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Sample records for aromatics saturation opening

  1. Dehydrogenative Aromatization of Saturated Aromatic Compounds by Graphite Oxide and Molecular Sieves

    Institute of Scientific and Technical Information of China (English)

    张轩; 徐亮; 王希涛; 马宁; 孙菲菲

    2012-01-01

    Graphite oxide (GO) has attracted much attention of material and catalysis chemists recently. Here we describe a combination of GO and molecular sieves for the dehydrogenative aromatization. GO prepared through improved Hummers method showed high oxidative activity in this reaction. Partially or fully saturated aromatic compounds were converted to their corresponding dehydrogenated aromatic products with fair to excellent conversions and selectivities. As both GO and molecular sieves are easily available, cheap, lowly toxic and have good tolerance to various functional groups, this reaction provides a facile approach toward aromatic compounds from their saturated precursors

  2. Linkage of Aromatic Ring Structures in Saturates, Aromatics, Resins and Asphaltenes Fractions of Vacuum Residues Determined by Collision-Induced Dissociation Technology

    Institute of Scientific and Technical Information of China (English)

    Wang Wei; Liu Yingrong; Liu Zelong; Hou Huandi; Tian Songbai

    2016-01-01

    The linkage of aromatic ring structures in vacuum residues was important for the reifning process. The Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) combined with collision-induced dissociation (CID) is a powerful method to characterize the molecular structure of petroleum fractions. In this work, model compounds with differ-ent aromatic ring structures were measured by CID FT-ICR MS. The cracking of the parent ions and the generated fragment ions were able to distinguish different linkage of the model compounds. Then, vacuum residues were separated into saturates, aromat-ics, resins and asphaltenes fractions (SARA), and each fraction was characterized by CID technology. According to the experi-mental results, the aromatic rings in saturates and aromatics fractions were mainly of the island-type structures, while the aromatic rings in resins and asphaltenes fractions had a signiifcant amount of archipelago-type structures.

  3. Upgrading of LCO by partial hydrogenation of aromatics and ring opening of naphthenes over bi-functional catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Calemma, Vincenzo; Giardino, Roberto; Ferrari, Marco [Eni R and M, Via Maritano 26, 20097 San Donato M.se (Italy)

    2010-07-15

    Available options to upgrade LCO to diesel fuel are: i) aromatic saturation (ASAT) ii) mild hydrocracking and iii) aromatic saturation followed by selective ring opening (SRO) of naphthenic structures. Although the above mentioned routes lead to significant product quality enhancement, they suffer from several disadvantages. Hydrocracking leads to significant yields in gasoline-range products, ASAT is characterized by a relatively high consumption of hydrogen with only limited improvement of product quality in terms of density and cetane properties, ASAT + SRO route leads to higher improvements of product quality but it requires a very high hydrogen consumption which strongly affects the economics of the process. An alternative upgrading route consists in partial polyaromatic compound saturation and selective opening of both naphthenic and benzo-naphthenic structures to produce less condensed naphthenic structures and alkyl-benzenes respectively. In this case the hydrogen needed to improve product quality at the same level, of cetane properties and density, is lower in comparison with ASAT. This paper reports the results obtained during a research program aimed at upgrading LCO via selective ring opening. The hydroconversion of a low sulfur hydrotreated LCO has been studied over iridium and platinum loaded on different supports. The results of this study indicate that the properties of products heavily depend on the characteristics of the support and the metal used. The data obtained with the Ir/amorphous silica-alumina (MSA) show the possibility to get a clear increase of CN and decrease of density in comparison with the mere aromatic saturation. The practical consequence of this result is the possibility of producing products with CN and density similar to products obtained by complete dearomatization but still containing a significant percentage of aromatic structures so allowing a consistent saving of hydrogen. (author)

  4. Comparison of pulseoximetry oxygen saturation and arterial oxygen saturation in open heart intensive care unit

    Directory of Open Access Journals (Sweden)

