the macroscopic capillary pressure-saturation (Pc-Sw) relation, which is known to be hysteretic, i.e., this relation is flow process (such as drainage, imbibition and scanning curves) and history dependent. In order to overcome the problem of hysteresis, extended theories of multiphase flow hypothesized that the inclusion of specific interfacial area as a state variable will result in a unique relation between capillary pressure, saturation and interfacial area (Pc-Sw-awn). We study the role of specific interfacial area on hysteresis in the macroscopic Pc-Sw relation under non-equilibrium (dynamic) conditions. Under dynamic conditions, capillary pressure depends on the rate of change of the wetting phase saturation, and the dynamic Pc-Sw relation includes the changes caused by viscous effects. Simulations of drainage and imbibition are performed for two capillary numbers by controlling the flow rate of the non-wetting (polydimenthlysiloxane oil) and wetting (water) fluids. From these simulations, the Pc-Sw curves will be estimated; the Pc-S-awn surface will be constructed to determine whether the data points from drainage and imbibition processes fall on a unique surface under transient conditions. Different macroscopic capillary pressure definitions based on phase-averaged pressures and interfacial area will be evaluated. Understanding macroscopic capillary pressure definitions and the uniqueness

Aromatization of propane over MFI-gallosilicates

NARCIS (Netherlands)

Bayense, C.R.; vd Pol, A.J.H.P.; Hooff, van J.H.C.

1991-01-01

The results of propane aromatization over gallium containing HZSM-5 zeolites are described. Highly dispersed gallium in the zeolite (framework or extra-framework) was found to possess dehydrogenation activity, especially in the presence of strong Brønsted acid sites. The extra-framework gallium was

Metagenomic screening for aromatic compound-responsive transcriptional regulators.

Directory of Open Access Journals (Sweden)

Taku Uchiyama

Full Text Available We applied a metagenomics approach to screen for transcriptional regulators that sense aromatic compounds. The library was constructed by cloning environmental DNA fragments into a promoter-less vector containing green fluorescence protein. Fluorescence-based screening was then performed in the presence of various aromatic compounds. A total of 12 clones were isolated that fluoresced in response to salicylate, 3-methyl catechol, 4-chlorocatechol and chlorohydroquinone. Sequence analysis revealed at least 1 putative transcriptional regulator, excluding 1 clone (CHLO8F. Deletion analysis identified compound-specific transcriptional regulators; namely, 8 LysR-types, 2 two-component-types and 1 AraC-type. Of these, 9 representative clones were selected and their reaction specificities to 18 aromatic compounds were investigated. Overall, our transcriptional regulators were functionally diverse in terms of both specificity and induction rates. LysR- and AraC- type regulators had relatively narrow specificities with high induction rates (5-50 fold, whereas two-component-types had wide specificities with low induction rates (3 fold. Numerous transcriptional regulators have been deposited in sequence databases, but their functions remain largely unknown. Thus, our results add valuable information regarding the sequence-function relationship of transcriptional regulators.

Development of a new spectrophotometric method to determine the total aromatic contents in kerosene

International Nuclear Information System (INIS)

Harfoush, A.; shlewit, H.

1996-12-01

This developed spectrophotometric method is helpful to determine and control the total aromatic contents in kerosene, during the treatment process of kerosene with conc. H sup 2 SO sup 4 and P sup 2 O sup 5 to remove aromatics, which have negative effect on the solvent extraction coefficient KD of uranium from the Syrian phosphoric acid, where kerosene is used as diluent. this method is rapid according to others, and simply, using the standard curve prepared by the separated aromatics from the Syrian kerosene, A =f (C) at 272 nm, we can calculate the aromatic contents in the known samples. (author). 24 Refs., 5 Figs

Saturation and postsaturation phenomena of Rayleigh-Taylor instability with adjacent modes

International Nuclear Information System (INIS)

Ikegawa, Tadashi; Nishihara, Katsunobu

2003-01-01

A weakly nonlinear theory has been developed for the classical Rayleigh-Taylor instability with a finite bandwidth taken into account self-consistently. The theory includes up to third order nonlinearity, which results in the saturation of linear growth and determines subsequent weakly nonlinear growth. Analytical results are shown to agree fairly well with two-dimensional hydrodynamic simulations. There are generally many local peaks of a perturbation with a finite bandwidth due to the interference of modes. Since a local amplitude is determined from phases among the modes as well as the bandwidth, we have investigated an onset of the linear growth saturation and the subsequent weakly nonlinear growth for different bandwidths and phases. It is shown that the saturation of the linear growth occurs locally, i.e., each of the local maximum amplitudes (LMAs) grows exponentially until it reaches almost the same saturation amplitude. In the random phase case, the root mean square amplitude thus saturates with almost the same amplitude as the LMA, after most of the LMAs have saturated. The saturation amplitude of the LMA is found to be independent of the bandwidth and depends on the Atwood number. We derive a formula of the saturation amplitude of modes based on the results obtained, and discuss its relation with Haan's formula [Phys. Rev. A 39, 5812 (1989)]. The LMAs grow linearly in time after the saturation and their speeds are approximated by the product of the linear growth rate and the saturation amplitude. We investigate the Atwood number dependence of both the saturation amplitude and the weakly nonlinear growth

Re/HZSM-5: a new catalyst for ethane aromatization with improved stability

DEFF Research Database (Denmark)

Krogh, Anne; Hansen, Thomas W.; Christensen, Claus Hviid

2003-01-01

Rhenium-impregnated HZSM-5 is found to be a promising catalyst for ethane aromatization. The Re–HZSM-5 catalyst deactivates significantly slower than well-known ethane aromatization Zn–HZSM-5 catalyst. Product selectivities for the two catalysts are similar, indicating that the shape selectivity...

Comparison of empirical models and laboratory saturated hydraulic ...

African Journals Online (AJOL)

Numerous methods for estimating soil saturated hydraulic conductivity exist, which range from direct measurement in the laboratory to models that use only basic soil properties. A study was conducted to compare laboratory saturated hydraulic conductivity (Ksat) measurement and that estimated from empirical models.

Mycotoxicogenic fungal inhibition by innovative cheese cover with aromatic plants.

Science.gov (United States)

Moro, Armando; Librán, Celia M; Berruga, M Isabel; Zalacain, Amaya; Carmona, Manuel

2013-03-30

The use of aromatic plants and their extracts with antimicrobial properties may be compromised in the case of cheese, as some type of fungal starter is needed during its production. Penicillium verrucosum is considered a common cheese spoiler. The aim of this study was to evaluate the innovative use of certain aromatic plants as natural cheese covers in order to prevent mycotoxicogenic fungal growth (P. verrucosum). A collection of 12 essential oils (EOs) was obtained from various aromatic plants by solvent-free microwave extraction technology, and volatile characterisation of the EOs was carried out by gas chromatography/mass spectrometry. The most effective EOs against P. verrucosum were obtained from Anethum graveolens, Hyssopus officinalis and Chamaemelum nobile, yielding 50% inhibition of fungal growth at concentration values lower than 0.02 µL mL⁻¹. All EOs showed high volatile heterogeneity, with α-phellandrene, pinocamphone, isopinocamphone, α-pinene, camphene, 1,8-cineole, carvacrol and trans-anethole being found to be statistically significant in the antifungal model. The use of these aromatic plants as natural covers on cheese can satisfactorily inhibit the growth of some mycotoxicogenic fungal spoilers. Among the volatile compounds present, α- and β-phellandrene were confirmed as the most relevant in the inhibition. © 2012 Society of Chemical Industry.

Aromatic organosulfates in atmospheric aerosols: synthesis, characterization, and abundance.

Science.gov (United States)

Staudt, Sean; Kundu, Shuvashish; Lehmler, Hans-Joachim; He, Xianran; Cui, Tianqu; Lin, Ying-Hsuan; Kristensen, Kasper; Glasius, Marianne; Zhang, Xiaolu; Weber, Rodney J; Surratt, Jason D; Stone1, Elizabeth A

2014-09-01

Aromatic organosulfates are identified and quantified in fine particulate matter (PM 2.5 ) from Lahore, Pakistan, Godavari, Nepal, and Pasadena, California. To support detection and quantification, authentic standards of phenyl sulfate, benzyl sulfate, 3-and 4-methylphenyl sulfate and 2-, 3-, and 4-methylbenzyl sulfate were synthesized. Authentic standards and aerosol samples were analyzed by ultra-performance liquid chromatography (UPLC) coupled to negative electrospray ionization (ESI) quadrupole time-of-flight (ToF) mass spectrometry. Benzyl sulfate was present in all three locations at concentrations ranging from 4 - 90 pg m -3 . Phenyl sulfate, methylphenyl sulfates and methylbenzyl sulfates were observed intermittently with abundances of 4 pg m -3 , 2-31 pg m -3 , 109 pg m -3 , respectively. Characteristic fragment ions of aromatic organosulfates include the sulfite radical ( • SO 3 - , m/z 80) and the sulfate radical ( • SO 4 - , m/z 96). Instrumental response factors of phenyl and benzyl sulfates varied by a factor of 4.3, indicating that structurally-similar organosulfates may have significantly different instrumental responses and highlighting the need to develop authentic standards for absolute quantitation organosulfates. In an effort to better understand the sources of aromatic organosulfates to the atmosphere, chamber experiments with the precursor toluene were conducted under conditions that form biogenic organosulfates. Aromatic organosulfates were not detected in the chamber samples, suggesting that they form through different pathways, have different precursors (e.g. naphthalene or methylnaphthalene), or are emitted from primary sources.

Bulk elastic wave propagation in partially saturated porous solids

International Nuclear Information System (INIS)

Berryman, J.G.; Thigpen, L.; Chin, R.C.Y.

1988-01-01

The linear equations of motion that describe the behavior of small disturbances in a porous solid containing both liquid and gas are solved for bulk wave propagation. The equations have been simplified by neglecting effects due to changes in capillary pressure. With this simplifying assumption, the equations reduce to two coupled (vector) equations of the form found in Biot's equations (for full saturation) but with more complicated coefficients. As in fully saturated solids, two shear waves with the same speed but different polarizations exist as do two compressional waves with distinct speeds. Attenuation effects can be enhanced in the partially saturated solid, depending on the distribution of gas in the pore space. Two models of the liquid/gas spatial distribution are considered: a segregated-fluids model and a mixed-fluids model. The two models predict comparable attentuation when the gas saturation is low, but the segregated-fluids model predicts a more rapid roll-off of attenuation as the gas saturation increases

Fate of the open-shell singlet ground state in the experimentally accessible acenes: A quantum Monte Carlo study

Science.gov (United States)

Dupuy, Nicolas; Casula, Michele

2018-04-01

By means of the Jastrow correlated antisymmetrized geminal power (JAGP) wave function and quantum Monte Carlo (QMC) methods, we study the ground state properties of the oligoacene series, up to the nonacene. The JAGP is the accurate variational realization of the resonating-valence-bond (RVB) ansatz proposed by Pauling and Wheland to describe aromatic compounds. We show that the long-ranged RVB correlations built in the acenes' ground state are detrimental for the occurrence of open-shell diradical or polyradical instabilities, previously found by lower-level theories. We substantiate our outcome by a direct comparison with another wave function, tailored to be an open-shell singlet (OSS) for long-enough acenes. By comparing on the same footing the RVB and OSS wave functions, both optimized at a variational QMC level and further projected by the lattice regularized diffusion Monte Carlo method, we prove that the RVB wave function has always a lower variational energy and better nodes than the OSS, for all molecular species considered in this work. The entangled multi-reference RVB state acts against the electron edge localization implied by the OSS wave function and weakens the diradical tendency for higher oligoacenes. These properties are reflected by several descriptors, including wave function parameters, bond length alternation, aromatic indices, and spin-spin correlation functions. In this context, we propose a new aromatic index estimator suitable for geminal wave functions. For the largest acenes taken into account, the long-range decay of the charge-charge correlation functions is compatible with a quasi-metallic behavior.

Shearing of saturated clays in rock joints at high confining pressures

International Nuclear Information System (INIS)

Wang, C.; Mao, N.

1979-01-01

Saturated clays are sheared between rock joints at various pore water pressures and at confining pressures up to 3 kb (300 Mpa). Sliding on these joints is stable. For a given clay, the shear stress required to initiate sliding increases linearly with the effective normal stress across the sliding surface, with a slope of 0.08 +- 0.01 for joints filled with saturated montmorillonite, 0.12 +- 0.01 with saturated chlorite, 0.15 +- 0.01 with saturated kaolinite, and 0.22 +- 0.02 with saturated silty illite. Thus at high confining pressures the shear stress required to initiate sliding on joints filled with saturated clays are very much smaller than that required to initiate sliding on clean rock joints or on joints filled with dry gouge materials. In the crust, saturation of gouge materials along active faults would greatly lower the frictional resistance to faulting and would stabilize fault movement. Different fault behaviors such as stable creep along some faults and intermittent but sudden slip along others may reflect in part different degrees of saturation of fault zones at depth

Synthesis and Properties of Some polyurethane/ Partially Aromatic Polyester Casting Samples

International Nuclear Information System (INIS)

Sadek, E.M.; Mazroua, A.M.; Emam, A.S.; Motawie, A.M.

2005-01-01

A series of partially aromatic terephthalate polyesters were synthesized by melt transesterification of dimethyl terephthalate with various types of aliphatic diol compounds in 1:1.1 molar ratio. Ethylene-, di-, tri-, tetra ethylene glycol and polyethylene glycol with different molecular weights 1000, 4000, 6000 as well as the prepared dihydroxy natural rubber were used. Another series of partially aromatic adipate and sebacate polyesters based on the prepared bisphenol A and its tetrabromo derivative were also synthesized by direct polycondensation esterification with adipic and sebacic acid. Polyurethane with NCO/OH ratio equal 4 was prepared from the reaction of 2,4 toluene diisocyanate with polyethylene glycol 1000. The prepared polyurethane was mixed with different weight percentages (2, 4, 6, 8, 10 or 12 % w/w) of the prepared partially aromatic polyesters to give polyurethane/polyester compositions. Mechanical and electrical properties as well as water and chemical resistance of the prepared film samples with thickness 3-4 mm were determined and compared with those of polyurethane film sample without polyester. The data indicate that 10 % w/w of the added partially aromatic polyester increases polyurethane tensile strength, improves its insulation properties and hydrolytic stability as well as its chemical resistance. Film samples based on bisphenol A impart excellent properties as compared with those based on aliphatic glycol species and dihydroxy natural rubber. Keywords: Partially aromatic polyesters, Dimethyl terephthalate, Glycols, Bisphenol A, Tetrabromo bisphenol A, Natural rubber, Adipic acid, Sebacic acid, Polyurethane, Casting

Process for removing halogenated aliphatic and aromatic compounds from petroleum products

Science.gov (United States)

Googin, J.M.; Napier, J.M.; Travaglini, M.A.

1983-09-20

A process is described for removing halogenated aliphatic and aromatic compounds, e.g., polychlorinated biphenyls, from petroleum products by solvent extraction. The halogenated aliphatic and aromatic compounds are extracted from a petroleum product into a polar solvent by contacting the petroleum product with the polar solvent. The polar solvent is characterized by a high solubility for the extracted halogenated aliphatic and aromatic compounds, a low solubility for the petroleum product and considerable solvent power for polyhydroxy compound. The preferred polar solvent is dimethylformamide. A miscible compound, such as, water or a polyhydroxy compound, is added to the polar extraction solvent to increase the polarity of the polar extraction solvent. The halogenated aliphatic and aromatic compounds are extracted from the highly-polarized mixture of water or polyhydroxy compound and polar extraction solvent into a low polar or nonpolar solvent by contacting the water or polyhydroxy compound-polar solvent mixture with the low polar or nonpolar solvent. The halogenated aliphatic and aromatic compounds and the low polar or nonpolar solvent are separated by physical means, e.g., vacuum evaporation. The polar and nonpolar solvents are recovered from recycling. The process can easily be designed for continuous operation. Advantages of the process include that the polar solvent and a major portion of the nonpolar solvent can be recycled, the petroleum products are reclaimable and the cost for disposing of waste containing polychlorinated biphenyls is significantly reduced. 1 fig.

Spectroscopic and theoretical studies on the aromaticity of pyrrol-2-yl-carbonyl conformers

Science.gov (United States)

Dubis, Alina T.; Wojtulewski, Sławomir; Filipkowski, Karol

2013-06-01

The aromaticity of s-cis and s-trans pyrrol-2-yl carbonyl conformers was studied by FT-IR, 1H NMR spectroscopy and DFT calculations at the B3LYP/6-311++G(d,p) level of theory. The Harmonic Oscillator Model of Aromaticity (HOMA) and Nucleus Independent Chemical Shift (NICS) indices were calculated to estimate π-electron delocalization in the pyrrole ring. The usefulness of infrared spectroscopy in the evaluation of the aromaticity of the homogeneous set of pyrroles is discussed. The influence of 2-substitution on different aspects of aromaticity and stability of the pyrrol-2-yl carbonyl conformers is also discussed. It is concluded that the substitution effect of the title pyrrole derivatives can be explained on the basis of theoretical and experimental measurements of π-electron delocalization, including IR data.

Polycyclic aromatic hydrocarbons in air samples of meat smokehouses

DEFF Research Database (Denmark)

Hansen, Åse Marie; Olsen, I L; Poulsen, O M

1992-01-01

In a screening programme nine Danish meat smokehouses were randomly selected for measurements on concentration of airborne polycyclic aromatic hydrocarbons (PAH). A total of 23 stationary air samples were collected during the entire working period of the kiln either above the kiln doors or approx......In a screening programme nine Danish meat smokehouses were randomly selected for measurements on concentration of airborne polycyclic aromatic hydrocarbons (PAH). A total of 23 stationary air samples were collected during the entire working period of the kiln either above the kiln doors...

A demonstration experiment for studying the properties of saturated vapor

Science.gov (United States)

Grebenev, Igor V.; Lebedeva, Olga V.; Polushkina, Svetlana V.

2017-11-01

The paper proposes an important demonstration experiment that can be used at secondary schools in physics. The described experiment helps students learn the main concepts of the topic ‘saturated vapor’, namely, evaporation, condensation, dynamic equilibrium, saturation vapor, partial pressure, and the dependence of saturated vapor pressure on temperature.

A new theoretical interpretation of Archie's saturation exponent

Directory of Open Access Journals (Sweden)

P. W. J. Glover

2017-07-01

Full Text Available This paper describes the extension of the concepts of connectedness and conservation of connectedness that underlie the generalized Archie's law for n phases to the interpretation of the saturation exponent. It is shown that the saturation exponent as defined originally by Archie arises naturally from the generalized Archie's law. In the generalized Archie's law the saturation exponent of any given phase can be thought of as formally the same as the phase (i.e. cementation exponent, but with respect to a reference subset of phases in a larger n-phase medium. Furthermore, the connectedness of each of the phases occupying a reference subset of an n-phase medium can be related to the connectedness of the subset itself by Gi = GrefSini. This leads naturally to the idea of the term Sini for each phase i being a fractional connectedness, where the fractional connectednesses of any given reference subset sum to unity in the same way that the connectednesses sum to unity for the whole medium. One of the implications of this theory is that the saturation exponent of any phase can be now be interpreted as the rate of change of the fractional connectedness with saturation and connectivity within the reference subset.

Composition of volatile aromatic compounds and minerals of tarhana enriched with cherry laurel (Laurocerasus officinalis).

Science.gov (United States)

Temiz, Hasan; Tarakçı, Zekai

2017-03-01

Different concentrations of cherry laurel pulp (0, 5, 10, 15 and 20%) were used to produce tarhana samples. Volatile aromatic compounds and minor mineral content were investigated. Volatile aromatic compounds were analyzed by using GC-MS with SPME fiber and minor mineral values were evaluated with inductively coupled plasma optical emission spectrometer. The statistical analysis showed that addition of pulp affected volatile aromatic compounds and minor mineral content significantly. Thirty five volatile aromatic compounds were found in tarhana samples. The octanoic acid from acids, benzaldehyde (CAS) phenylmethanal from aldehydes, 6-methyl-5-hepten-2-one from ketones, octadecane (CAS) n -octadecane form terpenes, ethyl caprylate from esters and benzenemethanol (CAS) benzyl alcohol from alcohols had the highest percentage of volatile aromatic compounds. Tarhana samples were rich source of Mn, Cu and Fe content.

Radiation chemistry of aromatic dimer radical cations

International Nuclear Information System (INIS)

Okamoto, Kazumasa; Tagawa, Seiichi

2009-01-01

π-π Interactions of aromatic molecules are paid attention much in many fields, especially biology, chemistry, and applied physics, represented as protein, DNA, electron donor-accepter complexes, charge transfers, and self assembly molecules. Aromatic molecules including benzene rings are the simplest case to study the π-π interactions. To interpret the charge resonance (CR) structure in the dimer radical cations, spectroscopic and ESR methods have been carried out. The spectroscopic study on the dimer radical ion of molecules with two chromophores would be profitable to identify the electronic and configurational properties. In this article, dynamics of the dimer radical cation of benzenes, polystyrenes, and resist polymers is described on the basis of direct observation of CR band by the nanosecond pulse radiolysis and low temperature γ-radiolysis methods. (author)

High speed drying of saturated steam

International Nuclear Information System (INIS)

Marty, C.; Peyrelongue, J.P.

1993-01-01

This paper describes the development of the drying process for the saturated steam used in the PWR nuclear plant turbines in order to prevent negative effects of water on turbine efficiency, maintenance costs and equipment lifetime. The high speed drying concept is based on rotating the incoming saturated steam in order to separate water which is more denser than the steam; the water film is then extracted through an annular slot. A multicellular modular equipment has been tested. Applications on high and low pressure extraction of various PWR plants are described (Bugey, Loviisa)

Quantum Oscillator in the Thermostat as a Model in the Thermodynamics of Open Quantum Systems

OpenAIRE

Sukhanov, Aleksander

2005-01-01

The quantum oscillator in the thermostat is considered as the model of an open quantum system. Our analysis will be heavily founded on the use of the Schroedinger generalized uncertainties relations (SUR). Our first aim is to demonstrate that for the quantum oscillator the state of thermal equilibrium belongs to the correlated coherent states (CCS), which imply the saturation of SUR at any temperature. The obtained results open the perspective for the search of some statistical theory, which ...

Isolation and identification of aromatic hydrocarbon degrading yeasts present in gasoline tanks of urbans vehicles

Directory of Open Access Journals (Sweden)

Nathalia Catalina Delgadillo-Ordoñez

2017-07-01

Full Text Available Yeast isolates were obtained from fuel tanks of vehicles in order to assess their potential use in the degradation of aromatic hydrocarbons. Growth assays were performed in minimum mineral medium using different aromatic hydrocarbons (benzene, toluene, naphthalene, phenanthrene, and pyrene as the sole carbon source. Isolates that showed growth in any of the tested polycyclic aromatic hydrocarbons were identified by Sanger sequencing of the ITS1 and ITS2 rDNA molecular markers. A total of 16 yeasts strains were isolated, and three showed remarkable growth in media with aromatic hydrocarbons as the sole carbon source. These strains belong to the genus Rhodotorula, and correspond to the species Rhodotorula calyptogenae (99,8% identity and Rhodotorula dairenensis (99,8% identity.  These strains grew in benzene, toluene, naphthalene, phenanthrene and pyrene. This study demonstrates for the first time that yeasts of the genus Rhodotorula inhabit pipelines and fuel tanks of vehicles and that remove   aromatic hydrocarbons that are environmental pollutants. Our results suggest that these yeasts are potential candidates for aromatic hydrocarbon degradation as part of bioremediation strategies.

Molybdenite saturation in silicic magmas: Occurrence and petrological implications

Science.gov (United States)

Audetat, A.; Dolejs, D.; Lowenstern, J. B.

2011-01-01

We identified molybdenite (MoS2) as an accessory magmatic phase in 13 out of 27 felsic magma systems examined worldwide. The molybdenite occurs as small (molybdenite-saturated samples reveal 1-13 ppm Mo in the melt and geochemical signatures that imply a strong link to continental rift basalt-rhyolite associations. In contrast, arc-associated rhyolites are rarely molybdenite-saturated, despite similar Mo concentrations. This systematic dependence on tectonic setting seems to reflect the higher oxidation state of arc magmas compared with within-plate magmas. A thermodynamic model devised to investigate the effects of T, f O2 and f S2 on molybdenite solubility reliably predicts measured Mo concentrations in molybdenite-saturated samples if the magmas are assumed to have been saturated also in pyrrhotite. Whereas pyrrhotite microphenocrysts have been observed in some of these samples, they have not been observed from other molybdenite-bearing magmas. Based on the strong influence of f S2 on molybdenite solubility we calculate that also these latter magmas must have been at (or very close to) pyrrhotite saturation. In this case the Mo concentration of molybdenite-saturated melts can be used to constrain both magmatic f O2 and f S2 if temperature is known independently (e.g. by zircon saturation thermometry). Our model thus permits evaluation of magmatic f S2, which is an important variable but is difficult to estimate otherwise, particularly in slowly cooled rocks. ?? The Author 2011. Published by Oxford University Press. All rights reserved.

Microbial transformation of chlorinated aromatics in sediments

NARCIS (Netherlands)

Beurskens, J.E.M.

1995-01-01

Numerous contaminants like heavy metals, polycyclic aromatic hydrocarbons (PAHs), chlorinated benzenes (CBs), polychlorinated biphenyls (PCBs), polychlorinated dibenzo- p -dioxins (PCDDs) and polychlorinated furans (PCDFs) are detected in the major rivers in the

Formation of Polycyclic Aromatic Hydrocarbons and Nitrogen Containing Polycyclic Aromatic Compounds in Titan's Atmosphere, the Interstellar Medium and Combustion

Science.gov (United States)

Landera, Alexander

2013-12-01

Several different mechanisms leading to the formation of (substituted) naphthalene and azanaphthalenes were examined using theoretical quantum chemical calculations. As a result, a series of novel synthetic routes to Polycyclic Aromatic Hydrocarbons (PAHs) and Nitrogen Containing Polycyclic Aromatic Compounds (N-PACs) have been proposed. On Earth, these aromatic compounds originate from incomplete combustion and are released into our environment, where they are known to be major pollutants, often with carcinogenic properties. In the atmosphere of a Saturn's moon Titan, these PAH and N-PACs are believed to play a critical role in organic haze formation, as well as acting as chemical precursors to biologically relevant molecules. The theoretical calculations were performed by employing the ab initio G3(MP2,CC)/B3LYP/6-311G** method to effectively probe the Potential Energy Surfaces (PES) relevant to the PAH and N-PAC formation. Following the construction of the PES, Rice-Ramsperger-Kassel-Markus (RRKM) theory was used to evaluate all unimolecular rate constants as a function of collision energy under single-collision conditions. Branching ratios were then evaluated by solving phenomenological rate expressions for the various product concentrations. The most viable pathways to PAH and N-PAC formation were found to be those where the initial attack by the ethynyl (C2H) or cyano (CN) radical toward a unsaturated hydrocarbon molecule led to the formation of an intermediate which could not effectively lose a hydrogen atom. It is not until ring cyclization has occurred, that hydrogen elimination leads to a closed shell product. By quenching the possibility of the initial hydrogen atom elimination, one of the most competitive processes preventing the PAH or N-PAC formation was avoided, and the PAH or N-PAC formation was allowed to proceed. It is concluded that these considerations should be taken into account when attempting to explore any other potential routes towards

Fusing porphyrins with polycyclic aromatic hydrocarbons and heterocycles for optoelectronic applications

Science.gov (United States)

Thompson, Mark E.; Diev, Viacheslav; Hanson, Kenneth; Forrest, Stephen R.

2015-08-18

A compound that can be used as a donor material in organic photovoltaic devices comprising a non-activated porphyrin fused with one or more non-activated polycyclic aromatic rings or one or more non-activated heterocyclic rings can be obtained by a thermal fusion process. The compounds can include structures of Formula I: ##STR00001## By heating the reaction mixture of non-activated porphyrins with non-activated polycyclic aromatic rings or heterocyclic rings to a fusion temperature and holding for a predetermined time, fusion of one or more polycyclic rings or heterocyclic rings to the non-activated porphyrin core in meso,.beta. fashion is achieved resulting in hybrid structures containing a distorted porphyrin ring with annulated aromatic rings. The porphyrin core can be olygoporphyrins.

Nuclear determination of saturation profiles in core plugs

International Nuclear Information System (INIS)

Sletsgaard, J.; Oelgaard, P.L.

1997-01-01

A method to determine liquid saturations in core plugs during flooding is of importance when the relative permeability and capillary pressure function are to be determined. This part of the EFP-95 project uses transmission of γ-radiation to determine these saturations. In γ-transmission measurements, the electron density of the given substance is measured. This is an advantage as compared to methods that use electric conductivity, since neither oil nor gas conducts electricity. At the moment a single 137 Cs-source is used, but a theoretical investigation of whether it is possible to determine three saturations, using two radioactive sources with different γ-energies, has been performed. Measurements were made on three core plugs. To make sure that the measurements could be reproduced, all the plugs had a point of reference, i.e. a mark so that it was possible to place the plug same way every time. Two computer programs for calculation of saturation and porosity and the experimental setup are listed. (EG)

Arterial blood oxygen saturation during blood pressure cuff-induced hypoperfusion

Energy Technology Data Exchange (ETDEWEB)

Kyriacou, P A [School of Engineering and Mathematical Sciences, City University, London EC1V 0HB (United Kingdom); Shafqat, K [School of Engineering and Mathematical Sciences, City University, London EC1V 0HB (United Kingdom); Pal, S K [St Andrew' s Centre for Plastic Surgery and Burns, Broomfield Hospital, Chelmsford, CM1 7ET (United Kingdom)

2007-10-15

Pulse oximetry has been one of the most significant technological advances in clinical monitoring in the last two decades. Pulse oximetry is a non-invasive photometric technique that provides information about the arterial blood oxygen saturation (SpO{sub 2}) and heart rate, and has widespread clinical applications. When peripheral perfusion is poor, as in states of hypovolaemia, hypothermia and vasoconstriction, oxygenation readings become unreliable or cease. The problem arises because conventional pulse oximetry sensors must be attached to the most peripheral parts of the body, such as finger, ear or toe, where pulsatile flow is most easily compromised. Pulse oximeters estimate arterial oxygen saturation by shining light at two different wavelengths, red and infrared, through vascular tissue. In this method the ac pulsatile photoplethysmographic (PPG) signal associated with cardiac contraction is assumed to be attributable solely to the arterial blood component. The amplitudes of the red and infrared ac PPG signals are sensitive to changes in arterial oxygen saturation because of differences in the light absorption of oxygenated and deoxygenated haemoglobin at these two wavelengths. From the ratios of these amplitudes, and the corresponding dc photoplethysmographic components, arterial blood oxygen saturation (SpO{sub 2}) is estimated. Hence, the technique of pulse oximetry relies on the presence of adequate peripheral arterial pulsations, which are detected as photoplethysmographic (PPG) signals. The aim of this study was to investigate the effect of pressure cuff-induced hypoperfusion on photoplethysmographic signals and arterial blood oxygen saturation using a custom made finger blood oxygen saturation PPG/SpO{sub 2} sensor and a commercial finger pulse oximeter. Blood oxygen saturation values from the custom oxygen saturation sensor and a commercial finger oxygen saturation sensor were recorded from 14 healthy volunteers at various induced brachial pressures

Polycyclic aromatic hydrocarbons and nitropolycyclic aromatic hydrocarbons in particulates emitted by motorcycles

International Nuclear Information System (INIS)

Pham, Chau Thuy; Kameda, Takayuki; Toriba, Akira; Hayakawa, Kazuichi

2013-01-01

We determined eleven PAHs and four NPAHs in particulates and regulated pollutants (CO, CO 2 , HC, NO x , PM) exhausted from motorcycles to figure out the characteristics of motorcycle exhausts. Fluoranthene and pyrene accounted for more than 50% of the total detected PAHs. Among four detected NPAHs, 6-nitrochrysene and 7-nitrobenz[a]anthracene were the predominant NPAHs and were highly correlated relationship with their parent PAHs (R = 0.93 and 0.97, respectively). The PM and HC emissions tended to be close to the PAH emissions. NO x and NPAHs were negatively correlated. Despite their small engine size, motorcycles emitted much more PM and PAHs, showed stronger PAH-related carcinogenicity and indirect-acting mutagenicity, but weaker NPAH-related direct-acting mutagenic potency than automobiles. This is the first study to analyze both PAHs and NPAHs emitted by motorcycles, which could provide useful information to design the emission regulations and standards for motorcycles such as PM. -- Highlights: ► We characterized PAHs and NPAHs distribution in motorcycle exhausts. ► NPAHs concentrations were about three orders of magnitude lower than those of PAHs. ► We found larger amounts of PM and PAHs in exhaust of motorcycles than of automobiles. ► Motorcycles showed stronger PAH-related toxicity than automobiles. ► Motorcycles showed weaker NPAH-related direct-acting mutagenicity than automobiles. -- Control polycyclic aromatic hydrocarbons and nitropolycyclic aromatic hydrocarbon in particulates emitted by motorcycles due to their toxic potency

[Determination of the redox potential of water saturated with hydrogen].

Science.gov (United States)

Piskarev, I M; Ushkanov, V A; Aristova, N A; Likhachev, P P; Myslivets, T C

2010-01-01

It has been shown that the redox potential of water saturated with hydrogen is -500--700 mV. The time of the establishment of the potential is 24 h. The potential somewhat increases with increasing volume of hydrogen introduced to a reservoir with water and practically does not depend on the presence of additions in water, provided these additions are not reduced by hydrogen. The pH value of water does not change after the addition of water. In a glass vessel with a metallic cover resting on the side, no decrease in potential during the 2.5-month storage was observed. In plastic bottles, the content of hydrogen decreased; on storage for more than two weeks, it disappeared almost completely, and as a result, the potential increased after storage for three to four weeks to a level near zero. In an open vessel, the potential remained negative for two days.

On the propagation of a coupled saturation and pressure front

Energy Technology Data Exchange (ETDEWEB)

Vasco, D. W.

2010-12-01

Using an asymptotic technique, valid for a medium with smoothly varying heterogeneity, I derive an expression for the velocity of a propagating, coupled saturation and pressure front. Due to the nonlinearity of the governing equations, the velocity of the propagating front depends upon the magnitude of the saturation and pressure changes across the front in addition to the properties of the medium. Thus, the expression must be evaluated in conjunction with numerical reservoir simulation. The propagation of the two-phase front is governed by the background saturation distribution, the saturation-dependent component of the fluid mobility, the porosity, the permeability, the capillary pressure function, the medium compressibility, and the ratio of the slopes of the relative permeability curves. Numerical simulation of water injection into a porous layer saturated with a nonaqueous phase liquid indicates that two modes of propagation are important. The fastest mode of propagation is a pressure-dominated disturbance that travels through the saturated layer. This is followed, much later, by a coupled mode with a large saturation change. These two modes are also observed in a simulation using a heterogeneous porous layer. A comparison between the propagation times estimated from the results of the numerical simulation and predictions from the asymptotic expression indicates overall agreement.

Polycyclic aromatic hydrocarbons (PAHs) degradation by laccase ...

African Journals Online (AJOL)

PRECIOUS

2009-11-02

Nov 2, 2009 ... Full Length Research Paper. Polycyclic aromatic ... production of paper, feeds, chemicals and fuels there is ... microbes with the production of lignin-modifying enzymes ... enable white rot fungi to degrade a variety of toxic.

[Macromolecular aromatic network characteristics of Chinese power coal analyzed by synchronous fluorescence and X-ray diffraction].

Science.gov (United States)

Ye, Cui-Ping; Feng, Jie; Li, Wen-Ying

2012-07-01

Coal structure, especially the macromolecular aromatic skeleton structure, has a strong influence on coke reactivity and coal gasification, so it is the key to grasp the macromolecular aromatic skeleton coal structure for getting the reasonable high efficiency utilization of coal. However, it is difficult to acquire their information due to the complex compositions and structure of coal. It has been found that the macromolecular aromatic network coal structure would be most isolated if small molecular of coal was first extracted. Then the macromolecular aromatic skeleton coal structure would be clearly analyzed by instruments, such as X-ray diffraction (XRD), fluorescence spectroscopy with synchronous mode (Syn-F), Gel permeation chromatography (GPC) etc. Based on the previous results, according to the stepwise fractional liquid extraction, two Chinese typical power coals, PS and HDG, were extracted by silica gel as stationary phase and acetonitrile, tetrahydrofuran (THF), pyridine and 1-methyl-2-pyrollidinone (NMP) as a solvent group for sequential elution. GPC, Syn-F and XRD were applied to investigate molecular mass distribution, condensed aromatic structure and crystal characteristics. The results showed that the size of aromatic layers (La) is small (3-3.95 nm) and the stacking heights (Lc) are 0.8-1.2 nm. The molecular mass distribution of the macromolecular aromatic network structure is between 400 and 1 130 amu, with condensed aromatic numbers of 3-7 in the structure units.

A new strategy for aromatic ring alkylation in cylindrocyclophane biosynthesis.

Science.gov (United States)

Nakamura, Hitomi; Schultz, Erica E; Balskus, Emily P

2017-08-01

Alkylation of aromatic rings with alkyl halides is an important transformation in organic synthesis, yet an enzymatic equivalent is unknown. Here, we report that cylindrocyclophane biosynthesis in Cylindrospermum licheniforme ATCC 29412 involves chlorination of an unactivated carbon center by a novel halogenase, followed by a previously uncharacterized enzymatic dimerization reaction featuring sequential, stereospecific alkylations of resorcinol aromatic rings. Discovery of the enzymatic machinery underlying this unique biosynthetic carbon-carbon bond formation has implications for biocatalysis and metabolic engineering.

Semiconductor saturable absorbers for ultrafast THz signals

DEFF Research Database (Denmark)

Hoffmann, Matthias C.; Turchinovich, Dmitry

We demonstrate saturable absorber behavior of n-type semiconductors in the THz frequency range using nonlinear THz spectroscopy. Further, we observe THz pulse shortening and increase of the group refractive index at high field strengths.......We demonstrate saturable absorber behavior of n-type semiconductors in the THz frequency range using nonlinear THz spectroscopy. Further, we observe THz pulse shortening and increase of the group refractive index at high field strengths....

In Situ Raman Spectroscopic Observations of Gas-Saturated Rising Oil droplets: Simulation with Decane as an Oil-Equivalent Substitute

Science.gov (United States)

Peltzer, E. T.; Walz, P. M.; Brewer, P. G.

2016-02-01

Oil droplets rising from the sea floor, whether from seeps or well leakage, contain very large quantities of dissolved gas that profoundly affects their density and critical oil-water interfacial characteristics. The primary dissolved gas is methane which may be up to 30% of the molar volume. This can create a hydrate skin as the methane gas is shed from the oil as it rises through the water column, thus decreasing in pressure and increasing in temperature, and steadily changing the rising droplet buoyancy. We have explored this phenomenon by executing controlled ROV based experiments with a "bubble cup" technique in which a small volume of gas saturated decane (saturated with pure methane, a mix of methane and nitrogen , or a mix of methane and CO2) is interrogated by laser Raman spectroscopy. The use of decane as an oil "substitute" is required since natural oil samples are highly fluorescent due to the presence of polycyclic aromatic hydrocarbons. We have devised Matlab techniques for extracting the spectroscopic dissolved methane signal from the thicket of decane peaks that surround it. We have directly observed the rate at which gases are lost from the "oil" per unit area at depths in the water column that are both within and outside the hydrate forming phase boundary. We have compared the behavior of both a non-hydrate forming dissolved gas (nitrogen) with CO2 where the hydrate phase boundary is at significantly shallower depth. The results indicate complex interfacial behavior and physical chemistry. We did not observe direct gas bubble formation on the decane outer surface but did observe gas bubble formation within the oil droplets as they rose through the water column. Because there are significant energy barriers for homogeneous bubble formation within the decane phase, we took this as evidence of significant gas super-saturation within the oil droplet. The gas loss rates increased significantly in all cases when the hydrate phase boundary was crossed.

Formation of highly oxygenated organic molecules from aromatic compounds

Science.gov (United States)

Molteni, Ugo; Bianchi, Federico; Klein, Felix; El Haddad, Imad; Frege, Carla; Rossi, Michel J.; Dommen, Josef; Baltensperger, Urs

2018-02-01

Anthropogenic volatile organic compounds (AVOCs) often dominate the urban atmosphere and consist to a large degree of aromatic hydrocarbons (ArHCs), such as benzene, toluene, xylenes, and trimethylbenzenes, e.g., from the handling and combustion of fuels. These compounds are important precursors for the formation of secondary organic aerosol. Here we show that the oxidation of aromatics with OH leads to a subsequent autoxidation chain reaction forming highly oxygenated molecules (HOMs) with an O : C ratio of up to 1.09. This is exemplified for five single-ring ArHCs (benzene, toluene, o-/m-/p-xylene, mesitylene (1,3,5-trimethylbenzene) and ethylbenzene), as well as two conjugated polycyclic ArHCs (naphthalene and biphenyl). We report the elemental composition of the HOMs and show the differences in the oxidation patterns of these ArHCs. A potential pathway for the formation of these HOMs from aromatics is presented and discussed. We hypothesize that AVOCs may contribute substantially to new particle formation events that have been detected in urban areas.

Formation of highly oxygenated organic molecules from aromatic compounds

Directory of Open Access Journals (Sweden)

U. Molteni

2018-02-01

Full Text Available Anthropogenic volatile organic compounds (AVOCs often dominate the urban atmosphere and consist to a large degree of aromatic hydrocarbons (ArHCs, such as benzene, toluene, xylenes, and trimethylbenzenes, e.g., from the handling and combustion of fuels. These compounds are important precursors for the formation of secondary organic aerosol. Here we show that the oxidation of aromatics with OH leads to a subsequent autoxidation chain reaction forming highly oxygenated molecules (HOMs with an O : C ratio of up to 1.09. This is exemplified for five single-ring ArHCs (benzene, toluene, o-/m-/p-xylene, mesitylene (1,3,5-trimethylbenzene and ethylbenzene, as well as two conjugated polycyclic ArHCs (naphthalene and biphenyl. We report the elemental composition of the HOMs and show the differences in the oxidation patterns of these ArHCs. A potential pathway for the formation of these HOMs from aromatics is presented and discussed. We hypothesize that AVOCs may contribute substantially to new particle formation events that have been detected in urban areas.

Genetic Diversity of Aromatic Rice Germplasm Revealed By SSR Markers

Directory of Open Access Journals (Sweden)

Saba Jasim Aljumaili

2018-01-01

Full Text Available Aromatic rice cultivars constitute a small but special group of rice and are considered the best in terms of quality and aroma. Aroma is one of the most significant quality traits of rice, and variety with aroma has a higher price in the market. This research was carried out to study the genetic diversity among the 50 aromatic rice accessions from three regions (Peninsular Malaysia, Sabah, and Sarawak with 3 released varieties as a control using the 32 simple sequence repeat (SSR markers. The objectives of this research were to quantify the genetic divergence of aromatic rice accessions using SSR markers and to identify the potential accessions for introgression into the existing rice breeding program. Genetic diversity index among the three populations such as Shannon information index (I ranged from 0.25 in control to 0.98 in Sabah population. The mean numbers of effective alleles and Shannon’s information index were 0.36 and 64.90%, respectively. Similarly, the allelic diversity was very high with mean expected heterozygosity (He of 0.60 and mean Nei’s gene diversity index of 0.36. The dendrogram based on UPGMA and Nei’s genetic distance classified the 53 rice accessions into 10 clusters. Analysis of molecular variance (AMOVA revealed that 89% of the total variation observed in this germplasm came from within the populations, while 11% of the variation emanated among the populations. These results reflect the high genetic differentiation existing in this aromatic rice germplasm. Using all these criteria and indices, seven accessions (Acc9993, Acc6288, Acc6893, Acc7580, Acc6009, Acc9956, and Acc11816 from three populations have been identified and selected for further evaluation before introgression into the existing breeding program and for future aromatic rice varietal development.