    Alireza Mahoori

    2013-08-01

    Full Text Available Background: Pulseoximetry is widely used in the critical care setting, currently used to guide therapeutic interventions. Few studies have evaluated the accuracy of SPO2 (puls-eoximetry oxygen saturation in intensive care unit after cardiac surgery. Our objective was to compare pulseoximetry with arterial oxygen saturation (SaO2 during clinical routine in such patients, and to examine the effect of mild acidosis on this relationship.Methods: In an observational prospective study 80 patients were evaluated in intensive care unit after cardiac surgery. SPO2 was recorded and compared with SaO2 obtained by blood gas analysis. One or serial arterial blood gas analyses (ABGs were performed via a radial artery line while a reliable pulseoximeter signal was present. One hundred thirty seven samples were collected and for each blood gas analyses, SaO2 and SPO2 we recorded.Results: O2 saturation as a marker of peripheral perfusion was measured by Pulseoxim-etry (SPO2. The mean difference between arterial oxygen saturation and pulseoximetry oxygen saturation was 0.12%±1.6%. A total of 137 paired readings demonstrated good correlation (r=0.754; P<0.0001 between changes in SPO2 and those in SaO2 in samples with normal hemoglobin. Also in forty seven samples with mild acidosis, paired readings demonstrated good correlation (r=0.799; P<0.0001 and the mean difference between SaO2 and SPO2 was 0.05%±1.5%.Conclusion: Data showed that in patients with stable hemodynamic and good signal quality, changes in pulseoximetry oxygen saturation reliably predict equivalent changes in arterial oxygen saturation. Mild acidosis doesn’t alter the relation between SPO2 and SaO2 to any clinically important extent. In conclusion, the pulse oximeter is useful to monitor oxygen saturation in patients with stable hemodynamic.

  5. Sorption and distribution of asphaltene, resin, aromatic and saturate fractions of heavy crude oil on quartz surface: molecular dynamic simulation.

    Science.gov (United States)

    Wu, Guozhong; He, Lin; Chen, Daoyi

    2013-09-01

    The molecular scale sorption, diffusion and distribution of asphaltene, resin, aromatic and saturate fractions of heavy crude oil on quartz surface were studied using molecular dynamic simulation. Sorption of saturates on quartz decreased by 31% when temperature increased from 298 to 398K while opposite trend was observed for resins, but insignificant changes were found in asphaltenes and aromatics. Despite of this variety, the main contribution of interactions was van der Waals energy (>90%) irrespective of molecular components and temperatures. The diffusion coefficient of saturates was predicted as 10.8×10(-10)m(2)s(-1) while that of the remaining fractions was about 4×10(-10)m(2)s(-1) at 298K. The most likely oil distribution on quartz surface was that aromatics and saturates transported randomly into and out of the complex consisting of asphaltenes surrounded by resins, which was influenced by temperature. Overall, the knowledge on quartz-oil and oil-oil interactions gained in this study is essential for future risk assessment and remediation activities as previous studies on soil remediation either limited to light oil fractions with <40 carbons or treated the heavy crude oil as a single pseudo entity ignoring the interactions between oil fractions.

  6. Saturable Nonlinearity in Photovoltaic-Photorefractive Crystals Under Open-circuit Condition

    Institute of Scientific and Technical Information of China (English)

    GUO Ru; LING Zhen-Fang; CHEN Xiao-Hu; ZHANG Guo-Quan; ZHANG Xin-Zheng; WEN Hai-Dong; JIANG Ying; LIU Si-Min

    2000-01-01

    We show that the refractive index change induced by a focused incident beam with an additional incoherent uniform illumination in photovoltaic-photorefractive crystals under open-circuit condition has a saturable nonlinearity form. The incoherent uniform background illumination can be used to increase the effective dark irradiance. The formation time of the photovoltaic soliton can be decreased by keeping the intensity of the soliton at a higher value without over-saturation by use of the background illumination.

  7. Batch washing of saturated hydrocarbons and polycyclic aromatic hydrocarbons from crude oil contaminated soils using bio-surfactant

    Institute of Scientific and Technical Information of China (English)

    张文

    2015-01-01

    Desorption of total saturated fractions (i.e. SAT, defined for this study as the summation of the concentrations of the saturated hydrocarbon from n-C10 to n-C26) and polycyclic aromatic fractions (i.e. PAH, defined as the summation of the concentrations of all polycyclic aromatic fractions including the 16 EPA priority PAH) in two types of soils subjected to the changes of pH and salinity and different bio-surfactant concentrations were investigated. In general, compared with the experiments without bio-surfactant addition, adding rhamnolipid to crude oil−water systems at concentrations above its critical micelle concentration (CMC) values benefits SAT and PAH desorption. The results indicate that the change of pH could have distinct effects on rhamnolipid performance concerning its own micelle structure and soil properties. For loam soil, the adsorption of non-aqueous phase liquid (NAPL) and rhamnolipid would be the principle limiting factors during the NAPL removal procedure. For sand soil, less amount of rhamnolipid is adsorbed onto soil. Thus, with the increase of salinity, the solubilization and desorption of rhamnolipid solution are more significant. In summary, the pH and salt sensitivity of the bio-surfactant will vary according to the specific structure of the surfactant characteristics and soil properties.