Genetic Diversity of Aromatic Rice Germplasm Revealed By SSR Markers.

Science.gov (United States)

Jasim Aljumaili, Saba; Rafii, M Y; Latif, M A; Sakimin, Siti Zaharah; Arolu, Ibrahim Wasiu; Miah, Gous

2018-01-01

Aromatic rice cultivars constitute a small but special group of rice and are considered the best in terms of quality and aroma. Aroma is one of the most significant quality traits of rice, and variety with aroma has a higher price in the market. This research was carried out to study the genetic diversity among the 50 aromatic rice accessions from three regions (Peninsular Malaysia, Sabah, and Sarawak) with 3 released varieties as a control using the 32 simple sequence repeat (SSR) markers. The objectives of this research were to quantify the genetic divergence of aromatic rice accessions using SSR markers and to identify the potential accessions for introgression into the existing rice breeding program. Genetic diversity index among the three populations such as Shannon information index ( I ) ranged from 0.25 in control to 0.98 in Sabah population. The mean numbers of effective alleles and Shannon's information index were 0.36 and 64.90%, respectively. Similarly, the allelic diversity was very high with mean expected heterozygosity ( H e ) of 0.60 and mean Nei's gene diversity index of 0.36. The dendrogram based on UPGMA and Nei's genetic distance classified the 53 rice accessions into 10 clusters. Analysis of molecular variance (AMOVA) revealed that 89% of the total variation observed in this germplasm came from within the populations, while 11% of the variation emanated among the populations. These results reflect the high genetic differentiation existing in this aromatic rice germplasm. Using all these criteria and indices, seven accessions (Acc9993, Acc6288, Acc6893, Acc7580, Acc6009, Acc9956, and Acc11816) from three populations have been identified and selected for further evaluation before introgression into the existing breeding program and for future aromatic rice varietal development.

Genetic Diversity of Aromatic Rice Germplasm Revealed By SSR Markers

Science.gov (United States)

Jasim Aljumaili, Saba; Sakimin, Siti Zaharah; Arolu, Ibrahim Wasiu; Miah, Gous

2018-01-01

Aromatic rice cultivars constitute a small but special group of rice and are considered the best in terms of quality and aroma. Aroma is one of the most significant quality traits of rice, and variety with aroma has a higher price in the market. This research was carried out to study the genetic diversity among the 50 aromatic rice accessions from three regions (Peninsular Malaysia, Sabah, and Sarawak) with 3 released varieties as a control using the 32 simple sequence repeat (SSR) markers. The objectives of this research were to quantify the genetic divergence of aromatic rice accessions using SSR markers and to identify the potential accessions for introgression into the existing rice breeding program. Genetic diversity index among the three populations such as Shannon information index (I) ranged from 0.25 in control to 0.98 in Sabah population. The mean numbers of effective alleles and Shannon's information index were 0.36 and 64.90%, respectively. Similarly, the allelic diversity was very high with mean expected heterozygosity (He) of 0.60 and mean Nei's gene diversity index of 0.36. The dendrogram based on UPGMA and Nei's genetic distance classified the 53 rice accessions into 10 clusters. Analysis of molecular variance (AMOVA) revealed that 89% of the total variation observed in this germplasm came from within the populations, while 11% of the variation emanated among the populations. These results reflect the high genetic differentiation existing in this aromatic rice germplasm. Using all these criteria and indices, seven accessions (Acc9993, Acc6288, Acc6893, Acc7580, Acc6009, Acc9956, and Acc11816) from three populations have been identified and selected for further evaluation before introgression into the existing breeding program and for future aromatic rice varietal development. PMID:29736396

Mechanistic studies on the OH-initiated atmospheric oxidation of selected aromatic hydrocarbons

Energy Technology Data Exchange (ETDEWEB)

Nehr, Sascha

2012-07-01

Benzene, toluene, the xylenes, and the trimethylbenzenes are among the most abundant aromatic trace constituents of the atmosphere mainly originating from anthropogenic sources. The OH-initiated atmospheric photo-oxidation of aromatic hydrocarbons is the predominant removal process resulting in the formation of O{sub 3} and secondary organic aerosol. Therefore, aromatics are important trace constituents regarding air pollution in urban environments. Our understanding of aromatic photo-oxidation processes is far from being complete. This work presents novel approaches for the investigation of OH-initiated atmospheric degradation mechanisms of aromatic hydrocarbons. Firstly, pulsed kinetic studies were performed to investigate the prompt HO{sub 2} formation from OH+ aromatic hydrocarbon reactions under ambient conditions. For these studies, the existing OH reactivity instrument, based on the flash photolysis/laser-induced fluorescence (FP/LIF) technique, was extended to the detection of HO{sub 2} radicals. The experimental design allows for the determination of HO{sub 2} formation yields and kinetics. Results of the pulsed kinetic experiments complement previous product studies and help to reduce uncertainties regarding the primary oxidation steps. Secondly, experiments with aromatic hydrocarbons were performed under atmospheric conditions in the outdoor atmosphere simulation chamber SAPHIR (Simulation of Atmospheric PHotochemistry In a large Reaction chamber) located at Forschungszentrum Juelich. The experiments were aimed at the evaluation of up-to-date aromatic degradation schemes of the Master Chemical Mechanism (MCMv3.2). The unique combination of analytical instruments operated at SAPHIR allows for a detailed investigation of HO{sub x} and NO{sub x} budgets and for the determination of primary phenolic oxidation product yields. MCMv3.2 deficiencies were identified and most likely originate from shortcomings in the mechanistic representation of ring

Formic-acid-induced depolymerization of oxidized lignin to aromatics

Science.gov (United States)

Rahimi, Alireza; Ulbrich, Arne; Coon, Joshua J.; Stahl, Shannon S.

2014-11-01

Lignin is a heterogeneous aromatic biopolymer that accounts for nearly 30% of the organic carbon on Earth and is one of the few renewable sources of aromatic chemicals. As the most recalcitrant of the three components of lignocellulosic biomass (cellulose, hemicellulose and lignin), lignin has been treated as a waste product in the pulp and paper industry, where it is burned to supply energy and recover pulping chemicals in the operation of paper mills. Extraction of higher value from lignin is increasingly recognized as being crucial to the economic viability of integrated biorefineries. Depolymerization is an important starting point for many lignin valorization strategies, because it could generate valuable aromatic chemicals and/or provide a source of low-molecular-mass feedstocks suitable for downstream processing. Commercial precedents show that certain types of lignin (lignosulphonates) may be converted into vanillin and other marketable products, but new technologies are needed to enhance the lignin value chain. The complex, irregular structure of lignin complicates chemical conversion efforts, and known depolymerization methods typically afford ill-defined products in low yields (that is, less than 10-20wt%). Here we describe a method for the depolymerization of oxidized lignin under mild conditions in aqueous formic acid that results in more than 60wt% yield of low-molecular-mass aromatics. We present the discovery of this facile C-O cleavage method, its application to aspen lignin depolymerization, and mechanistic insights into the reaction. The broader implications of these results for lignin conversion and biomass refining are also considered.

Primary processes of the radiation-induced cationic polymerization of aromatic olefins studied by pulse radiolysis

International Nuclear Information System (INIS)

Brede, O.; Boes, J.; Helmstreit, W.; Mehnert, R.

1981-01-01

By pulse radiolysis of solutions of aromatic olefins (styrene, 1-methylstyrene, 1,1-diphenylethylene) in nonpolar solvents (cyclohexane, carbon tetrachloride, n-butyl chloride) the mechanism and kinetics of primary processes of radiation-induced cationic polymerization were investigated. In cyclohexane, radical cations of the olefins are generated by charge transfer from solvent cations (k about 10 11 l mol -1 s -1 ). These cations dimerize in a diffusion-controlled reaction (k approximately 10 10 l mol -1 s -1 ). The next step of chain-growth is slower by 3 to 4 orders of magnitude. Furthermore, in carbon tetrachloride and in n-butyl chloride growing olefin cations are produced by a reaction of the radical cations with the solvent as well as by addition of solvent carbonium ions to the monomer. In strongly acidic aqueous solution of olefins radical cations produced indirectly from hydroxycyclohexadienyl radicals dimerize and react in a subsequent step by deprotonation forming non-saturated dimer radicals. The established reaction mechanism shows that in the case of radiation-induced cationic polymerization it is not possible to define a uniform first step of the chain reaction. (author)

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.

Discovering Chemical Aromaticity Using Fragrant Plants

Science.gov (United States)

Schneider, Tanya L.

2010-01-01

Introductory organic chemistry is often perceived as inaccessible by students. This article describes a method used to link organic chemistry to everyday experience, asking students to explore whether fragrant molecules are also aromatic in the chemical sense. Students were engaged in this activity, excited about their results, and performed well…

Determination of carcinogenic polycyclic aromatic hydrocarbons ...

African Journals Online (AJOL)

Log in or Register to get access to full text downloads. ... collected from the most polluted part of Bangsai river at Saver industrial zone was analyzed for the presence of polycyclic aromatic hydrocarbon, anthracene, by gas chromatography-mass spectrometry (GC-MS). A ... EMAIL FREE FULL TEXT EMAIL FREE FULL TEXT

Aromatic cytokinins in micropropagated potato plants

Czech Academy of Sciences Publication Activity Database

Baroja, F. E.; Aguirreolea, J.; Martínková, Hana; Hanuš, Jan; Strnad, Miroslav

2002-01-01

Roč. 40, č. 3 (2002), s. 217-224 ISSN 0981-9428 R&D Projects: GA MŠk OC 844.10; GA ČR GA301/02/0475 Institutional research plan: CEZ:AV0Z5038910 Keywords : Acclimatization * Aromatic cytokinins * Micropropagation Subject RIV: CE - Biochemistry Impact factor: 1.582, year: 2002

Availability of polycyclic aromatic hydrocarbons from lampblack-impacted soils at former oil-gas plant sites in California, USA.

Science.gov (United States)

Hong, Lei; Luthy, Richard G

2007-03-01

Lampblack-impacted soils at former oil-gas plant sites in California, USA, were characterized to assess the sorption of polycyclic aromatic hydrocarbons (PAHs) and the concentration-dependent effects of a residual oil tar phase on sorption mechanism and availability of PAHs. Nuclear magnetic resonance spectroscopy demonstrated similar aromaticity for both lampblack carbon and the oil tar phase, with pronounced resonance signals in the range of 100 to 150 ppm. Scanning-electron microscopic images revealed a physically distinct oil tar phase, especially at high concentrations in lampblack, which resulted in an organic-like film structure when lampblack particles became saturated with the oil tar. Sorption experiments were conducted on a series of laboratory-prepared lampblack samples to systematically evaluate influences of an oil tar phase on PAH sorption to lampblack. Results indicate that the sorption of PAHs to lampblack exhibits a competition among sorption phases at low oil tar contents when micro- and mesopores are accessible. When the oil tar content increases to more than 5 to 10% by weight, this tar phase fills small pores, reduces surface area, and dominates PAH sorption on lampblack surface. A new PAH partitioning model, Kd = KLB-C(1 - ftar)alpha + ftarKtar (alpha = empirical exponent), incorporates these effects in which the control of PAH partitioning transits from being dominated by sorption in lampblack (KLB-C) to absorption in oil tar (Ktar), depending on the fraction of tar (ftar). This study illustrates the importance of understanding interactions among PAHs, oil tar, and lampblack for explaining the differences in availability of PAHs among site soils and, consequently, for refining site-specific risk assessment and establishing soil cleanup levels.

Aromatics Oxidation and Soot Formation in Flames

Energy Technology Data Exchange (ETDEWEB)

Howard, J. B.; Richter, H.

2005-03-29

This project is concerned with the kinetics and mechanisms of aromatics oxidation and the growth process to polycyclic aromatic hydrocarbons (PAH) of increasing size, soot and fullerenes formation in flames. The overall objective of the experimental aromatics oxidation work is to extend the set of available data by measuring concentration profiles for decomposition intermediates such as phenyl, cyclopentadienyl, phenoxy or indenyl radicals which could not be measured with molecular-beam mass spectrometry to permit further refinement and testing of benzene oxidation mechanisms. The focus includes PAH radicals which are thought to play a major role in the soot formation process while their concentrations are in many cases too low to permit measurement with conventional mass spectrometry. The radical species measurements are used in critical testing and improvement of a kinetic model describing benzene oxidation and PAH growth. Thermodynamic property data of selected species are determined computationally, for instance using density functional theory (DFT). Potential energy surfaces are explored in order to identify additional reaction pathways. The ultimate goal is to understand the conversion of high molecular weight compounds to nascent soot particles, to assess the roles of planar and curved PAH and relationships between soot and fullerenes formation. The specific aims are to characterize both the high molecular weight compounds involved in the nucleation of soot particles and the structure of soot including internal nanoscale features indicative of contributions of planar and/or curved PAH to particle inception.

Ultrafast THz Saturable Absorption in Doped Semiconductors

DEFF Research Database (Denmark)

Turchinovich, Dmitry; Hoffmann, Matthias C.

2011-01-01

We demonstrate ultrafast THz saturable absorption in n-doped semiconductors by nonlinear THz time-domain spectroscopy. This effect is caused by the semiconductor conductivity modulation due to electron heating and satellite-valley scattering in strong THz fields.......We demonstrate ultrafast THz saturable absorption in n-doped semiconductors by nonlinear THz time-domain spectroscopy. This effect is caused by the semiconductor conductivity modulation due to electron heating and satellite-valley scattering in strong THz fields....

On the saturation of astrophysical dynamos

DEFF Research Database (Denmark)

Dorch, Bertil; Archontis, Vasilis

2004-01-01

In the context of astrophysical dynamos we illustrate that the no-cosines flow, with zero mean helicity, can drive fast dynamo action and we study the dynamo's mode of operation during both the linear and non-linear saturation regimes. It turns out that in addition to a high growth rate in the li......In the context of astrophysical dynamos we illustrate that the no-cosines flow, with zero mean helicity, can drive fast dynamo action and we study the dynamo's mode of operation during both the linear and non-linear saturation regimes. It turns out that in addition to a high growth rate...

The viscosity of the refrigerant 1,1-difluoroethane along the saturation line

Science.gov (United States)

van der Gulik, P. S.

1993-07-01

The viscosity coefficient of the refrigerant R152a (1,1-difluoroethane) has been measured along the saturation line both in the saturated liquid and in the saturated vapor. The data have been obtained every 10 K from 243 up to 393 K by means of a vibrating-wire viscometer using the free damped oscillation method. The density along the saturation line was calculated from the equation of state given by Tamatsu et al. with application of the saturated vapor-pressure correlation given by Higashi et al. An interesting result is that in the neighborhood of the critical point, the kinematic viscosity of the saturated liquid seems to coincide with that of the saturated vapor. The results for the saturated liquid are in satisfying agreement with those of Kumagai and Takahashi and of Phillips and Murphy. A comparison of the saturatedvaport data with the unsaturated-vapor data of Takahashi et al. shows some discrepancies.

Exchangeable cations-mediated photodegradation of polycyclic aromatic hydrocarbons (PAHs) on smectite surface under visible light

Energy Technology Data Exchange (ETDEWEB)

Jia, Hanzhong, E-mail: jiahz@ms.xjb.ac.cn [Laboratory of Environmental Sciences and Technology, Xinjiang Technical Institute of Physics & Chemistry, Key Laboratory of Functional Materials and Devices for Special Environments, Chinese Academy of Sciences, Urumqi 830011 (China); Li, Li [Laboratory of Environmental Sciences and Technology, Xinjiang Technical Institute of Physics & Chemistry, Key Laboratory of Functional Materials and Devices for Special Environments, Chinese Academy of Sciences, Urumqi 830011 (China); Chen, Hongxia; Zhao, Yue [Laboratory of Environmental Sciences and Technology, Xinjiang Technical Institute of Physics & Chemistry, Key Laboratory of Functional Materials and Devices for Special Environments, Chinese Academy of Sciences, Urumqi 830011 (China); School of Geology and Mining Engineering, Xinjiang University, Urumqi 830046 (China); Li, Xiyou [Laboratory of Environmental Sciences and Technology, Xinjiang Technical Institute of Physics & Chemistry, Key Laboratory of Functional Materials and Devices for Special Environments, Chinese Academy of Sciences, Urumqi 830011 (China); Wang, Chuanyi, E-mail: cywang@ms.xjb.ac.cn [Laboratory of Environmental Sciences and Technology, Xinjiang Technical Institute of Physics & Chemistry, Key Laboratory of Functional Materials and Devices for Special Environments, Chinese Academy of Sciences, Urumqi 830011 (China)

2015-04-28

Graphical abstract: Roles of exchangeable cations in PAHs photodegradation on clay surafces under visible light. - Highlights: • Photolysis rate are strongly dependent on the type of cations on clay surface. • The strength of “cation–π” interactions governs the photodegradation rate of PAHs. • Several exchangeable cations could cause a shift in the absorption spectrum of PAHs. • Exchangeable cations influence the type and amount of reactive intermediates. - Abstract: Clay minerals saturated with different exchangeable cations are expected to play various roles in photodegradation of polycyclic aromatic hydrocarbons (PAHs) via direct and/or indirect pathways on clay surfaces. In the present study, anthracene and phenanthrene were selected as molecule probes to investigate the roles of exchangeable cations on their photodegradation under visible light irradiation. For five types of cation-modified smectite clays, the photodegradation rate of anthracene and phenanthrene follows the order: Fe{sup 3+} > Al{sup 3+} > Cu{sup 2+} >> Ca{sup 2+} > K{sup +} > Na{sup +}, which is consistent with the binding energy of cation–π interactions between PAHs and exchangeable cations. The result suggests that PAHs photolysis rate depends on cation–π interactions on clay surfaces. Meanwhile, the deposition of anthracene at the Na{sup +}-smectite and K{sup +}-smectite surface favors solar light absorption, resulting in enhanced direct photodecomposition of PAHs. On the other hand, smectite clays saturated with Fe{sup 3+}, Al{sup 3+}, and Cu{sup 2+} are highly photoreactive and can act as potential catalysts giving rise to oxidative radicals such as O{sub 2}{sup −}· , which initiate the transformation of PAHs. The present work provides valuable insights into understanding the transformation and fate of PAHs in the natural soil environment and sheds light on the development of technologies for contaminated land remediation.

Exchangeable cations-mediated photodegradation of polycyclic aromatic hydrocarbons (PAHs) on smectite surface under visible light

International Nuclear Information System (INIS)

Jia, Hanzhong; Li, Li; Chen, Hongxia; Zhao, Yue; Li, Xiyou; Wang, Chuanyi

2015-01-01

Graphical abstract: Roles of exchangeable cations in PAHs photodegradation on clay surafces under visible light. - Highlights: • Photolysis rate are strongly dependent on the type of cations on clay surface. • The strength of “cation–π” interactions governs the photodegradation rate of PAHs. • Several exchangeable cations could cause a shift in the absorption spectrum of PAHs. • Exchangeable cations influence the type and amount of reactive intermediates. - Abstract: Clay minerals saturated with different exchangeable cations are expected to play various roles in photodegradation of polycyclic aromatic hydrocarbons (PAHs) via direct and/or indirect pathways on clay surfaces. In the present study, anthracene and phenanthrene were selected as molecule probes to investigate the roles of exchangeable cations on their photodegradation under visible light irradiation. For five types of cation-modified smectite clays, the photodegradation rate of anthracene and phenanthrene follows the order: Fe 3+ > Al 3+ > Cu 2+ >> Ca 2+ > K + > Na + , which is consistent with the binding energy of cation–π interactions between PAHs and exchangeable cations. The result suggests that PAHs photolysis rate depends on cation–π interactions on clay surfaces. Meanwhile, the deposition of anthracene at the Na + -smectite and K + -smectite surface favors solar light absorption, resulting in enhanced direct photodecomposition of PAHs. On the other hand, smectite clays saturated with Fe 3+ , Al 3+ , and Cu 2+ are highly photoreactive and can act as potential catalysts giving rise to oxidative radicals such as O 2 − · , which initiate the transformation of PAHs. The present work provides valuable insights into understanding the transformation and fate of PAHs in the natural soil environment and sheds light on the development of technologies for contaminated land remediation

Sodium Perborate Oxidation of an Aromatic Amine

Science.gov (United States)

Juestis, Laurence

1977-01-01

Describes an experiment involving the oxidation of aromatic primary amines to the corresponding azo compound; suggests procedures for studying factors that influence the yield of such a reaction, including the choice of solvent and the oxidant-amine ratio. (MLH)

Experimental and numerical study on thermal conductivity of partially saturated unconsolidated sands

Science.gov (United States)

Lee, Youngmin; Keehm, Youngseuk; Kim, Seong-Kyun; Shin, Sang Ho

2016-04-01

A class of problems in heat flow applications requires an understanding of how water saturation affects thermal conductivity in the shallow subsurface. We conducted a series of experiments using a sand box to evaluate thermal conductivity (TC) of partially saturated unconsolidated sands under varying water saturation (Sw). We first saturated sands fully with water and varied water saturation by drainage through the bottom of the sand box. Five water-content sensors were integrated vertically into the sand box to monitor water saturation changes and a needle probe was embedded to measure thermal conductivity of partially saturated sands. The experimental result showed that thermal conductivity decreases from 2.5 W/mK for fully saturated sands to 0.7 W/mK when water saturation is 5%. We found that the decreasing trend is quite non-linear: highly sensitive at very high and low water saturations. However, the boundary effects on the top and the bottom of the sand box seemed to be responsible for this high nonlinearity. We also found that the determination of water saturation is quite important: the saturation by averaging values from all five sensors and that from the sensor at the center position, showed quite different trends in the TC-Sw domain. In parallel, we conducted a pore-scale numerical modeling, which consists of the steady-state two-phase Lattice-Boltzmann simulator and FEM thermal conduction simulator on digital pore geometry of sand aggregation. The simulation results showed a monotonous decreasing trend, and are reasonably well matched with experimental data when using average water saturations. We concluded that thermal conductivity would decrease smoothly as water saturation decreases if we can exclude boundary effects. However, in dynamic conditions, i.e. imbibition or drainage, the thermal conductivity might show hysteresis, which can be investigated with pore-scale numerical modeling with unsteady-state two-phase flow simulators in our future work.

Electromagnetically induced transparency in an open V-type molecular system

International Nuclear Information System (INIS)

Lazoudis, A.; Ahmed, E. H.; Qi, P.; Lyyra, A. M.; Kirova, T.; Huennekens, J.

2011-01-01

We report the experimental observation of electromagnetically induced transparency (EIT) in an inhomogeneously broadened V-type Na 2 molecular system. The experiment is performed with both co- and counterpropagating arrangements for the propagation directions of the coupling and probe laser beams. In our theoretical model we employ the density matrix formalism, as well as perturbative methods for obtaining the probe field absorption profile for both open and closed systems. Simulations of the experimental data show excellent agreement with the predictions derived from the basic theory. Our fluorescent intensity measurements show that, in the copropagating configuration, the EIT plus saturation window depth is about 95%, while under similar conditions in the counterpropagating geometry we observed 40%-45% reduction in the fluorescence signal around the line center. To separate the two simultaneously occurring mechanisms in a V-type system (i.e., EIT and saturation) that are induced by the coupling field, we have carried out theoretical calculations which show that, in the copropagating case, a significant fraction of the depth of the dip is due to the coherent effect of EIT. When the coupling and probe beams are in the counterpropagating configuration, the dip is mostly due to saturation effects alone.

Molecular cloning and expression of gene encoding aromatic amino acid decarboxylase in 'Vidal blanc' grape berries.

Science.gov (United States)

Pan, Qiu-Hong; Chen, Fang; Zhu, Bao-Qing; Ma, Li-Yan; Li, Li; Li, Jing-Ming

2012-04-01

The pleasantly fruity and floral 2-phenylethanol are a dominant aroma compound in post-ripening 'Vidal blanc' grapes. However, to date little has been reported about its synthetic pathway in grapevine. In the present study, a full-length cDNA of VvAADC (encoding aromatic amino acid decarboxylase) was firstly cloned from the berries of 'Vidal blanc', an interspecific hybrid variety of Vitis vinifera × Vitis riparia. This sequence encodes a complete open reading frame of 482 amino acids with a calculated molecular mass of 54 kDa and isoelectric point value (pI) of 5.73. The amino acid sequence deduced shared about 79% identity with that of aromatic L: -amino acid decarboxylases (AADCs) from tomato. Real-time PCR analysis indicated that VvAADC transcript abundance presented a small peak at 110 days after full bloom and then a continuous increase at the berry post-ripening stage, which was consistent with the accumulation of 2-phenylethanol, but did not correspond to the trends of two potential intermediates, phenethylamine and 2-phenylacetaldehyde. Furthermore, phenylalanine still exhibited a continuous increase even in post-ripening period. It is thus suggested that 2-phenylethanol biosynthetic pathway mediated by AADC exists in grape berries, but it has possibly little contribution to a considerable accumulation of 2-phenylethanol in post-ripening 'Vidal blanc' grapes.

The effect of rock electrical parameters on the calculation of reservoir saturation

International Nuclear Information System (INIS)

Li, Xiongyan; Qin, Ruibao; Liu, Chuncheng; Mao, Zhiqiang

2013-01-01

The error in calculating a reservoir saturation caused by the error in the cementation exponent, m, and the saturation exponent, n, should be analysed. In addition, the influence of m and n on the reservoir saturation should be discussed. Based on the Archie formula, the effect of variables m and n on the reservoir saturation is analysed, while the formula for the error in calculating the reservoir saturation, caused by the error in m and n, is deduced, and the main factors affecting the error in reservoir saturation are illustrated. According to the physical meaning of m and n, it can be interpreted that they are two independent parameters, i.e., there is no connection between m and n. When m and n have the same error, the impact of the variables on the calculation of the reservoir saturation should be compared. Therefore, when the errors of m and n are respectively equal to 0.2, 0.4 and 0.6, the distribution range of the errors in calculating the reservoir saturation is analysed. However, in most cases, the error of m and n is about 0.2. When the error of m is 0.2, the error in calculating the reservoir saturation ranges from 0% to 35%. Meanwhile, when the error in n is 0.2, the error in calculating the reservoir saturation is almost always below 5%. On the basis of loose sandstone, medium sandstone, tight sandstone, conglomerate, tuff, breccia, basalt, andesite, dacite and rhyolite, this paper first analyses the distribution range and change amplitude of m and n. Second, the impact of m and n on the calculation of reservoir saturation is elaborated upon. With regard to each lithology, the distribution range and change amplitude of m are greater than those of n. Therefore, compared with n, the effect of m on the reservoir saturation is stronger. The influence of m and n on the reservoir saturation is determined, and the error in calculating the reservoir saturation caused by the error of m and n is calculated. This is theoretically and practically significant for

Soil aquifer treatment of artificial wastewater under saturated conditions

KAUST Repository

Essandoh, H. M K; Tizaoui, Chedly; Mohamed, Mostafa H A; Amy, Gary L.; Brdjanovic, Damir

2011-01-01

A 2000 mm long saturated laboratory soil column was used to simulate soil aquifer treatment under saturated conditions to assess the removal of chemical and biochemical oxygen demand (COD and BOD), dissolved organic carbon (DOC), nitrogen

Saturated Zone Flow and Transport Expert Elicitation Project

Energy Technology Data Exchange (ETDEWEB)

Coppersmith, Kevin J.; Perman, Roseanne C.

1998-01-01

This report presents results of the Saturated Zone Flow and Transport Expert Elicitation (SZEE) project for Yucca Mountain, Nevada. This project was sponsored by the US Department of Energy (DOE) and managed by Geomatrix Consultants, Inc. (Geomatrix), for TRW Environmental Safety Systems, Inc. The DOE's Yucca Mountain Site Characterization Project (referred to as the YMP) is intended to evaluate the suitability of the site for construction of a mined geologic repository for the permanent disposal of spent nuclear fuel and high-level radioactive waste. The SZEE project is one of several that involve the elicitation of experts to characterize the knowledge and uncertainties regarding key inputs to the Yucca Mountain Total System Performance Assessment (TSPA). The objective of the current project was to characterize the uncertainties associated with certain key issues related to the saturated zone system in the Yucca Mountain area and downgradient region. An understanding of saturated zone processes is critical to evaluating the performance of the potential high-level nuclear waste repository at Yucca Mountain. A major goal of the project was to capture the uncertainties involved in assessing the saturated flow processes, including uncertainty in both the models used to represent the physical processes controlling saturated zone flow and transport, and the parameter values used in the models. So that the analysis included a wide range of perspectives, multiple individual judgments were elicited from members of an expert panel. The panel members, who were experts from within and outside the Yucca Mountain project, represented a range of experience and expertise. A deliberate process was followed in facilitating interactions among the experts, in training them to express their uncertainties, and in eliciting their interpretations. The resulting assessments and probability distributions, therefore, provide a reasonable aggregate representation of the knowledge and

Use of graphite layer open tubular (GLOT) in environmental analysis

International Nuclear Information System (INIS)

Bruner, F.; Lattanzi, L.; Borghesi, P.

1996-01-01

Recently it has been developed a series of new capillary columns characterised by the use of graphitized carbon black modified from different amount of liquid phase. The characteristics of these columns, called graphite layer open tubular (GLOT), are described together with their application to the environmental analysis. A specific application of GLOT columns is for the direct analysis of aqueous solutions avoiding solvent extraction procedure. A comparison between a GLOT column and a traditional capillary column, estimating their behaviour after repeated direct injections of aqueous solution sample is written. Some applications regarding the analysis of the atmosphere pollutants, as aliphatic and aromatic hydrocarbons, and their compounds are written too

Adsorption of polycyclic aromatic hydrocarbons on graphene oxides and reduced graphene oxides.

Science.gov (United States)

Sun, Yubing; Yang, Shubin; Zhao, Guixia; Wang, Qi; Wang, Xiangke

2013-11-01

Graphene has attracted increasing attention in multidisciplinary studies because of its unique physical and chemical properties. Herein, the adsorption of polycyclic aromatic hydrocarbons (PAHs), such as naphthalene (NAP), anthracene (ANT), and pyrene (PYR), on reduced graphene oxides (rGOs) and graphene oxides (GOs) as a function of pH, humic acid (HA), and temperature were elucidated by means of a batch technique. For comparison, nonpolar and nonporous graphite were also employed in this study. The increasing of pH from 2 to 11 did not influence the adsorption of PAHs on rGOs, whereas the suppressed adsorption of NAP on rGOs was observed both in the presence of HA and under high-temperature conditions. Adsorption isotherms of PAHs on rGOs were in accordance with the Polanyi-Dubinin-Ashtahhov (PDA) model, providing evidence that pore filling and flat surface adsorption were involved. The saturated adsorbed capacities (in mmol g(-1)) of rGOs for PAHs calculated from the PDA model significantly decreased in the order of NAP>PYR>ANT, which was comparable to the results of theoretical calculations. The pore-filling mechanism dominates the adsorption of NAP on rGOs, but the adsorption mechanisms of ANT and PYR on rGOs are flat surface adsorption. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Sol-gel open tubular ODS columns with reversed electroosmotic flow for capillary electrochromatography.

Science.gov (United States)

Hayes, J D; Malik, A

2001-03-01

Sol-gel chemistry was successfully used for the fabrication of open tubular columns with surface-bonded octadecylsilane (ODS) stationary-phase coating for capillary electrochromatography (OT-CEC). Following column preparations, a series of experiments were performed to investigate the performance of the sol-gel coated ODS columns in OT-CEC. The incorporation of N-octadecyldimethyl[3-(trimethoxysilyl)propyl]ammonium chloride as one of the sol-gel precursors played an important role in the electrochromatographic performance of the prepared columns. This chemical reagent possesses a chromatographically favorable, bonded ODS moiety, in conjunction with three methoxy groups allowing for sol-gel reactivity. In addition, a positively charged nitrogen atom is present in the molecular structure of this reagent and provides a positively charged capillary surface responsible for the reversed electroosmotic flow (EOF) in the columns during CEC operation. Comparative studies involving the EOF within such sol-gel ODS coated and uncoated capillaries were performed using acetonitrile and methanol as the organic modifiers in the mobile phase. The use of a deactivating reagent, phenyldimethylsilane, in the sol-gel solution was evaluated. Efficiency values of over 400,000 theoretical plates per meter were achieved in CEC on a 64 cm x 25 microm i.d. sol-gel ODS open tubular column. Test mixtures of polycyclic aromatic hydrocarbons, benzene derivatives, and aromatic aldehydes and ketones were used to evaluate the CEC performances of both nondeactivated and deactivated open tubular sol-gel columns. The effects of mobile-phase organic modifier contents and pH on EOF in such columns were evaluated. The prepared sol-gel ODS columns are characterized by switchable electroosmotic flow. A pH value of approximately 8.5 was found correspond to the isoelectric point for the prepared sol-gel ODS coatings.

Prediction of saturation using the carbon/oxygen log

Energy Technology Data Exchange (ETDEWEB)

Horner, S.C.; Sanyal, S.K.

1984-09-01

This project investigates the nature of Dresser-Atlas Carbon/Oxygen Log gamma ray spectra. It presents an attempt to improve the signal-to-noise ratio of the C/O and Si/Ca parameters used by Dresser-Atlas to determine oil saturation. Two techniques were developed to subtract the Compton background from the spectral data. Neither technique significantly improves the accuracy of the cased-hole prediction of oil saturation. However, it has been shown that it is possible to develop a satisfactory correlation for oil saturation on a well-by-well basis. This correlation can then be used to generate oil-in-place from the C/O and Si/Ca ratios. 17 references.

SIMULTANEOUS DTERMINATION OF CHROMATE AND AROMATIC HYDROCARBONS IN ENVIRONMENTAL SAMPLES BY CAPILLARY ELECTROPHORESIS

Science.gov (United States)

An analytical method was developed to determine simultaneously, the inorganic anion CrO2-4, and organic aromatic compounds including benzoate, 2-Cl-benzoate, phenol, m-cresol and o-/p-cresol by capillary electrophoresis (CE). Chromate and the aromatics were separated in a relativ...

Analysis of some aromatic hydrocarbons in a benzene-soluble bitumen from Green River shale

Energy Technology Data Exchange (ETDEWEB)

Anders, D.E.; Doolittle, F.G.; Robinson, W.E.

1973-01-01

The hydrocarbon content of an aromatic fraction, isolated from the bitumen of Green River shale, was studied by mass spectrometry, infra-red spectrometry, gas chromatography and a dehydrogenation technique. The hydrocarbon types and their distribution in this aromatic fraction, as determined by mass spectrometry, are presented. The carbon-number range, empirical formulas and quantity of each compound in the major types are reported. Mass spectra of several compounds and homologous mixtures of compounds isolated from the aromatic fraction are also given.

Input saturation in nonlinear multivariable processes resolved by nonlinear decoupling

Directory of Open Access Journals (Sweden)

Jens G. Balchen

1995-04-01

Full Text Available A new method is presented for the resolution of the problem of input saturation in nonlinear multivariable process control by means of elementary nonlinear decoupling (END. Input saturation can have serious consequences particularly in multivariable control because it may lead to very undesirable system behaviour and quite often system instability. Many authors have searched for systematic techniques for designing multivariable control systems in which saturation may occur in any of the control variables (inputs, manipulated variables. No generally accepted method seems to have been presented so far which gives a solution in closed form. The method of elementary nonlinear decoupling (END can be applied directly to the case of saturation control variables by deriving as many control strategies as there are combinations of saturating control variables. The method is demonstrated by the multivariable control of a simulated Fluidized Catalytic Cracker (FCC with very convincing results.

POLYCYCLIC AROMATIC HYDROCARBON CONTAMINATION LEVELS IN COLLECTED SAMPLES FROM VICINITY OF A HIGHWAY

Directory of Open Access Journals (Sweden)

S. V. Samimi ، R. Akbari Rad ، F. Ghanizadeh

2009-01-01

Full Text Available Tehran as the biggest city of Iran with a population of more than 10 millions has potentially high pollutant exposures of gas oil and gasoline combustion from vehicles that are commuting in the highways every day. The vehicle exhausts contain polycyclic aromatic hydrocarbons, which are produced by incomplete combustion and can be directly deposited in the environment. In the present study, the presence of polycyclic aromatic hydrocarbons contamination in the collected samples of a western highway in Tehran was investigated. The studied location was a busy highway in Tehran. High performance liquid chromatography equipped with florescence detector was used for determination of polycyclic aromatic hydrocarbons concentrations in the studied samples. Total concentration of the ten studied polycyclic aromatic hydrocarbons compounds ranged from 11107 to 24342 ng/g dry weight in the dust samples and increased from 164 to 2886 ng/g dry weight in the soil samples taken from 300 m and middle of the highway, respectively. Also the average of Σ PAHs was 1759 ng/L in the water samples of pools in parks near the highway. The obtained results indicated that polycyclic aromatic hydrocarbons contamination levels were very high in the vicinity of the highway.

Beyond the Natural Proteome: Nondegenerate Saturation Mutagenesis-Methodologies and Advantages.

Science.gov (United States)

Ferreira Amaral, M M; Frigotto, L; Hine, A V

2017-01-01

Beyond the natural proteome, high-throughput mutagenesis offers the protein engineer an opportunity to "tweak" the wild-type activity of a protein to create a recombinant protein with required attributes. Of the various approaches available, saturation mutagenesis is one of the core techniques employed by protein engineers, and in recent times, nondegenerate saturation mutagenesis is emerging as the approach of choice. This review compares the current methodologies available for conducting nondegenerate saturation mutagenesis with traditional, degenerate saturation and briefly outlines the options available for screening the resulting libraries, to discover a novel protein with the required activity and/or specificity. © 2017 Elsevier Inc. All rights reserved.

Transport of terrigenous polycyclic aromatic hydrocarbons affected by the coastal upwelling in the northwestern coast of South China Sea.

Science.gov (United States)

Ya, Miaolei; Wu, Yuling; Li, Yongyu; Wang, Xinhong

2017-10-01

Coastal upwelling prevails in the coast of Hainan Island, the northern South China Sea (SCS) during summer. We studied the influences of the upwelling on the horizontal and vertical transport of terrigenous polycyclic aromatic hydrocarbons (PAHs). PAHs in dissolved and suspended particulate phase of water samples were determined in the upper (depth  10 m). PAH levels decreased sharply from inshore to offshore to open sea. The results showed that terrestrial input was the main source of coastal PAHs. Perylene, an important indicator of land plant-derived PAH, showed the significant correlation with PAHs (p sea. Copyright © 2017 Elsevier Ltd. All rights reserved.

Calcium phosphate saturation in the western Bay of Bengal

Digital Repository Service at National Institute of Oceanography (India)

Naik, S.; Reddy, C.V.G.

Temperature, inorganic phosphate concentration and pH seem to be the major factors influencing the degree of saturation of calcium phosphate in sea water. Two water regions can be demarcated in the study area based on the saturation patterns...

Optimal oxygen saturation in premature infants

Directory of Open Access Journals (Sweden)

Meayoung Chang

2011-09-01

Full Text Available There is a delicate balance between too little and too much supplemental oxygen exposure in premature infants. Since underuse and overuse of supplemental oxygen can harm premature infants, oxygen saturation levels must be monitored and kept at less than 95% to prevent reactive oxygen species-related diseases, such as retinopathy of prematurity and bronchopulmonary dysplasia. At the same time, desaturation below 80 to 85% must be avoided to prevent adverse consequences, such as cerebral palsy. It is still unclear what range of oxygen saturation is appropriate for premature infants; however, until the results of further studies are available, a reasonable target for pulse oxygen saturation (SpO2 is 90 to 93% with an intermittent review of the correlation between SpO2 and the partial pressure of arterial oxygen tension (PaO2. Because optimal oxygenation depends on individuals at the bedside making ongoing adjustments, each unit must define an optimal target range and set alarm limits according to their own equipment or conditions. All staff must be aware of these values and adjust the concentration of supplemental oxygen frequently.

Relation between electric properties and water saturation for hematitic sandstone with frequency

Directory of Open Access Journals (Sweden)

M. M. Gomaa

2008-06-01

Full Text Available This paper focuses on the effect of water saturation on A. C. electrical conductivity and dielectric constant of fully and partially saturated hematitic sandstone sample (Aswan area, Egypt. The saturation of the sample was changed from partial to full saturation. Complex resistivity measurements at room temperature (~16°C, were performed in the frequency range from 0.1 Hz to 100 KHz. Experimental electrical spectra indicate, generally, that the electrical conductivity and dielectric constant vary strongly with water saturations and frequency. The low frequency electrical conductivity and dielectric constant are mainly controlled by surface conduction and polarization of the electrical double layer. The behaviour of the electrical conductivity and dielectric constant, with increasing water content, were argued to the orientational polarization of bound water for very low saturations, displacement of the excess surface charges for relatively low saturations, and free exchange of excess ions in double layer with the bulk electrolyte and generation of transient diffusion potentials which lag behind the applied field for high saturations.

Transport and fate of Herbaspirillum chlorophenolicum FA1 in saturated porous media

Science.gov (United States)

Li, X.; Xu, H.; Wu, J.

2016-12-01

For the bioremediation of contaminated groundwater, sufficient dispersal of functional microorganisms is one of the most important factors that determine the remediation efficiency. There are extensive studies on the transport of microbes in porous media, while most of them focus on pathogenic bacteria and little attention has been given toward functional bacteria that being used in bioremediation process. Therefore, accurate knowledge of the mechanisms that govern the transport and distribution of such bacteria in groundwater is needed to develop efficient treatment techniques. Herbaspirillum chlorophenolicum FA1, a pure bacterial strain capable of absorbing heavy metals and degrading polycyclic aromatic hydrocarbons (PAHs), was selected as the representative functional bacterium in this study. A series of batch and column experiments were conducted to investigate the transport and deposition behavior of strain FA1 in saturated porous media. The effects of physical (grain size), chemical (ionic strength, humic acid), and biological factors (living/dead cells) were studied in detail. In addition, numerical simulations of breakthrough curve (BTC) data were also performed for information gathering. Results of this study could advance our understanding of functional bacteria transport and help to develop successful bioremediation strategies. This work was financially supported by the National Natural Science Foundation of China -Xinjiang Project (U1503282), the National Natural Science Foundation of China (41030746, 41102148), and the Natural Science Foundation of Jiangsu Province (BK20151385). Keywords: Herbaspirillum chlorophenolicum FA1, bacteria, porous media, transport, modeling

Polycyclic Aromatic Hydrocarbons (PAHs) Levels in Two ...

African Journals Online (AJOL)

Polycyclic aromatic hydrocarbons (PAHs) concentrations were measured by gas chromatography with flame ionization detector (GC/FID) in two fish species, Sardinella maderensis (Flat sardinella) and Galeoides decadactylus (Lesser African threadfin or Shine-nose or Common threadfin) from Ghanaian coastal waters and ...

Microbial platform for production of aromatic compounds

DEFF Research Database (Denmark)

Skovbjerg, Christine Alexandra Egaa; Olsen, Kresten Jon Kromphardt; Larsen, Thomas Ostenfeld

2017-01-01

Polyketides form the basic building blocks of numerous natural products, which are in use in pharmaceuticals, food additives and other fine chemicals. Many of these polyketides possess very specific cyclic and aromatic conformations. The programmable platform we aim to create will be able...

Numerical Study of Frequency-dependent Seismoelectric Coupling in Partially-saturated Porous Media

Directory of Open Access Journals (Sweden)

Djuraev Ulugbek

2017-01-01

Full Text Available The seismoelectric phenomenon associated with propagation of seismic waves in fluid-saturated porous media has been studied for many decades. The method has a great potential to monitor subsurface fluid saturation changes associated with production of hydrocarbons. Frequency of the seismic source has a significant impact on measurement of the seismoelectric effects. In this paper, the effects of seismic wave frequency and water saturation on the seismoelectric response of a partially-saturated porous media is studied numerically. The conversion of seismic wave to electromagnetic wave was modelled by extending the theoretically developed seismoelectric coupling coefficient equation. We assumed constant values of pore radius and zeta-potential of 80 micrometers and 48 microvolts, respectively. Our calculations of the coupling coefficient were conducted at various water saturation values in the frequency range of 10 kHz to 150 kHz. The results show that the seismoelectric coupling is frequency-dependent and decreases exponentially when frequency increases. Similar trend is seen when water saturation is varied at different frequencies. However, when water saturation is less than about 0.6, the effect of frequency is significant. On the other hand, when the water saturation is greater than 0.6, the coupling coefficient shows monotonous trend when water saturation is increased at constant frequency.

Effect of drying conditions on drying kinetics and quality of aromatic Pandanus amaryllifolius leaves

OpenAIRE

Rayaguru, Kalpana; Routray, Winny

2010-01-01

Pandanus amaryllifolius is a plant with aromatic leaves, which impart the characteristic flavour of aromatic rice. The quality of aromatic Pandanus leaves dried at low temperature (35 °C) and low RH (27%) in a heat pump dryer was evaluated and compared with those obtained from hot air drying at 45 °C. Thin-layer drying kinetics has been studied for both the conditions. To determine the kinetic parameters, the drying data were fitted to various semi-theoretical models. The goodness of fit was ...

CT-scan-monitored electrical-resistivity measurements show problems achieving homogeneous saturation

International Nuclear Information System (INIS)

Sprunt, E.S.; Davis, R.M.; Muegge, E.L.; Desai, K.P.

1991-01-01

This paper reports on x-ray computerized tomography (CT) scans obtained during measurement of the electrical resistivity of core samples which revealed some problems in obtaining uniform saturation along the lengths of the samples. The electrical resistivity of core samples is measured as a function of water saturation to determine the saturation exponent used in electric-log interpretation. An assumption in such tests is that the water saturation is uniformly distributed. Failure of this assumption can result in errors in the determination of the saturation exponent. Three problems were identified in obtaining homogeneous water saturation in two samples of a Middle Eastern carbonate grainstone: a stationary front formed in one sample at 1-psi oil/brine capillary pressure, a moving front formed at oil/brine capillary pressure ≤4 psi in samples tested in fresh mixed-wettability and cleaned water-wet states, and the heterogeneous fluid distribution caused by a rapidly moving front did not dissipate when the capillary pressure was eliminated in the samples

Law of nonlinear flow in saturated clays and radial consolidation

Institute of Scientific and Technical Information of China (English)

无

2007-01-01

It was derived that micro-scale amount level of average pore radius of clay changed from 0.01 to 0.1 micron by an equivalent concept of flow in porous media. There is good agreement between the derived results and test ones. Results of experiments show that flow in micro-scale pore of saturated clays follows law of nonlinear flow. Theoretical analyses demonstrate that an interaction of solid-liquid interfaces varies inversely with permeability or porous radius. The interaction is an important reason why nonlinear flow in saturated clays occurs. An exact mathematical model was presented for nonlinear flow in micro-scale pore of saturated clays. Dimension and physical meanings of parameters of it are definite. A new law of nonlinear flow in saturated clays was established. It can describe characteristics of flow curve of the whole process of the nonlinear flow from low hydraulic gradient to high one. Darcy law is a special case of the new law. A mathematical model was presented for consolidation of nonlinear flow in radius direction in saturated clays with constant rate based on the new law of nonlinear flow. Equations of average mass conservation and moving boundary, and formula of excess pore pressure distribution and average degree of consolidation for nonlinear flow in saturated clay were derived by using an idea of viscous boundary layer, a method of steady state in stead of transient state and a method of integral of an equation. Laws of excess pore pressure distribution and changes of average degree of consolidation with time were obtained. Results show that velocity of moving boundary decreases because of the nonlinear flow in saturated clay. The results can provide geology engineering and geotechnical engineering of saturated clay with new scientific bases. Calculations of average degree of consolidation of the Darcy flow are a special case of that of the nonlinear flow.

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 ...

Influence of activated carbon surface acidity on adsorption of heavy metal ions and aromatics from aqueous solution

International Nuclear Information System (INIS)

Sato, Sanae; Yoshihara, Kazuya; Moriyama, Koji; Machida, Motoi; Tatsumoto, Hideki

2007-01-01

Adsorption of toxic heavy metal ions and aromatic compounds onto activated carbons of various amount of surface C-O complexes were examined to study the optimum surface conditions for adsorption in aqueous phase. Cadmium(II) and zinc(II) were used as heavy metal ions, and phenol and nitrobenzene as aromatic compounds, respectively. Activated carbon was de-ashed followed by oxidation with nitric acid, and then it was stepwise out-gassed in helium flow up to 1273 K to gradually remove C-O complexes introduced by the oxidation. The oxidized activated carbon exhibited superior adsorption for heavy metal ions but poor performance for aromatic compounds. Both heavy metal ions and aromatics can be removed to much extent by the out-gassed activated carbon at 1273 K. Removing C-O complexes, the adsorption mechanisms would be switched from ion exchange to Cπ-cation interaction for the heavy metals adsorption, and from some kind of oxygen-aromatics interaction to π-π dispersion for the aromatics

Measurement and prediction of aromatic solute distribution coefficients for aqueous-organic solvent systems. Final report

Energy Technology Data Exchange (ETDEWEB)

Campbell, J.R.; Luthy, R.G.

1984-06-01

Experimental and modeling activities were performed to assess techniques for measurement and prediction of distribution coefficients for aromatic solutes between water and immiscible organic solvents. Experiments were performed to measure distribution coefficients in both clean water and wastewater systems, and to assess treatment of a wastewater by solvent extraction. The theoretical portions of this investigation were directed towards development of techniques for prediction of solute-solvent/water distribution coefficients. Experiments were performed to assess treatment of a phenolic-laden coal conversion wastewater by solvent extraction. The results showed that solvent extraction for recovery of phenolic material offered several wastewater processing advantages. Distribution coefficients were measured in clean water and wastewater systems for aromatic solutes of varying functionality with different solvent types. It was found that distribution coefficients for these compounds in clean water systems were not statistically different from distribution coefficients determined in a complex coal conversion process wastewater. These and other aromatic solute distribution coefficient data were employed for evaluation of modeling techniques for prediction of solute-solvent/water distribution coefficients. Eight solvents were selected in order to represent various chemical classes: toluene and benzene (aromatics), hexane and heptane (alkanes), n-octanol (alcohols), n-butyl acetate (esters), diisopropyl ether (ethers), and methylisobutyl ketone (ketones). The aromatic solutes included: nonpolar compounds such as benzene, toluene and naphthalene, phenolic compounds such as phenol, cresol and catechol, nitrogenous aromatics such as aniline, pyridine and aminonaphthalene, and other aromatic solutes such as naphthol, quinolinol and halogenated compounds. 100 references, 20 figures, 34 tables.

Color and emotion: effects of hue, saturation, and brightness.

Science.gov (United States)

Wilms, Lisa; Oberfeld, Daniel

2017-06-13

Previous studies on emotional effects of color often failed to control all the three perceptual dimensions of color: hue, saturation, and brightness. Here, we presented a three-dimensional space of chromatic colors by independently varying hue (blue, green, red), saturation (low, medium, high), and brightness (dark, medium, bright) in a factorial design. The 27 chromatic colors, plus 3 brightness-matched achromatic colors, were presented via an LED display. Participants (N = 62) viewed each color for 30 s and then rated their current emotional state (valence and arousal). Skin conductance and heart rate were measured continuously. The emotion ratings showed that saturated and bright colors were associated with higher arousal. The hue also had a significant effect on arousal, which increased from blue and green to red. The ratings of valence were the highest for saturated and bright colors, and also depended on the hue. Several interaction effects of the three color dimensions were observed for both arousal and valence. For instance, the valence ratings were higher for blue than for the remaining hues, but only for highly saturated colors. Saturated and bright colors caused significantly stronger skin conductance responses. Achromatic colors resulted in a short-term deceleration in the heart rate, while chromatic colors caused an acceleration. The results confirm that color stimuli have effects on the emotional state of the observer. These effects are not only determined by the hue of a color, as is often assumed, but by all the three color dimensions as well as their interactions.

Evidence for a strong sulfur-aromatic interaction derived from crystallographic data.

Science.gov (United States)

Zauhar, R J; Colbert, C L; Morgan, R S; Welsh, W J

2000-03-01

We have uncovered new evidence for a significant interaction between divalent sulfur atoms and aromatic rings. Our study involves a statistical analysis of interatomic distances and other geometric descriptors derived from entries in the Cambridge Crystallographic Database (F. H. Allen and O. Kennard, Chem. Design Auto. News, 1993, Vol. 8, pp. 1 and 31-37). A set of descriptors was defined sufficient in number and type so as to elucidate completely the preferred geometry of interaction between six-membered aromatic carbon rings and divalent sulfurs for all crystal structures of nonmetal-bearing organic compounds present in the database. In order to test statistical significance, analogous probability distributions for the interaction of the moiety X-CH(2)-X with aromatic rings were computed, and taken a priori to correspond to the null hypothesis of no significant interaction. Tests of significance were carried our pairwise between probability distributions of sulfur-aromatic interaction descriptors and their CH(2)-aromatic analogues using the Smirnov-Kolmogorov nonparametric test (W. W. Daniel, Applied Nonparametric Statistics, Houghton-Mifflin: Boston, New York, 1978, pp. 276-286), and in all cases significance at the 99% confidence level or better was observed. Local maxima of the probability distributions were used to define a preferred geometry of interaction between the divalent sulfur moiety and the aromatic ring. Molecular mechanics studies were performed in an effort to better understand the physical basis of the interaction. This study confirms observations based on statistics of interaction of amino acids in protein crystal structures (R. S. Morgan, C. E. Tatsch, R. H. Gushard, J. M. McAdon, and P. K. Warme, International Journal of Peptide Protein Research, 1978, Vol. 11, pp. 209-217; R. S. Morgan and J. M. McAdon, International Journal of Peptide Protein Research, 1980, Vol. 15, pp. 177-180; K. S. C. Reid, P. F. Lindley, and J. M. Thornton, FEBS

Catalytic synthesis of aromatic diisocyanates by means of carbonylation of nitrocompounds with carbon monoxide

Energy Technology Data Exchange (ETDEWEB)

Nefedov, B K; Manov-Yuvenskii, V I; Khoshdurdev, Kh O; Novikov, S S [AN SSSR, Moscow. Inst. Organicheskoj Khimii

1977-02-11

The development of an active and selective heterogeneous catalyst for synthesis of aromatic diisocyanates has been studied. The catalytic ability of the catalyst PdO-MoO/sub 3/-Fe/sub 2/O/sub 3/ deposited on ..gamma..-Al/sub 2/O/sub 3/ has been investigated in the reactions of carbonylation of aromatic dinitrocompounds with carbon oxide. The effect of the catalyst composition, method of catalyst production, reaction temperature and pressure on the catalytic ability have been studied. It has been established that the catalyst PdO-MoO/sub 3/-Fe/sub 2/O/sub 3/(2-6:1:1) deposited on ..gamma..-Al/sub 2/O/sub 3/ is highly active and selective in the reactions of carbonilation of aromatic dinitrocompounds at 210 deg and 300 atm. It has been used for synthesis of aromatic diisocyanates in yield 32-75%.

The reproductive and developmental toxicity of High Flash Aromatic Naphtha.

Science.gov (United States)

McKee, R H; Wong, Z A; Schmitt, S; Beatty, P; Swanson, M; Schreiner, C A; Schardein, J L

1990-01-01

Catalytic reforming is a refining process that converts naphthenes to aromatics by dehydrogenation to make higher octane gasoline blending components. A portion of this wide boiling range hydrocarbon stream can be separated by distillation and used for other purposes. One such application is a mixture of predominantly 9-carbon aromatic molecules (C9 aromatics, primarily isomers of ethyltoluene and trimethylbenzene), which is removed and used as a solvent--High Flash Aromatic Naphtha. A program was initiated to assess the toxicological properties of High Flash Aromatic Naphtha since there may be human exposure through inhalation or external body contact. The current study was conducted to assess the potential for developmental toxicity in the mouse and for reproductive toxicity in the rat. In the developmental toxicity study in CD-1 mice, exposure of dams by inhalation to near lethal levels (1500 ppm) resulted in fetal mortality, reduced weight, delayed ossification, and an increased incidence of cleft palate. At 500 ppm, a level at which maternal weight gain was slightly reduced, fetal weight gain was also reduced, but there was no other evidence of developmental effects. The lowest exposure level (100 ppm) did not cause any maternal or developmental toxicity. There was no consistent evidence of reproductive toxicity in rats, even at exposure levels which resulted in significantly reduced parental weight gain. In addition, when parental exposure was stopped on GD (gestation day) 20, birth weights as well as postnatal survival were generally similar to control values, even in the 1500 ppm exposure group. Postnatal weight gain was also similar to controls early in weaning, but, if maternal exposure was reinitiated, weight gain was reduced in the high exposure group. However, when exposure was continued until delivery, pups in the high exposure group exhibited reduced litter size, birth weight and poor survival. Thus it was likely that the reduction in fetal weight

The Aspergillus niger faeB gene encodes a second feruloyl esterase involved in pectin and xylan degradation and is specifically induced in the presence of aromatic compounds.

Science.gov (United States)

de Vries, Ronald P; vanKuyk, Patricia A; Kester, Harry C M; Visser, Jaap

2002-04-15

The faeB gene encoding a second feruloyl esterase from Aspergillus niger has been cloned and characterized. It consists of an open reading frame of 1644 bp containing one intron. The gene encodes a protein of 521 amino acids that has sequence similarity to that of an Aspergillus oryzae tannase. However, the encoded enzyme, feruloyl esterase B (FAEB), does not have tannase activity. Comparison of the physical characteristics and substrate specificity of FAEB with those of a cinnamoyl esterase from A. niger [Kroon, Faulds and Williamson (1996) Biotechnol. Appl. Biochem. 23, 255-262] suggests that they are in fact the same enzyme. The expression of faeB is specifically induced in the presence of certain aromatic compounds, but not in the presence of other constituents present in plant-cell-wall polysaccharides such as arabinoxylan or pectin. The expression profile of faeB in the presence of aromatic compounds was compared with the expression of A. niger faeA, encoding feruloyl esterase A (FAEA), and A. niger bphA, the gene encoding a benzoate-p-hydroxylase. All three genes have different subsets of aromatic compounds that induce their expression, indicating the presence of different transcription activating systems in A. niger that respond to aromatic compounds. Comparison of the activity of FAEA and FAEB on sugar-beet pectin and wheat arabinoxylan demonstrated that they are both involved in the degradation of both polysaccharides, but have opposite preferences for these substrates. FAEA is more active than FAEB towards wheat arabinoxylan, whereas FAEB is more active than FAEA towards sugar-beet pectin.

Quantitative 1D saturation profiles on chalk by NMR

DEFF Research Database (Denmark)

Olsen, Dan; Topp, Simon; Stensgaard, Anders

1996-01-01

Quantitative one-dimensional saturation profiles showing the distribution of water and oil in chalk core samples are calculated from NMR measurements utilizing a 1D CSI spectroscopy pulse sequence. Saturation profiles may be acquired under conditions of fluid flow through the sample. Results reveal...

Photocatalytic oxidation of aromatic amines using MnO2@g-C3N4

Data.gov (United States)

U.S. Environmental Protection Agency — An efficient and direct oxidation of aromatic amines to aromatic azo-compounds has been achieved using a MnO2@g-C3N4 catalyst under visible light as a source of...

UV saturable absorber for short-pulse KrF laser systems.

Science.gov (United States)

Nishioka, H; Kuranishi, H; Ueda, K; Takuma, H

1989-07-01

A derivative of the linear tricyclic compound, acridine, is shown to be useful as a saturable absorber for short-pulse KrF lasers. The saturation characteristics and absorption recovery of a methanol solution of acridine for a 20-psec KrF laser pulse are reported. We obtain a saturation fluence of 1.2 mJ/cm(2) and a ratio of the primary to the excited absorption cross section of 6.25:1.

High Speed Liquid Chromatographic Determination of Total Aromatics in Enamel and Lacquer Solvents.

Science.gov (United States)

Esposito, G. G.

Aromatic solvents possess the strongest solvency of the hydrogen types, but various air pollution control districts have established maximum limits on the amount that may be present in organic coatings. In the proposed procedure, high efficiency liquid chromatography is used to determine total aromatics in enamels and lacquer thinners, their…

Repulsion-based model for contact angle saturation in electrowetting.

Science.gov (United States)

Ali, Hassan Abdelmoumen Abdellah; Mohamed, Hany Ahmed; Abdelgawad, Mohamed

2015-01-01

We introduce a new model for contact angle saturation phenomenon in electrowetting on dielectric systems. This new model attributes contact angle saturation to repulsion between trapped charges on the cap and base surfaces of the droplet in the vicinity of the three-phase contact line, which prevents these surfaces from converging during contact angle reduction. This repulsion-based saturation is similar to repulsion between charges accumulated on the surfaces of conducting droplets which causes the well known Coulombic fission and Taylor cone formation phenomena. In our model, both the droplet and dielectric coating were treated as lossy dielectric media (i.e., having finite electrical conductivities and permittivities) contrary to the more common assumption of a perfectly conducting droplet and perfectly insulating dielectric. We used theoretical analysis and numerical simulations to find actual charge distribution on droplet surface, calculate repulsion energy, and minimize energy of the total system as a function of droplet contact angle. Resulting saturation curves were in good agreement with previously reported experimental results. We used this proposed model to predict effect of changing liquid properties, such as electrical conductivity, and system parameters, such as thickness of the dielectric layer, on the saturation angle, which also matched experimental results.

Nitration of naphthalene and remarks on the mechanism of electrophilic aromatic nitration*

Science.gov (United States)

Olah, George A.; Narang, Subhash C.; Olah, Judith A.

1981-01-01

Naphthalene was nitrated with a variety of nitrating agents. Comparison of data with Perrin's electrochemical nitration [Perrin, C. L. (1977) J. Am. Chem. Soc. 99, 5516-5518] shows that nitration of naphthalene gives an α-nitronaphthalene to β-nitronaphthalene ratio that varies between 9 and 29 and is thus not constant. Perrin's data, therefore, are considered to be inconclusive evidence for the proposed one-electron transfer mechanism for the nitration of naphthalene and other reactive aromatics. Moodie and Schoefield [Hoggett, J. G., Moodie, R. B., Penton, J. R. & Schoefield, K. (1971) Nitration and Aromatic Reactivity (Cambridge Univ. Press, London)], as well as Perrin, independently concluded that, in the general scheme of nitration of reactive aromatics, there is the necessity to introduce into the classical Ingold mechanism an additional step involving a distinct intermediate preceding the formation of the Wheland intermediate (σ complexes). This view coincides with our two-step mechanistic picture [Kuhn, S. J. & Olah, G. A. (1961) J. Am. Chem. Soc. 83, 4564-4571] of the nitronium salt nitration of aromatic hydrocarbons (including benzene and toluene), in which low substrate selectivity but high positional selectivity was found, indicating the independence of substrate from positional selectivity. PMID:16593026

Nitration of naphthalene and remarks on the mechanism of electrophilic aromatic nitration.

Science.gov (United States)

Olah, G A; Narang, S C; Olah, J A

1981-06-01

Naphthalene was nitrated with a variety of nitrating agents. Comparison of data with Perrin's electrochemical nitration [Perrin, C. L. (1977) J. Am. Chem. Soc. 99, 5516-5518] shows that nitration of naphthalene gives an alpha-nitronaphthalene to beta-nitronaphthalene ratio that varies between 9 and 29 and is thus not constant. Perrin's data, therefore, are considered to be inconclusive evidence for the proposed one-electron transfer mechanism for the nitration of naphthalene and other reactive aromatics. Moodie and Schoefield [Hoggett, J. G., Moodie, R. B., Penton, J. R. & Schoefield, K. (1971) Nitration and Aromatic Reactivity (Cambridge Univ. Press, London)], as well as Perrin, independently concluded that, in the general scheme of nitration of reactive aromatics, there is the necessity to introduce into the classical Ingold mechanism an additional step involving a distinct intermediate preceding the formation of the Wheland intermediate (sigma complexes). This view coincides with our two-step mechanistic picture [Kuhn, S. J. & Olah, G. A. (1961) J. Am. Chem. Soc. 83, 4564-4571] of the nitronium salt nitration of aromatic hydrocarbons (including benzene and toluene), in which low substrate selectivity but high positional selectivity was found, indicating the independence of substrate from positional selectivity.

Extreme halophilic alcohol dehydrogenase mediated highly efficient syntheses of enantiopure aromatic alcohols.

Science.gov (United States)

Alsafadi, Diya; Alsalman, Safaa; Paradisi, Francesca

2017-11-07

Enzymatic synthesis of enantiopure aromatic secondary alcohols (including substituted, hetero-aromatic and bicyclic structures) was carried out using halophilic alcohol dehydrogenase ADH2 from Haloferax volcanii (HvADH2). This enzyme showed an unprecedented substrate scope and absolute enatioselectivity. The cofactor NADPH was used catalytically and regenerated in situ by the biocatalyst, in the presence of 5% ethanol. The efficiency of HvADH2 for the conversion of aromatic ketones was markedly influenced by the steric and electronic factors as well as the solubility of ketones in the reaction medium. Furthermore, carbonyl stretching band frequencies ν (C[double bond, length as m-dash]O) have been measured for different ketones to understand the effect of electron withdrawing or donating properties of the ketone substituents on the reaction rate catalyzed by HvADH2. Good correlation was observed between ν (C[double bond, length as m-dash]O) of methyl aryl-ketones and the reaction rate catalyzed by HvADH2. The enzyme catalyzed the reductions of ketone substrates on the preparative scale, demonstrating that HvADH2 would be a valuable biocatalyst for the preparation of chiral aromatic alcohols of pharmaceutical interest.

Effects of gasoline aromatic content on emissions of volatile organic compounds and aldehydes from a four-stroke motorcycle.

Science.gov (United States)

Yao, Yung-Chen; Tsai, Jiun-Horng

2013-01-01

A new four-stroke carburettor motorcycle engine without any engine adjustments was used to study the impact of fuel aromatic content on the exhaust emissions of organic air pollutants (volatile organic compounds and carbonyls). Three levels of aromatic content, i.e. 15, 25, and 50% (vol.) aromatics mixed with gasoline were tested. The emissions of aromatic fuel were compared with those of commercial unleaded gasoline. The results indicated that the A 15 (15 vol% aromatics in gasoline) fuel exhibited the greatest total organic emission improvement among these three aromatic fuels as compared with commercial gasoline, reaching 59%. The highest emission factors of alkanes, alkenes, and carbonyl groups appeared in the reference fuel (RF) among all of the test fuels. A 15 showed the highest emission reduction in alkanes (73%), aromatics (36%), and carbonyls (28%), as compared to those of the RF. The highest emission reduction ofalkenes was observed when using A25 as fuel. A reduction in fuel aromatic content from 50 to 25 and 15 vol% in gasoline decreased benzene and toluene emissions, but increased the aldehyde emissions. In general, the results showed that the highest emission reductions for the most of measured organic pollutants appeared when using A 15 as the fuel.

Longitudinal Absolute Stability of a BWB Aircraft-Pilot System with Saturated Actuator Model

Directory of Open Access Journals (Sweden)

Claudia Alice STATE

2013-09-01

Full Text Available This paper deals with the analysis of the P(ilot I(n-the-Loop O(scillations of the second category (with rate and position liming in the closed loop pilot-vehicle system, caused by the dynamic coupling between the human pilot and the aircraft. The analysis is made in the context of the longitudinal motion and the theoretical model of the airplane presented in this article is a (Blended(Wing (Body tailless configuration. In what concerns the human operator, this is expressed by the Synchronous Pilot Model, which is represented by a simple gain, without a specific delay. The Routh-Hurwitz criterion is used in order to analyze the longitudinal stability of the low-order pilot-airplane system without the influence of actuator nonlinearity (this means that the unsaturated actuator model is employed for the mentioned algebraic criterion. Most emphasis is put on the frequency Popov criterion, which is used to investigate the absolute stability property of the short-period model in the presence of the actuator rate saturation, in the condition of the Lurie problem. The transfer function of the longitudinal BWB model, obtained from open-loop analysis, has a double pole at the origin and, for the absolute stability feedback structure that contains the nonlinearity of the saturation type, the Popov frequency-domain inequalities are applied to the PIO II problem in this critical case.

Toxic Potential of Carcinogenic Polycyclic Aromatic Hydrocarbons ...

African Journals Online (AJOL)

Toxic Potential of Carcinogenic Polycyclic Aromatic Hydrocarbons (cPAHs) and Heavy Metal in Crude Oil from Gokana Area, Rivers State, Nigeria. ... Considerable caution should be applied in exploration, exposure and distribution of the crude oil through protected and well maintained pipelines to avoid the possible ...

Biodegradation of aliphatic vs. aromatic hydrocarbons in fertilized arctic soils

Science.gov (United States)

Braddock, J.F.

1999-01-01

A study was carried out to test a simple bioremediation treatment strategy in the Arctic and analyze the influence of fertilization the degradation of aliphatic and aromatic hydrocarbons, e.g., pristine, n-tetradecane, n-pentadecane, 2-methylnaphthalene, naphthalene, and acenaphthalene. The site was a coarse sand pad that once supported fuel storage tanks. Diesel-range organics concentrations were 250-860 mg/kg soil at the beginning of the study. Replicate field plots treated with fertilizer yielded final concentrations of 0, 50, 100, or 200 mg N/kg soil. Soil pH and soil-water potentials decreased due to fertilizer application. The addition of fertilizer considerably increased soil respiration potentials, but not the populations of microorganisms measured. Fertilizer addition also led to ??? 50% loss of measured aliphatic and aromatic hydrocarbons in surface and subsurface soils. For fertilized plots, hydrocarbon loss was not associated with the quantity of fertilizer added. Losses of aliphatic hydrocarbons were ascribed to biotic processes, while losses of aromatic hydrocarbons were due to biotic and abiotic processes.

Saturation behaviour of the LHC NEG coated beam pipes

CERN Document Server

Porcelli, T; Lanza, G; Baglin, V; Jimenez, J M

2012-01-01

In the CERN Large Hadron Collider (LHC), about 6 km of the UHV beam pipe are at room temperature and serve as experimental or utility insertions. TiZrV non-evaporable getter (NEG) coating is used to maintain the design pressure during beam operation. Molecular desorption due to dynamic effects is stimulated during protons operation at high intensity. This phenomenon produces an important gas load from the vacuum chamber walls, which could lead to a partial or total saturation of the NEG coating. To keep the design vacuum performances and to schedule technical interventions for NEG reactivation, it is necessary to take into account all these aspects and to regularly evaluate the saturation level of the NEG coating. Experimental studies of a typical LHC vacuum sector were conducted in the laboratory in order to identify the best method to assess the saturation level of the beam pipe. Partial saturation of the NEG was performed and the effective pumping speed, transmission and capture probability are analysed.

Transformation of saturated nitrogen-containing heterocyclic compounds by microorganisms.

Science.gov (United States)

Parshikov, Igor A; Silva, Eliane O; Furtado, Niege A J C

2014-02-01

The saturated nitrogen-containing heterocyclic compounds include many drugs and compounds that may be used as synthons for the synthesis of other pharmacologically active substances. The need for new derivatives of saturated nitrogen-containing heterocycles for organic synthesis, biotechnology and the pharmaceutical industry, including optically active derivatives, has increased interest in microbial synthesis. This review provides an overview of microbial technologies that can be valuable to produce new derivatives of saturated nitrogen-containing heterocycles, including hydroxylated derivatives. The chemo-, regio- and enantioselectivity of microbial processes can be indispensable for the synthesis of new compounds. Microbial processes carried out with fungi, including Beauveria bassiana, Cunninghamella verticillata, Penicillium simplicissimum, Aspergillus niger and Saccharomyces cerevisiae, and bacteria, including Pseudomonas sp., Sphingomonas sp. and Rhodococcus erythropolis, biotransform many substrates efficiently. Among the biological activities of saturated nitrogen-containing heterocyclic compounds are antimicrobial, antitumor, antihypertensive and anti-HIV activities; some derivatives are effective for the treatment and prevention of malaria and trypanosomiasis, and others are potent glycosidase inhibitors.

Virus movement in soil during saturated and unsaturated flow.

Science.gov (United States)

Lance, J C; Gerba, C P

1984-02-01

Virus movement in soil during saturated and unsaturated flow was compared by adding poliovirus to sewage water and applying the water at different rates to a 250-cm-long soil column equipped with ceramic samplers at different depths. Movement of viruses during unsaturated flow of sewage through soil columns was much less than during saturated flow. Viruses did not move below the 40-cm level when sewage water was applied at less than the maximum infiltration rate; virus penetration in columns flooded with sewage was at least 160 cm. Therefore, virus movement in soils irrigated with sewage should be less than in flooded groundwater recharge basins or in saturated soil columns. Management of land treatment systems to provide unsaturated flow through the soil should minimize the depth of virus penetration. Differences in virus movement during saturated and unsaturated flow must be considered in the development of any model used to simulate virus movement in soils.

Formation of polycyclic aromatic hydrocarbons by ionizing radiations

International Nuclear Information System (INIS)

Perez, G.; Lilia, E.; Cristalli, A.

1986-01-01

Gaseous 0-terphenyl, 1-phenylnaphthalene, and 9-phenylanthracene were submitted to gamma rays. The yields of cyclization products, polycyclic aromatic hydrocarbons, show that at least one twentieth of the intermediates formed undergo intramolecular reaction. (author)

Δg: The new aromaticity index based on g-factor calculation applied for polycyclic benzene rings

Science.gov (United States)

Ucun, Fatih; Tokatlı, Ahmet

2015-02-01

In this work, the aromaticity of polycyclic benzene rings was evaluated by the calculation of g-factor for a hydrogen placed perpendicularly at geometrical center of related ring plane at a distance of 1.2 Å. The results have compared with the other commonly used aromatic indices, such as HOMA, NICSs, PDI, FLU, MCI, CTED and, generally been found to be in agreement with them. So, it was proposed that the calculation of the average g-factor as Δg could be applied to study the aromaticity of polycyclic benzene rings without any restriction in the number of benzene rings as a new magnetic-based aromaticity index.

Nitrile versus isonitrile adsorption at interstellar grain surfaces. II. Carbonaceous aromatic surfaces

Science.gov (United States)

Bertin, M.; Doronin, M.; Michaut, X.; Philippe, L.; Markovits, A.; Fillion, J.-H.; Pauzat, F.; Ellinger, Y.; Guillemin, J.-C.

2017-12-01

Context. Almost 20% of the 200 different species detected in the interstellar and circumstellar media present a carbon atom linked to nitrogen by a triple bond. Of these 37 molecules, 30 are nitrile R-CN compounds, the remaining 7 belonging to the isonitrile R-NC family. How these species behave in their interactions with the grain surfaces is still an open question. Aims: In a previous work, we have investigated whether the difference between nitrile and isonitrile functional groups may induce differences in the adsorption energies of the related isomers at the surfaces of interstellar grains of various nature and morphologies. This study is a follow up of this work, where we focus on the adsorption on carbonaceous aromatic surfaces. Methods: The question is addressed by means of a concerted experimental and theoretical approach of the adsorption energies of CH3CN and CH3NC on the surface of graphite (with and without surface defects). The experimental determination of the molecule and surface interaction energies is carried out using temperature-programmed desorption in an ultra-high vacuum between 70 and 160 K. Theoretically, the question is addressed using first-principle periodic density functional theory to represent the organised solid support. Results: The adsorption energy of each compound is found to be very sensitive to the structural defects of the aromatic carbonaceous surface: these defects, expected to be present in a large numbers and great diversity on a realistic surface, significantly increase the average adsorption energies to more than 50% as compared to adsorption on perfect graphene planes. The most stable isomer (CH3CN) interacts more efficiently with the carbonaceous solid support than the higher energy isomer (CH3NC), however.

A novel aromatic alcohol dehydrogenase in higher plants: molecular cloning and expression.

Science.gov (United States)

Goffner, D; Van Doorsselaere, J; Yahiaoui, N; Samaj, J; Grima-Pettenati, J; Boudet, A M

1998-03-01

Cinnamyl alcohol dehydrogenase (CAD; EC 1.1.195) catalyses the conversion of p-hydroxy-cinnamaldehydes to the corresponding alcohols and is considered a key enzyme in lignin biosynthesis. In a previous study, an atypical form of CAD (CAD 1) was identified in Eucalyptus gunnii [12]. We report here the molecular cloning and characterization of the corresponding cDNA, CAD 1-5, which encodes this novel aromatic alcohol dehydrogenase. The identity of CAD 1-5 was unambiguously confirmed by sequence comparison of the cDNA with peptide sequences derived from purified CAD 1 protein and by functional expression of CAD 1 recombinant protein in Escherichia coli. Both native and recombinant CAD 1 exhibit high affinity towards lignin precursors including 4-coumaraldehyde and coniferaldehyde, but they do not accept sinapaldehyde. Moreover, recombinant CAD 1 can also utilize a wide range of aromatic substrates including unsubstituted and substituted benzaldehydes. The open reading frame of CAD 1-5 encodes a protein with a calculated molecular mass of 35,790 Da and an isoelectric point of 8.1. Although sequence comparisons with proteins in databases revealed significant similarities with dihydroflavonol-4-reductases (DFR; EC 1.1.1.219) from a wide range of plant species, the most striking similarity was found with cinnamoyl-CoA reductase (CCR; EC 1.2.1.44), the enzyme which directly precedes CAD in the lignin biosynthetic pathway. RNA blot analysis and immunolocalization experiments indicated that CAD 1 is expressed in both lignified and unlignified tissues/cells. Based on the catalytic activity of CAD 1 in vitro and its localization in planta, CAD 1 may function as an 'alternative' enzyme in the lignin biosynthetic pathway. However, additional roles in phenolic metabolism are not excluded.

Group type analysis of asphalt by column liquid chromatography

Energy Technology Data Exchange (ETDEWEB)

Zhang, C.; Yang, J.; Xue, Y.; Li, Y. [Chinese Academy of Science, Taiyuan (China)

2008-07-01

An improved analysis method for characterization of asphalt was established. The method is based on column chromatography technique. The asphalts were separated into four groups: saturates, aromatics, resins, and asphaltenes, quantitatively. About 0.1 g of sample was required in each analysis. About 20 mL of n-heptanes was used to separate out saturates first. Then about 35 mL of n-heptanes/dichloromethane (.5, v/v) mixture was used to separate out aromatics. About 30 mL of dichloromethane/tetrahydrofuran (1/3, v/v) mixture was used to separate out resin. The quality of the separation was confirmed by infrared spectra (IR) and {sup 1}H NMR analysis. The model compounds, tetracosan for saturates, dibenz(o)anthracen for aromatics, and acetanilide for resins were used for verification. The IR and {sup 1}H NMR analysis of the prepared fractions from the column liquid chromatography were in good agreement that of pure reagents.

CT-scan-monitored electrical resistivity measurements show problems achieving homogeneous saturation

International Nuclear Information System (INIS)

Sprunt, E.S.; Coles, M.E.; Davis, R.M.; Muegge, E.L.; Desai, K.P.

1991-01-01

X-ray CT scans obtained during measurement of the electrical resistivity of core samples revealed some problems in obtaining uniform saturation along the length of the sample. In this paper the electrical resistivity of core samples is measured as a function of water saturation to determine the saturation exponent, which is used in electric log interpretation. An assumption in such tests is that the water saturation is uniformly distributed. Failure of this assumption can result in errors in the determination of the saturation exponent. Three problems were identified in obtaining homogeneous water saturation in two samples of a Middle Eastern carbonate grainstone. A stationary front formed in one sample at 1 psi oil/brine capillary pressure. A moving front formed at oil/brine capillary pressures of 4 psi or less in both samples tested, in both a fresh mixed-wettability state and in a cleaned water-wet state. In these samples, the heterogeneous fluid distribution caused by a rapidly moving front did not dissipate when the capillary pressure was eliminated

Transformations of aromatic hydrocarbons over zeolites

Czech Academy of Sciences Publication Activity Database

Voláková, Martina; Žilková, Naděžda; Čejka, Jiří

2008-01-01

Roč. 34, 5-7 (2008), s. 439-454 ISSN 0922-6168 R&D Projects: GA ČR GA203/05/0197; GA AV ČR 1QS400400560; GA AV ČR KJB4040402 Institutional research plan: CEZ:AV0Z40400503 Keywords : aromatic hydrocarbons * zeolites * alkylation Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.514, year: 2008

Saturated poroelastic actuators generated by topology optimization

DEFF Research Database (Denmark)

Andreasen, Casper Schousboe; Sigmund, Ole

2011-01-01

the coupling of internal fluid pressure and elastic shear stresses a slab of the optimized porous material deflects/deforms when a pressure is imposed and an actuator is created. Several phenomenologically based constraints are imposed in order to get a stable force transmitting actuator.......In this paper the fluid-structure interaction problem of a saturated porous media is considered. The pressure coupling properties of porous saturated materials change with the microstructure and this is utilized in the design of an actuator using a topology optimized porous material. By maximizing...

Multipactor saturation in parallel-plate waveguides

International Nuclear Information System (INIS)

Sorolla, E.; Mattes, M.

2012-01-01

The saturation stage of a multipactor discharge is considered of interest, since it can guide towards a criterion to assess the multipactor onset. The electron cloud under multipactor regime within a parallel-plate waveguide is modeled by a thin continuous distribution of charge and the equations of motion are calculated taking into account the space charge effects. The saturation is identified by the interaction of the electron cloud with its image charge. The stability of the electron population growth is analyzed and two mechanisms of saturation to explain the steady-state multipactor for voltages near above the threshold onset are identified. The impact energy in the collision against the metal plates decreases during the electron population growth due to the attraction of the electron sheet on the image through the initial plate. When this growth remains stable till the impact energy reaches the first cross-over point, the electron surface density tends to a constant value. When the stability is broken before reaching the first cross-over point the surface charge density oscillates chaotically bounded within a certain range. In this case, an expression to calculate the maximum electron surface charge density is found whose predictions agree with the simulations when the voltage is not too high.

Bulk hydrodynamic stability and turbulent saturation in compressing hot spots

Science.gov (United States)

Davidovits, Seth; Fisch, Nathaniel J.

2018-04-01

For hot spots compressed at constant velocity, we give a hydrodynamic stability criterion that describes the expected energy behavior of non-radial hydrodynamic motion for different classes of trajectories (in ρR — T space). For a given compression velocity, this criterion depends on ρR, T, and d T /d (ρR ) (the trajectory slope) and applies point-wise so that the expected behavior can be determined instantaneously along the trajectory. Among the classes of trajectories are those where the hydromotion is guaranteed to decrease and those where the hydromotion is bounded by a saturated value. We calculate this saturated value and find the compression velocities for which hydromotion may be a substantial fraction of hot-spot energy at burn time. The Lindl (Phys. Plasmas 2, 3933 (1995)] "attractor" trajectory is shown to experience non-radial hydrodynamic energy that grows towards this saturated state. Comparing the saturation value with the available detailed 3D simulation results, we find that the fluctuating velocities in these simulations reach substantial fractions of the saturated value.

Gaseous saturable absorbers for the Helios CO2 laser system

International Nuclear Information System (INIS)

Haglund, R.F. Jr.; Nowak, A.V.; Czuchlewski, S.J.

1981-01-01

Saturable absorbers are widely used to suppress parasitic oscillations in large-aperture, high-power CO 2 fusion-laser systems. We report experimental results on SF 6 -based gaseous saturable absorbers used for parasitic suppression in the eight-beam, 10 kJ Helios fusion-laser system. The gas mix effectively quenches self-lasing in the 9 and 10 μm branches of the CO 2 laser spectrum while simultaneously allowing high transmission of subnanosecond multiwavelength pulses for target-irradiation experiments. The gas isolator now in use consists of SF 6 and the additional fluorocarbons: 1, 1-difluoroethane (FC-152a); dichlorodifluoromethane (FC-12); chloropentafluoroethane (FC-115); 1,1-dichloro 2,2-difluoroethylene (FC-1112a); chlorotrifluoroethylene (FC-1113); and perfluorocyclobutane (FC-C318). The saturation of the mix was studied as a function of incident fluence, pressure, cell length, and incident wavelength. Experimental results are presented on the saturation properties of pure SF 6 and FC-152a and compared with the saturation behavior of CO 2 at 400 0 C

Third harmonic current injection into highly saturated multi-phase machines

Directory of Open Access Journals (Sweden)

Klute Felix

2017-03-01

Full Text Available One advantage of multi-phase machines is the possibility to use the third harmonic of the rotor flux for additional torque generation. This effect can be maximised for Permanent Magnet Synchronous Machines (PMSM with a high third harmonic content in the magnet flux. This paper discusses the effects of third harmonic current injection (THCI on a five-phase PMSM with a conventional magnet shape depending on saturation. The effects of THCI in five-phase machines are shown in a 2D FEM model in Ansys Maxwell verified by measurement results. The results of the FEM model are analytically analysed using the Park model. It is shown in simulation and measurement that the torque improvement by THCI increases significantly with the saturation level, as the amplitude of the third harmonic flux linkage increases with the saturation level but the phase shift of the rotor flux linkage has to be considered. This paper gives a detailed analysis of saturation mechanisms of PMSM, which can be used for optimizing the efficiency in operating points of high saturations, without using special magnet shapes.

Gain characteristics of a saturated fiber optic parametric amplifier

DEFF Research Database (Denmark)

Rottwitt, Karsten; Lorenzen, Michael Rodas; Noordegraaf, Danny

2008-01-01

In this work we discuss saturation performance of a fiber optic parametric amplifier. A simple numerical model is described and applied to specific cases. A system experiment using a saturated amplifier illustrates a 4 dB improvement in required signal to noise ratio for a fixed bit error ratio....

Saturated hydraulic conductivity values of some forest soils of ...

African Journals Online (AJOL)

A simple falling-head method is presented for the laboratory determination of saturated hydraulic conductivity of some forest soils of Ghana. Using the procedure, it was found that saturated hydraulic conductivity was positively and negatively correlated with sand content and clay content, respectively, both at P = 0.05 level.

A combined chemical + enzymatic method to remove selected aromatics from aqueous streams

International Nuclear Information System (INIS)

Xu, X.; John, V.

1993-01-01

Aromatics are major pollutants found in aqueous environments and in sediments. While there are many chemical and biochemical processes to remove and/or destroy these contaminants, they have to be considered in light of the economics and the time-scales for treatment. We describe our initial work on a hybrid chemical + enzymatic technique to remove aromatics from aqueous stream. The aromatic is first converted to the corresponding phenol through classical Fenton type chemistry involving catalysis by Fe(II). The phenol is subsequently polymerized through an enzymatic mechanism, using horseradish peroxidase as the oxidative enzyme. The polymer is insoluble in water and can be easily recovered. In addition, such phenolic polymers are useful products with varied applications in coatings and resin technologies. Thus, the pollutants can be eventually converted to useful products

Renal vein oxygen saturation in renal artery stenosis

DEFF Research Database (Denmark)

Nielsen, K; Rehling, M; Henriksen, Jens Henrik Sahl

1992-01-01

Renal vein oxygen-saturation was measured in 56 patients with arterial hypertension and unilateral stenosis or occlusion of the renal artery. Oxygen-saturation in blood from the ischaemic kidney (84.4%, range 73-93%) was significantly higher than that from the 'normal' contralateral kidney (81...... than its blood flow. This is probably due to decreased filtration fraction and filtered sodium with subsequent reduction in absolute tubular re-absorption of sodium ions....

Remediation of soil contaminated with polycyclic aromatic ...

African Journals Online (AJOL)

user

2011-02-14

Feb 14, 2011 ... The aim of this study was to determine ways of remediating soils contaminated with polycyclic aromatic hydrocarbons (PAHs) associated with crude oil. The study involves the use of planted cowpeas, mushrooms, algae, dead vegetable and live earthworm, and fire-heating of the contaminated garden soil ...

Catalytic fast co-pyrolysis of biomass and food waste to produce aromatics: Analytical Py-GC/MS study.

Science.gov (United States)

Zhang, Bo; Zhong, Zhaoping; Min, Min; Ding, Kuan; Xie, Qinglong; Ruan, Roger

2015-01-01

In this study, catalytic fast co-pyrolysis (co-CFP) of corn stalk and food waste (FW) was carried out to produce aromatics using quantitative pyrolysis-gas chromatography/mass spectrometry (Py-GC/MS), and ZSM-5 zeolite in the hydrogen form was employed as the catalyst. Co-CFP temperature and a parameter called hydrogen to carbon effective ratio (H/C(eff) ratio) were examined for their effects on the relative content of aromatics. Experimental results showed that co-CFP temperature of 600 °C was optimal for the formation of aromatics and other organic pyrolysis products. Besides, H/C(eff) ratio had an important influence on product distribution. The yield of total organic pyrolysis products and relative content of aromatics increased non-linearly with increasing H/C(eff) ratio. There was an apparent synergistic effect between corn stalk and FW during co-CFP process, which promoted the production of aromatics significantly. Co-CFP of biomass and FW was an effective method to produce aromatics and other petrochemicals. Copyright © 2015. Published by Elsevier Ltd.

Defect solitons in saturable nonlinearity media with parity-time symmetric optical lattices

Energy Technology Data Exchange (ETDEWEB)

Hu, Sumei [Department of Physics, Guangdong University of Petrochemical Technology, Maoming 525000 (China); Laboratory of Nanophotonic Functional Materials and Devices, South China Normal University, Guangzhou 510631 (China); Hu, Wei, E-mail: huwei@scnu.edu.cn [Laboratory of Nanophotonic Functional Materials and Devices, South China Normal University, Guangzhou 510631 (China)

2013-11-15

We reported the existence and stability of defect solitons in saturable nonlinearity media with parity-time (PT) symmetric optical lattices. Families of fundamental and dipole solitons are found in the semi-infinite gap and the first gap. The power of solitons increases with the increasing of the propagation constant and saturation parameter. The existence areas of fundamental and dipole solitons shrink with the growth of saturation parameter. The instability of dipole solitons for positive and no defect induced by the imaginary part of PT symmetric potentials can be suppressed by the saturation nonlinearity, but for negative defect it cannot be suppressed by the saturation nonlinearity.

UV irradiation of polycyclic aromatic hydrocarbons in ices: production of alcohols, quinones, and ethers

Science.gov (United States)

Bernstein, M. P.; Sandford, S. A.; Allamandola, L. J.; Gillette, J. S.; Clemett, S. J.; Zare, R. N.

1999-01-01

Polycyclic aromatic hydrocarbons (PAHs) in water ice were exposed to ultraviolet (UV) radiation under astrophysical conditions, and the products were analyzed by infrared spectroscopy and mass spectrometry. Peripheral carbon atoms were oxidized, producing aromatic alcohols, ketones, and ethers, and reduced, producing partially hydrogenated aromatic hydrocarbons, molecules that account for the interstellar 3.4-micrometer emission feature. These classes of compounds are all present in carbonaceous meteorites. Hydrogen and deuterium atoms exchange readily between the PAHs and the ice, which may explain the deuterium enrichments found in certain meteoritic molecules. This work has important implications for extraterrestrial organics in biogenesis.

Gluon saturation and baryon stopping in the SPS, RHIC, and LHC energy regions

International Nuclear Information System (INIS)

Li Shuang; Feng Shengqin

2012-01-01

A new geometrical scaling method with a gluon saturation rapidity limit is proposed to study the gluon saturation feature of the central rapidity region of relativistic nuclear collisions. The net-baryon number is essentially transported by valence quarks that probe the saturation regime in the target by multiple scattering. We take advantage of the gluon saturation model with geometric scaling of the rapidity limit to investigate net baryon distributions, nuclear stopping power and gluon saturation features in the SPS and RHIC energy regions. Predictions for net baryon rapidity distributions, mean rapidity loss and gluon saturation feature in central Pb + Pb collisions at the LHC are made in this paper. (authors)

Polycyclic Aromatic Hydrocarbons Adsorption onto Graphene: A DFT and AIMD Study

Directory of Open Access Journals (Sweden)

Bing Li

2018-05-01

Full Text Available Density functional theory (DFT calculations and ab-initio molecular dynamics (AIMD simulations were performed to understand graphene and its interaction with polycyclic aromatic hydrocarbons (PAHs molecules. The adsorption energy was predicted to increase with the number of aromatic rings in the adsorbates, and linearly correlate with the hydrophobicity of PAHs. Additionally, the analysis of the electronic properties showed that PAHs behave as mild n-dopants and introduce electrons into graphene; but do not remarkably modify the band gap of graphene, indicating that the interaction between PAHs and graphene is physisorption. We have also discovered highly sensitive strain dependence on the adsorption strength of PAHs onto graphene surface. The AIMD simulation indicated that a sensitive and fast adsorption process of PAHs can be achieved by choosing graphene as the adsorbent. These findings are anticipated to shed light on the future development of graphene-based materials with potential applications in the capture and removal of persistent aromatic pollutants.

New insight in magnetic saturation behavior of nickel hierarchical structures

Science.gov (United States)

Ma, Ji; Zhang, Jianxing; Liu, Chunting; Chen, Kezheng

2017-09-01

It is unanimously accepted that non-ferromagnetic inclusions in a ferromagnetic system will lower down total saturation magnetization in unit of emu/g. In this study, ;lattice strain; was found to be another key factor to have critical impact on magnetic saturation behavior of the system. The lattice strain determined assembling patterns of primary nanoparticles in hierarchical structures and was intimately related with the formation process of these architectures. Therefore, flower-necklace-like and cauliflower-like nickel hierarchical structures were used as prototype systems to evidence the relationship between assembling patterns of primary nanoparticles and magnetic saturation behaviors of these architectures. It was found that the influence of lattice strain on saturation magnetization outperformed that of non-ferromagnetic inclusions in these hierarchical structures. This will enable new insights into fundamental understanding of related magnetic effects.

Simulation of consolidation in partially saturated soil materials

International Nuclear Information System (INIS)

Narasimhan, T.N.

1982-03-01

Partially saturated soil materials undergo consolidation, heave, collapse and failure due to changes in pore fluid pressure. The precise nature of the mechanics of such deformations is only poorly understood at present. Experimental evidence has shown that the volume change behavior of unsaturated soils cannot be adequately explained through changes in effective stress, even when a saturation dependent parameter is incorporated into the definition of effective stress. Two independent stress-state variables, involving combinations of total stress, pore air pressure and pore water pressure, are required to characterize volume changes and saturation changes in the partially saturated state. In general, two coupled conservation equations, one for the water-phase and the other for the air-phase need to be solved in order to predict the deformation behavior of unsaturated soils. If directional displacements and changes in the stress-field are required, then the conservation equations are to be integrated with an additional set of multi-dimensional force balance equations. For lack of a sufficient understanding of elastic constants such as Poisson's Ratio and Lame's constants as applied to unsaturated soils, little has been achieved so far in integrating the conservation equations and the force balance equations. For the long-term modeling of consolidation with respect to uranium mill tailings, it may be acceptable and economical to solve a single conservation equation for water, assuming that the air-phase is continuous and is at atmospheric pressure everywhere in the soil. The greatest challenge to modeling consolidation in the unsaturated zone at the presnt time is to develop enough experimental data defining the variation of void ratio and saturation with reference to the two chosen stress-state variables

Pro-aromatic Bisphenaleno-thieno[3,2-b]thiophene versus Anti-aromatic Bisindeno-thieno[3,2-b]thiophene: Different Ground- state Properties and Applications for Field-effect Transistors

KAUST Repository

Shi, Xueliang

2015-07-06

A pro-aromatic bisphenaleno-thieno[3,2-b]thiophene (BPT-TIPS) was synthesized and compared with an anti-aromatic bisindeno-thieno[3,2-b]thiophene (S2-TIPS). BPT-TIPS showed larger diradical character, stronger absorption, longer excited state lifetime and better redox amphotericity than S2-TIPS. X-ray crystallographic analysis of BPT-TIPS disclosed an ordered 3D packing via close π-π interactions and field-effect hole mobility of 0.26 cm2V-1s-1 was obtained.

Pro-aromatic Bisphenaleno-thieno[3,2-b]thiophene versus Anti-aromatic Bisindeno-thieno[3,2-b]thiophene: Different Ground- state Properties and Applications for Field-effect Transistors

KAUST Repository

Shi, Xueliang; Lee, Sangsu; Son, Minjung; Zheng, Bin; Chang, Jingjing; Jing, Linzhi; Huang, Kuo-Wei; Kim, Dongho; Chi, Chunyan

2015-01-01

A pro-aromatic bisphenaleno-thieno[3,2-b]thiophene (BPT-TIPS) was synthesized and compared with an anti-aromatic bisindeno-thieno[3,2-b]thiophene (S2-TIPS). BPT-TIPS showed larger diradical character, stronger absorption, longer excited state lifetime and better redox amphotericity than S2-TIPS. X-ray crystallographic analysis of BPT-TIPS disclosed an ordered 3D packing via close π-π interactions and field-effect hole mobility of 0.26 cm2V-1s-1 was obtained.

Acute and chronic aquatic toxicity of aromatic extracts. Summary of relevant test data

Energy Technology Data Exchange (ETDEWEB)

Comber, M.I.H.; Den Haan, K.; Djemel, N.; Eadsforth, C.V.; King, D.; Parkerton, T.; Leon Paumen, M.; Dmytrasz, B.; Del Castillo, F.

2013-09-15

This report describes the experimental procedures and the results obtained in acute and chronic ecotoxicity tests on several aromatic extracts samples. The samples were tested for toxicity to the rainbow trout (Oncorhynchus mykiss), the crustacean zooplankter, Daphnia magna and the algae, Selenastrum capricornutum using water accommodated fractions. These results assist in determining the environmental hazard posed by aromatic extracts.

Saturation and nucleation in hot nuclear systems

International Nuclear Information System (INIS)

Deangelis, A.R.

1990-07-01

We investigate nuclear fragmentation in a supersaturated system using classical nucleation theory. This allows us to go outside the normally applied constraint of chemical equilibrium. The system is governed by a virial equation of state, which we use to find an expression for the density as a function of pressure and temperature. The evolution of the system is discussed in terms of the phase diagram. Corrections are included to account for the droplet surface and all charges contained in the system. Using this model we investigate and discuss the effects of temperature and saturation, and compare the results to those of other models of fragmentation. We also discuss the limiting temperatures of the system for the cases with and without chemical equilibrium. We find that large nuclei will be formed in saturated systems, even above the limiting temperature as previously defined. We also find that saturation and temperature dominate surface and Coulomb effects. The effects are quite large, thus even a qualitative inspection of the yields may give an indication of the conditions during fragmentation

Open circuit voltage-decay behavior in amorphous p-i-n solar due to injection

Science.gov (United States)

Smrity, Manu; Dhariwal, S. R.

2018-05-01

The paper deals with the basic recombination processes at the dangling bond and the band tail states at various levels of injection, expressed in terms of short-circuit current density and their role in the behavior of amorphous solar cells. As the level of injection increases the fill factor decreases whereas the open circuit voltage increases very slowly, showing a saturation tendency. Calculations have been done for two values of tail state densities and shows that with an increase in tail state densities both, the fill factor and open circuit voltage decreases, results an overall degradation of the solar cell.

Distribution of polycyclic aromatic hydrocarbons in rural agricultural ...

African Journals Online (AJOL)

AJB SERVER

African Journal of Biotechnology Vol. 5 (15), pp. 1415-1421, 3 August 2006 ... Polycyclic aromatic hydrocarbons (PAHs) are a group of chemicals that are formed during ... site for refinery process wastes, which has been operated since 1958 ...

Cancer risk assessments of Hong Kong soils contaminated by polycyclic aromatic hydrocarbons

Energy Technology Data Exchange (ETDEWEB)

Man, Yu Bon [School of Environmental and Resource Sciences, Zhejiang Agriculture and Forestry University, Lin’an, Zhejiang 311300 (China); State Key Laboratory in Marine Pollution - Croucher Institute for Environmental Sciences, Hong Kong Baptist University and City University of Hong Kong, Hong Kong SAR (China); Kang, Yuan [State Key Laboratory in Marine Pollution - Croucher Institute for Environmental Sciences, Hong Kong Baptist University and City University of Hong Kong, Hong Kong SAR (China); School of Chemistry and Environment, South China Normal University, Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, Higher Education Mega Center, Guangzhou 510006 (China); Wang, Hong Sheng [State Key Laboratory in Marine Pollution - Croucher Institute for Environmental Sciences, Hong Kong Baptist University and City University of Hong Kong, Hong Kong SAR (China); Department of Microbial and Biochemical Pharmacy, School of Pharmaceutical Sciences, Sun Yat-sen University, Guangzhou 510006 (China); Lau, Winifred; Li, Hui; Sun, Xiao Lin [State Key Laboratory in Marine Pollution - Croucher Institute for Environmental Sciences, Hong Kong Baptist University and City University of Hong Kong, Hong Kong SAR (China); Giesy, John P. [Department of Biology and Chemistry and State Key Laboratory in Marine Pollution, City University of Hong Kong, Kowloon, Hong Kong, SAR (China); Chow, Ka Lai [State Key Laboratory in Marine Pollution - Croucher Institute for Environmental Sciences, Hong Kong Baptist University and City University of Hong Kong, Hong Kong SAR (China); Wong, Ming Hung, E-mail: mhwong@hkbu.edu.hk [School of Environmental and Resource Sciences, Zhejiang Agriculture and Forestry University, Lin’an, Zhejiang 311300 (China); State Key Laboratory in Marine Pollution - Croucher Institute for Environmental Sciences, Hong Kong Baptist University and City University of Hong Kong, Hong Kong SAR (China)

2013-10-15

Highlights: ► High levels of soil organic matter in soils render PAHs more resistant to degradation. ► Open burning site contain high concentrations of PAHs in Hong Kong. ► Car dismantling workshop can increase potential cancer risk on human. -- Abstract: The aim of this study was to evaluate soils from 12 different land use types on human cancer risks, with the main focus being on human cancer risks related to polycyclic aromatic hydrocarbons (PAHs). Fifty-five locations were selected to represent 12 different types of land use (electronic waste dismantling workshop (EW (DW)); open burning site (OBS); car dismantling workshop (CDW) etc.). The total concentrations of 16 PAHs in terms of total burden and their bioaccessibility were analysed using GC/MS. The PAHs concentrations were subsequently used to establish cancer risks in humans via three exposure pathways, namely, accident ingestion of soil, dermal contact soil and inhalation of soil particles. When the 95th centile values of total PAH concentrations were used to derive ingestion and dermal cancer risk probabilities on humans, the CDW land use type indicated a moderate potential for cancerous development (244 × 10{sup −6} and 209 × 10{sup −6}, respectively). Bioaccessible PAHs content in soil samples from CDW (3.60 × 10{sup −6}) were also classified as low cancer risk. CDW soil possessed a higher carcinogenic risk based on PAH concentrations. Bioremediation is recommended to treat the contaminated soil.

Cancer risk assessments of Hong Kong soils contaminated by polycyclic aromatic hydrocarbons

International Nuclear Information System (INIS)

Man, Yu Bon; Kang, Yuan; Wang, Hong Sheng; Lau, Winifred; Li, Hui; Sun, Xiao Lin; Giesy, John P.; Chow, Ka Lai; Wong, Ming Hung

2013-01-01

Highlights: ► High levels of soil organic matter in soils render PAHs more resistant to degradation. ► Open burning site contain high concentrations of PAHs in Hong Kong. ► Car dismantling workshop can increase potential cancer risk on human. -- Abstract: The aim of this study was to evaluate soils from 12 different land use types on human cancer risks, with the main focus being on human cancer risks related to polycyclic aromatic hydrocarbons (PAHs). Fifty-five locations were selected to represent 12 different types of land use (electronic waste dismantling workshop (EW (DW)); open burning site (OBS); car dismantling workshop (CDW) etc.). The total concentrations of 16 PAHs in terms of total burden and their bioaccessibility were analysed using GC/MS. The PAHs concentrations were subsequently used to establish cancer risks in humans via three exposure pathways, namely, accident ingestion of soil, dermal contact soil and inhalation of soil particles. When the 95th centile values of total PAH concentrations were used to derive ingestion and dermal cancer risk probabilities on humans, the CDW land use type indicated a moderate potential for cancerous development (244 × 10 −6 and 209 × 10 −6 , respectively). Bioaccessible PAHs content in soil samples from CDW (3.60 × 10 −6 ) were also classified as low cancer risk. CDW soil possessed a higher carcinogenic risk based on PAH concentrations. Bioremediation is recommended to treat the contaminated soil

Time-resolved fluorometry of the aromatic amino acids

International Nuclear Information System (INIS)

Laws, W.R.; Ross, J.B.A.; Katsoyannis, P.G.; Wyssbrod, H.R.

1988-01-01

The aromatic amino acids tryptophan, tyrosine, and phenylalanine are the chromophores that produce the intrinsic fluorescence of proteins. It has been a long-desired goal to be able to use the fluorescence of these amino acids to help understand protein dynamics, structure, and function. Considerable information about proteins in solution has come from steady-state, or time-averaged, fluorescence measurements, especially from the fluorescence of tryptophan. For a protein to be characterized more extensively, however, the time dependence of the intrinsic fluorescence must also be explained. Unfortunately, complex fluorescence decay kinetics have been observed not only for proteins having just a single aromatic amino acid, but also for simple analogues of these amino acids; the cause of these complex decays is not fully understood. Considerable effort must still be made to resolve the mechanisms causing the complex decays

Determination of carcinogenic polycyclic aromatic hydrocarbons in ...

African Journals Online (AJOL)

Determination of carcinogenic polycyclic aromatic hydrocarbons in air samples in Irbid, north Jordan. A Al-Gawadreh Sat, M.B. Gasim, A.R. Hassan, A Azid. Abstract. Air samples were collected at an urban site and a rural (BERQESH) site during February (2017) until March (2017) to determine concentrations of polycyclic ...

Azoarcus sp. CIB, an anaerobic biodegrader of aromatic compounds shows an endophytic lifestyle.

Directory of Open Access Journals (Sweden)

Helga Fernández

Full Text Available BACKGROUND: Endophytic bacteria that have plant growth promoting traits are of great interest in green biotechnology. The previous thought that the Azoarcus genus comprises bacteria that fit into one of two major eco-physiological groups, either free-living anaerobic biodegraders of aromatic compounds or obligate endophytes unable to degrade aromatics under anaerobic conditions, is revisited here. METHODOLOGY/PRINCIPAL FINDINGS: Light, confocal and electron microscopy reveal that Azoarcus sp. CIB, a facultative anaerobe β-proteobacterium able to degrade aromatic hydrocarbons under anoxic conditions, is also able to colonize the intercellular spaces of the rice roots. In addition, the strain CIB displays plant growth promoting traits such nitrogen fixation, uptake of insoluble phosphorus and production of indoleacetic acid. Therefore, this work demonstrates by the first time that a free-living bacterium able to degrade aromatic compounds under aerobic and anoxic conditions can share also an endophytic lifestyle. The phylogenetic analyses based on the 16S rDNA and nifH genes confirmed that obligate endophytes of the Azoarcus genus and facultative endophytes, such as Azoarcus sp. CIB, locate into different evolutionary branches. CONCLUSIONS/SIGNIFICANCE: This is the first report of a bacterium, Azoarcus sp. CIB, able to degrade anaerobically a significant number of aromatic compounds, some of them of great environmental concern, and to colonize the rice as a facultative endophyte. Thus, Azoarcus sp. CIB becomes a suitable candidate for a more sustainable agricultural practice and phytoremediation technology.

[Distribution and sources of oxygen and sulfur heterocyclic aromatic compounds in surface soil of Beijing, China].

Science.gov (United States)

He, Guang-Xiu; Zhang, Zhi-Huan; Peng, Xu-Yang; Zhu, Lei; Lu, Ling

2011-11-01

62 surface soil samples were collected from different environmental function zones in Beijing. Sulfur and oxygen heterocyclic aromatic compounds were detected by GC/MS. The objectives of this study were to identify the composition and distribution of these compounds, and discuss their sources. The results showed that the oxygen and sulfur heterocyclic aromatic compounds in the surface soils mainly contained dibenzofuran, methyl- and C2-dibenzofuran series, dibenzothiophene, methyl-, C2- and C3-dibenzothiophene series and benzonaphthothiophene series. The composition and distribution of the oxygen and sulfur heterocyclic aromatic compounds in the surface soil samples varied in the different environmental function zones, of which some factories and the urban area received oxygen and sulfur heterocyclic aromatic compounds most seriously. In Beijing, the degree of contamination by oxygen and sulfur heterocyclic aromatic compounds in the north surface soil was higher than that in the south. There were preferable linear correlations between the concentration of dibenzofuran series and fluorene series, as well as the concentration of dibenzothiophene series and dibenzofuran series. The oxygen and sulfur heterocyclic aromatic compounds in the surface soil were mainly derived from combustion products of oil and coal and direct input of mineral oil, etc. There were some variations in pollution sources of different environmental function zones.

Investigation of Primary Dew-Point Saturator Efficiency in Two Different Thermal Environments

Science.gov (United States)

Zvizdic, D.; Heinonen, M.; Sestan, D.

2015-08-01

The aim of this paper is to describe the evaluation process of the performance of the low-range saturator (LRS), when exposed to two different thermal environments. The examined saturator was designed, built, and tested at MIKES (Centre for Metrology and Accreditation, Finland), and then transported to the Laboratory for Process Measurement (LPM) in Croatia, where it was implemented in a new dew-point calibration system. The saturator works on a single-pressure-single-pass generation principle in the dew/frost-point temperature range between and . The purpose of the various tests performed at MIKES was to examine the efficiency and non-ideality of the saturator. As a test bath facility in Croatia differs from the one used in Finland, the same tests were repeated at LPM, and the effects of different thermal conditions on saturator performance were examined. Thermometers, pressure gauges, an air preparation system, and water for filling the saturator at LPM were also different than those used at MIKES. Results obtained by both laboratories indicate that the efficiency of the examined saturator was not affected either by the thermal conditions under which it was tested or by equipment used for the tests. Both laboratories concluded that LRS is efficient enough for a primary realization of the dew/frost-point temperature scale in the range from to , with flow rates between and . It is also shown that a considerable difference of the pre-saturator efficiency, indicated by two laboratories, did not have influence to the overall performance of the saturator. The results of the research are presented in graphical and tabular forms. This paper also gives a brief description of the design and operation principle of the investigated low-range saturator.

Concentration and saturation effects of tethered polymer chains on adsorbing surfaces

Science.gov (United States)

Descas, Radu; Sommer, Jens-Uwe; Blumen, Alexander

2006-12-01

We consider end-grafted chains at an adsorbing surface under good solvent conditions using Monte Carlo simulations and scaling arguments. Grafting of chains allows us to fix the surface concentration and to study a wide range of surface concentrations from the undersaturated state of the surface up to the brushlike regime. The average extension of single chains in the direction parallel and perpendicular to the surface is analyzed using scaling arguments for the two-dimensional semidilute surface state according to Bouchaud and Daoud [J. Phys. (Paris) 48, 1991 (1987)]. We find good agreement with the scaling predictions for the scaling in the direction parallel to the surface and for surface concentrations much below the saturation concentration (dense packing of adsorption blobs). Increasing the grafting density we study the saturation effects and the oversaturation of the adsorption layer. In order to account for the effect of excluded volume on the adsorption free energy we introduce a new scaling variable related with the saturation concentration of the adsorption layer (saturation scaling). We show that the decrease of the single chain order parameter (the fraction of adsorbed monomers on the surface) with increasing concentration, being constant in the ideal semidilute surface state, is properly described by saturation scaling only. Furthermore, the simulation results for the chains' extension from higher surface concentrations up to the oversaturated state support the new scaling approach. The oversaturated state can be understood using a geometrical model which assumes a brushlike layer on top of a saturated adsorption layer. We provide evidence that adsorbed polymer layers are very sensitive to saturation effects, which start to influence the semidilute surface scaling even much below the saturation threshold.

Tearing mode saturation with finite pressure

International Nuclear Information System (INIS)

Lee, J.K.

1988-01-01

With finite pressure, the saturation of the current-driven tearing mode is obtained in three-dimensional nonlinear resistive magnetohydrodynamic simulations for Tokamak plasmas. To effectively focus on the tearing modes, the perturbed pressure effects are excluded while the finite equilibrium pressure effects are retained. With this model, the linear growth rates of the tearing modes are found to be very insensitive to the equilibrium pressure increase. The nonlinear aspects of the tearing modes, however, are found to be very sensitive to the pressure increase in that the saturation level of the nonlinear harmonics of the tearing modes increases monotonically with the pressure rise. The increased level is associated with enhanced tearing island sizes or increased stochastic magnetic field region. (author)

Facile and Green Synthesis of Saturated Cyclic Amines

Directory of Open Access Journals (Sweden)

Arruje Hameed

2017-10-01

Full Text Available Single-nitrogen containing saturated cyclic amines are an important part of both natural and synthetic bioactive compounds. A number of methodologies have been developed for the synthesis of aziridines, azetidines, pyrrolidines, piperidines, azepanes and azocanes. This review highlights some facile and green synthetic routes for the synthesis of unsubstituted, multisubstituted and highly functionalized saturated cyclic amines including one-pot, microwave assisted, metal-free, solvent-free and in aqueous media.

Identifying specific interstellar polycyclic aromatic hydrocarbons

International Nuclear Information System (INIS)

Mulas, Giacomo; Malloci, Giuliano; Porceddu, Ignazio

2005-01-01

Interstellar Polycyclic Aromatic Hydrocarbons (PAHs) have been thought to be ubiquitous for more than twenty years, yet no single species in this class has been identified in the Interstellar Medium (ISM) to date. The unprecedented sensitivity and resolution of present Infrared Space Observatory (ISO) and forthcoming Herschel observations in the far infrared spectral range will offer a unique way out of this embarrassing impasse

Research on evaluation method for water saturation of tight sandstone in Suxi region

Science.gov (United States)

Lv, Hong; Lai, Fuqiang; Chen, Liang; Li, Chao; Li, Jie; Yi, Heping

2017-05-01

The evaluation of irreducible water saturation is important for qualitative and quantitative prediction of residual oil distribution. However, it is to be improved for the accuracy of experimental measuring the irreducible water saturation and logging evaluation. In this paper, firstly the multi-functional core flooding experiment and the nuclear magnetic resonance centrifugation experiment are carried out in the west of Sulige gas field. Then, the influence was discussed about particle size, porosity and permeability on the water saturation. Finally, the evaluation model was established about irreducible water saturation and the evaluation of irreducible water saturation was carried out. The results show that the results of two experiments are both reliable. It is inversely proportional to the median particle size, porosity and permeability, and is most affected by the median particle size. The water saturation of the dry layer is higher than that of the general reservoir. The worse the reservoir property, the greater the water saturation. The test results show that the irreducible water saturation model can be used to evaluate the water floor.

Systematic instrumental errors between oxygen saturation analysers in fetal blood during deep hypoxemia.

Science.gov (United States)

Porath, M; Sinha, P; Dudenhausen, J W; Luttkus, A K

2001-05-01

During a study of artificially produced deep hypoxemia in fetal cord blood, systematic errors of three different oxygen saturation analysers were evaluated against a reference CO oximeter. The oxygen tensions (PO2) of 83 pre-heparinized fetal blood samples from umbilical veins were reduced by tonometry to 1.3 kPa (10 mm Hg) and 2.7 kPa (20 mm Hg). The oxygen saturation (SO2) was determined (n=1328) on a reference CO oximeter (ABL625, Radiometer Copenhagen) and on three tested instruments (two CO oximeters: Chiron865, Bayer Diagnostics; ABL700, Radiometer Copenhagen, and a portable blood gas analyser, i-STAT, Abbott). The CO oximeters measure the oxyhemoglobin and the reduced hemoglobin fractions by absorption spectrophotometry. The i-STAT system calculates the oxygen saturation from the measured pH, PO2, and PCO2. The measurements were performed in duplicate. Statistical evaluation focused on the differences between duplicate measurements and on systematic instrumental errors in oxygen saturation analysis compared to the reference CO oximeter. After tonometry, the median saturation dropped to 32.9% at a PO2=2.7 kPa (20 mm Hg), defined as saturation range 1, and to 10% SO2 at a PO2=1.3 kPa (10 mm Hg), defined as range 2. With decreasing SO2, all devices showed an increased difference between duplicate measurements. ABL625 and ABL700 showed the closest agreement between instruments (0.25% SO2 bias at saturation range 1 and -0.33% SO2 bias at saturation range 2). Chiron865 indicated higher saturation values than ABL 625 (3.07% SO2 bias at saturation range 1 and 2.28% SO2 bias at saturation range 2). Calculated saturation values (i-STAT) were more than 30% lower than the measured values of ABL625. The disagreement among CO oximeters was small but increasing under deep hypoxemia. Calculation found unacceptably low saturation.

Steady State Entanglement and Saturation Effects in Correlated Spontaneous Emission Lasers

International Nuclear Information System (INIS)

Fei, Wang; Xiang-Ming, Hu; Wen-Xing, Shi

2009-01-01

It has recently been shown that correlated spontaneous emission lasers (CEL) exhibit transient entanglement in the linear regime. Here we re-examine the quantum correlations in two-photon CEL and explore the saturation effects on continuous variable entanglement. It is shown that the steady state entanglement is obtainable in the weak or moderate saturation regime, while is washed out in the deep saturation regime. (general)

SITE-SCALE SATURATED ZONE TRANSPORT

International Nuclear Information System (INIS)

S. KELLER

2004-01-01

This work provides a site-scale transport model for calculating radionuclide transport in the saturated zone (SZ) at Yucca Mountain, for use in the abstractions model in support of ''Total System Performance Assessment for License Application'' (TSPA-LA). The purpose of this model report is to provide documentation for the components of the site-scale SZ transport model in accordance with administrative procedure AP-SIII.10Q, Models. The initial documentation of this model report was conducted under the ''Technical Work Plan For: Saturated Zone Flow and Transport Modeling and Testing'' (BSC 2003 [DIRS 163965]). The model report has been revised in accordance with the ''Technical Work Plan For: Natural System--Saturated Zone Analysis and Model Report Integration'', Section 2.1.1.4 (BSC 2004 [DIRS 171421]) to incorporate Regulatory Integration Team comments. All activities listed in the technical work plan that are appropriate to the transport model are documented in this report and are described in Section 2.1.1.4 (BSC 2004 [DIRS 171421]). This report documents: (1) the advection-dispersion transport model including matrix diffusion (Sections 6.3 and 6.4); (2) a description and validation of the transport model (Sections 6.3 and 7); (3) the numerical methods for simulating radionuclide transport (Section 6.4); (4) the parameters (sorption coefficient, Kd ) and their uncertainty distributions used for modeling radionuclide sorption (Appendices A and C); (5) the parameters used for modeling colloid-facilitated radionuclide transport (Table 4-1, Section 6.4.2.6, and Appendix B); and (6) alternative conceptual models and their dispositions (Section 6.6). The intended use of this model is to simulate transport in saturated fractured porous rock (double porosity) and alluvium. The particle-tracking method of simulating radionuclide transport is incorporated in the finite-volume heat and mass transfer numerical analysis (FEHM) computer code, (FEHM V2.20, STN: 10086

Nonlinear saturation of the Rayleigh Taylor instability

International Nuclear Information System (INIS)

Das, A.; Mahajan, S.; Kaw, P.; Sen, A.; Benkadda, S.; Verga, A.

1997-01-01

The problem of the nonlinear saturation of the 2 dimensional Rayleigh Taylor instability is re-examined to put various earlier results in a proper perspective. The existence of a variety of final states can be attributed to the differences in the choice of boundary conditions and initial conditions in earlier numerical modeling studies. Our own numerical simulations indicate that the RT instability saturates by the self consistent generation of shear flow even in situations (with periodic boundaries) where, in principle, an infinite amount of gravitational energy can be tapped. Such final states can be achieved for suitable values of the Prandtl number. (author)

Diffuse reflectance spectroscopy for the measurement of tissue oxygen saturation

International Nuclear Information System (INIS)

Sircan-Kucuksayan, A; Canpolat, M; Uyuklu, M

2015-01-01

Tissue oxygen saturation (StO 2 ) is a useful parameter for medical applications. A spectroscopic method has been developed to detect pathologic tissues, due to a lack of normal blood circulation, by measuring StO 2 . In this study, human blood samples with different levels of oxygen saturation have been prepared and spectra were acquired using an optical fiber probe to investigate the correlation between the oxygen saturation levels and the spectra. A linear correlation between the oxygen saturation and ratio of the intensities (760 nm to 790 nm) of the spectra acquired from blood samples has been found. In a validation study, oxygen saturations of the blood samples were estimated from the spectroscopic measurements with an error of 2.9%. It has also been shown that the linear dependence between the ratio and the oxygen saturation of the blood samples was valid for the blood samples with different hematocrits. Spectra were acquired from the forearms of 30 healthy volunteers to estimate StO 2 prior to, at the beginning of, after 2 min, and at the release of total vascular occlusion. The average StO 2 of a forearm before and after the two minutes occlusion was significantly different. The results suggested that optical reflectance spectroscopy is a sensitive method to estimate the StO 2 levels of human tissue. The technique developed to measure StO 2 has potential to detect ischemia in real time. (paper)

Rapid determination of oxygen saturation and vascularity for cancer detection.

Directory of Open Access Journals (Sweden)

Fangyao Hu

Full Text Available A rapid heuristic ratiometric analysis for estimating tissue hemoglobin concentration and oxygen saturation from measured tissue diffuse reflectance spectra is presented. The analysis was validated in tissue-mimicking phantoms and applied to clinical measurements in head and neck, cervical and breast tissues. The analysis works in two steps. First, a linear equation that translates the ratio of the diffuse reflectance at 584 nm and 545 nm to estimate the tissue hemoglobin concentration using a Monte Carlo-based lookup table was developed. This equation is independent of tissue scattering and oxygen saturation. Second, the oxygen saturation was estimated using non-linear logistic equations that translate the ratio of the diffuse reflectance spectra at 539 nm to 545 nm into the tissue oxygen saturation. Correlations coefficients of 0.89 (0.86, 0.77 (0.71 and 0.69 (0.43 were obtained for the tissue hemoglobin concentration (oxygen saturation values extracted using the full spectral Monte Carlo and the ratiometric analysis, for clinical measurements in head and neck, breast and cervical tissues, respectively. The ratiometric analysis was more than 4000 times faster than the inverse Monte Carlo analysis for estimating tissue hemoglobin concentration and oxygen saturation in simulated phantom experiments. In addition, the discriminatory power of the two analyses was similar. These results show the potential of such empirical tools to rapidly estimate tissue hemoglobin in real-time spectral imaging applications.

Water relations in calla lily flower stems harvested at different opening stages(

Directory of Open Access Journals (Sweden)

Thais Silva Sales

2015-12-01

Full Text Available Cut flowers are a well established product and require conservation techniques that help keep postharvest quality for marketing. In this context, the objective of this study was to evaluate different opening stages of calla lily (Zantedeschia aethiopica cut stems and their influence on posthaverst. Calla lily stems were harvested in the morning, according to the following opening stages: closed spathe, semi-closed spathe (1/3 open, semi-open spathe (2/3 open and fully open spathe. Once selected and standardized, stems were placed in a controlled room at 21 ± 2 °C and relative humidity of 75 ± 5%, for eight days. The evaluations were conducted daily, observing water pH, commercial quality analysis, width and length of the spathe, fresh weight of stem, water absorption and transpiration. The experimental design was completely randomized, with four treatments (opening stages, five replicates and two stems by plot. The model used was split plot in time, with harvest stages as plots, and evaluation days as subplots. Calla lily harvested at closed spathe and semi-closed spathe (1/3 open, showed spathe opening, although it did not achieve fully spathe expansion, had higher water uptake and hydration of flower stems, and increased water retention capacity by floral tissues until saturation, followed by a period of weight reduction caused by transpiration rates greater than absorption.

AGRONOMIC OPTIMIZATION FOR PHYTOREMEDIATION OF POLYCYCLIC AROMATIC HYDROCARBONS

Science.gov (United States)

Phytoremediation is a low-cost method of using plants to degrade, volatilize or sequester organic and metal pollutants that has been used in efforts to remediate sites contaminated with polycyclic aromatic hydrocarbon (PAH) refinery wastes. Non-native plant species aggressivel...

Use of adsorption and gas chromatographic techniques in estimating biodegradation of indigenous crude oils

International Nuclear Information System (INIS)

Kokub, D.; Allahi, A.; Shafeeq, M.; Khalid, Z.M.; Malik, K.A.; Hussain, A.

1993-01-01

Indigenous crude oils could be degraded and emulsified upto varying degree by locally isolated bacteria. Degradation and emulsification was found to be dependent upon the chemical composition of the crude oils. Tando Alum and Khashkheli crude oils were emulsified in 27 and 33 days of incubation respectively. While Joyamair crude oil and not emulsify even mainly due to high viscosity of this oil. Using adsorption chromatographic technique, oil from control (uninoculated) and bio degraded flasks was fractioned into the deasphaltened oil containing saturate, aromatic, NSO (nitrogen, sulphur, oxygen) containing hydrocarbons) and soluble asphaltenes. Saturate fractions from control and degraded oil were further analysed by gas liquid chromatography. From these analyses, it was observed that saturate fraction was preferentially utilized and the crude oils having greater contents of saturate fraction were better emulsified than those low in this fraction. Utilization of various fractions of crude oils was in the order saturate> aromatic> NSO. (author)

Investigation of saturation effects in ceramic phosphors for laser lighting

DEFF Research Database (Denmark)

Krasnoshchoka, Anastasiia; Thorseth, Anders; Dam-Hansen, Carsten

2017-01-01

We report observation of saturation effects in a Ce:LuAG and Eu-doped nitride ceramic phosphor for conversion of blue laser light for white light generation. The luminous flux from the phosphors material increases linearly with the input power until saturation effects limit the conversion....... It is shown, that the temperature of the phosphor layer influences the saturation power level and the conversion efficiency. It is also shown that the correlated color temperature (CCT), phosphor conversion efficiency and color rendering index (CRI) are dependent both on incident power and spot size diameter...... of the illumination. A phosphor conversion efficiency up to 140.8 lm/W with CRI of 89.4 was achieved. The saturation in a ceramic phosphor, when illuminated by high intensity laser diodes, is estimated to play the main role in limiting the available luminance from laser based lighting systems....

The Raman and vibronic activity of intermolecular vibrations in aromatic-containing complexes and clusters

International Nuclear Information System (INIS)

Maxton, P.M.; Schaeffer, M.W.; Ohline, S.M.; Kim, W.; Venturo, V.A.; Felker, P.M.

1994-01-01

Theoretical and experimental results pertaining to the excitation of intermolecular vibrations in the Raman and vibronic spectra of aromatic-containing, weakly bound complexes and clusters are reported. The theoretical analysis of intermolecular Raman activity is based on the assumption that the polarizability tensor of a weakly bound species is given by the sum of the polarizability tensors of its constituent monomers. The analysis shows that the van der Waals bending fundamentals in aromatic--rare gas complexes may be expected to be strongly Raman active. More generally, it predicts strong Raman activity for intermolecular vibrations that involve the libration or internal rotation of monomer moieties having appreciable permanent polarizability anisotropies. The vibronic activity of intermolecular vibrations in aromatic-rare gas complexes is analyzed under the assumption that every vibronic band gains its strength from an aromatic-localized transition. It is found that intermolecular vibrational excitations can accompany aromatic-localized vibronic excitations by the usual Franck--Condon mechanism or by a mechanism dependent on the librational amplitude of the aromatic moiety during the course of the pertinent intermolecular vibration. The latter mechanism can impart appreciable intensity to bands that are forbidden by rigid-molecule symmetry selection rules. The applicability of such rules is therefore called into question. Finally, experimental spectra of intermolecular transitions, obtained by mass-selective, ionization-detected stimulated Raman spectroscopies, are reported for benzene--X (X=Ar, --Ar 2 , N 2 , HCl, CO 2 , and --fluorene), fluorobenzene--Ar and --Kr, aniline--Ar, and fluorene--Ar and --Ar 2 . The results support the conclusions of the theoretical analyses and provide further evidence for the value of Raman methods in characterizing intermolecular vibrational level structures

Saturation flow versus green time at two-stage signal controlled intersections

Directory of Open Access Journals (Sweden)

A. Boumediene

2009-12-01

Full Text Available Intersections are the key components of road networks considerably affecting capacity. As flow levels and experience have increased over the years, methods and means have been developed to cope with growing demand for traffic at road junctions. Among various traffic control devices and techniques developed to cope with conflicting movements, traffic signals create artificial gaps to accommodate the impeded traffic streams. The majority of parameters that govern signalised intersection control and operations such as a degree of saturation, delays, queue lengths, the level of service etc. are very sensitive to saturation flow. Therefore, it is essential to reliably evaluate saturation flow for correctly setting traffic signals to avoid unnecessary delays and conflicts. Generally, almost all guidelines support the constancy of saturation flow irrespective of green time duration. This paper presents the results of field studies carried out to enable the performance of signalised intersections to be compared at different green time durations. It was found that saturation flow decreased slightly with growing green time. Reduction corresponded to between 2 and 5 pcus/gh per second of green time. However, the analyses of the discharge rate during the successive time intervals of 6-seconds showed a substantial reduction of 10% to 13% in saturation flow levels after 36 seconds of green time compared to those relating to 6–36 seconds range. No reduction in saturation flow levels was detected at the sites where only green periods of 44 seconds or less were implemented.

Modeling of carbon sequestration in coal-beds: A variable saturated simulation

International Nuclear Information System (INIS)

Liu Guoxiang; Smirnov, Andrei V.

2008-01-01

Storage of carbon dioxide in deep coal seams is a profitable method to reduce the concentration of green house gases in the atmosphere while the methane as a byproduct can be extracted during carbon dioxide injection into the coal seam. In this procedure, the key element is to keep carbon dioxide in the coal seam without escaping for a long term. It is depended on many factors such as properties of coal basin, fracture state, phase equilibrium, etc., especially the porosity, permeability and saturation of the coal seam. In this paper, a variable saturation model was developed to predict the capacity of carbon dioxide sequestration and coal-bed methane recovery. This variable saturation model can be used to track the saturation variability with the partial pressures change caused by carbon dioxide injection. Saturation variability is a key factor to predict the capacity of carbon dioxide storage and methane recovery. Based on this variable saturation model, a set of related variables including capillary pressure, relative permeability, porosity, coupled adsorption model, concentration and temperature equations were solved. From results of the simulation, historical data agree with the variable saturation model as well as the adsorption model constructed by Langmuir equations. The Appalachian basin, as an example, modeled the carbon dioxide sequestration in this paper. The results of the study and the developed models can provide the projections for the CO 2 sequestration and methane recovery in coal-beds within different regional specifics