  8. Silica Chloride Nano Particle Catalyzed Ring Opening of Epoxides by Aromatic Amines

    Institute of Scientific and Technical Information of China (English)

    Karimian Ramin; Piri Farideh; Karimi Babak; Moghimi Abolghasem

    2011-01-01

    Silica chloride nano particle (nano SiO2-Cl), has been found to be heterogeneous catalyst for facile, simple and mild ring opening of epoxides with aromatic amines to afford β-amino alcohols in dry CH2Cl2 at room temperature.

  9. Sequential Isolation of Saturated, Aromatic, Resinic and Asphaltic Fractions Degrading Bacteria from Oil Contaminated Soil in South Sumatera

    Directory of Open Access Journals (Sweden)

    Pingkan Aditiawati

    2012-04-01

    Full Text Available Sequential isolation has been conducted to obtain isolates of saturated, aromatic, resin, and asphaltene fractions degrading bacteria from oil contaminated sites. Five soil samples were collected from South Sumatera. These were analyzed using soil extract medium enriched with oil recovery or Remaining-Oil recovery Degradated (ROD as sole carbon and energy sources according to the isolation stage. ROD at the end of every isolation stage analyzed oil fractions by use of the SARA analysis method. Six isolates of bacteria have been selected, one isolate was fraction saturates degrading bacteria that are Mycobacterium sp. T1H2D4-7 at degradation rate 0.0199 mgs/h with density 8.4x106 cfu/g from stage I. The isolate T2H1D2-4, identified as Pseudomonas sp. was fraction aromatics degrading bacteria at accelerate 0.0141 mgs/h with density 5.1x106 cfu/g are obtained at stage II. Two isolates namely Micrococcus sp. T3H2D4-2 and Pseudomonas sp. T1H1D5-5 were fraction resins degrading bacteria by accelerate 0.0088 mgs/h at density 5.6x106 cfu/g and 0.0089 mgs/h at density 5.7x106 cfu/g are obtained at stage III. Isolation of stage IV has been obtained two isolates Pseudomonas sp. T4H1D3-1and Pseudomonas sp. T4H3D5-4 were fraction asphaltenes degrading bacteria by accelerate 0.0057 mgs/h at density 5.6x106 cfu/g and accelerate 0.0058 mgs/h at density 5.7x106 cfu/g.

  10. Analysis of saturated and aromatic hydrocarbons migrating from a polyolefin-based hot-melt adhesive into food.

    Science.gov (United States)

    Lommatzsch, Martin; Biedermann, Maurus; Grob, Koni; Simat, Thomas J

    2016-01-01

    Hot-melt adhesives are widely utilised to glue cardboard boxes used as food packaging material. They have to comply with the requirements of Article 3 of the European Framework Regulation for food contact materials (1935/2004). The hot melt raw materials analysed mainly consisted of paraffinic waxes, hydrocarbon resins and polyolefins. The hydrocarbon resins, functioning as tackifiers, were the predominant source of hydrocarbons of sufficient volatility to migrate into dry foods: the 18 hydrocarbon resins analysed contained 8.2-118 g kg(-1) saturated and up to 59 g kg(-1) aromatic hydrocarbons eluted from GC between n-C16 and n-C24, substantially more than the paraffinic waxes and the polyolefins. These tackfier resins, especially the oligomers ≤ C24, have been characterised structurally by GC×GC-MS and (1)H-NMR spectroscopy. Migration into food was estimated using a simulating system with polenta as food simulant, which was verified by the analysis of a commercial risotto rice sample packed in a virgin fibre folding box sealed with a hot melt. About 0.5-1.5% of the potentially migrating substances (between n-C16 and n-C24) of a hot melt were found to be transferred into food under storage conditions, which can result in a food contamination in the order of 1 mg kg(-1) food (depending on the amount of potentially migrating substances from the hot melt, the hot melt surface, amount of food, contact time etc.). Migrates from hot melts are easily mistaken for mineral oil hydrocarbons from recycled cardboard.

  11. Improvement of mineral oil saturated and aromatic hydrocarbons determination in edible oil by liquid-liquid-gas chromatography with dual detection.

    Science.gov (United States)

    Zoccali, Mariosimone; Barp, Laura; Beccaria, Marco; Sciarrone, Danilo; Purcaro, Giorgia; Mondello, Luigi

    2016-02-01

    Mineral oils, which are mainly composed of saturated hydrocarbons and aromatic hydrocarbons, are widespread food contaminants. Liquid chromatography coupled to gas chromatography with flame ionization detection represents the method of choice to determine these two families. However, despite the high selectivity of this technique, the presence of olefins (particularly squalene and its isomers) in some samples as in olive oils, does not allow the correct quantification of the mineral oil aromatic hydrocarbons fraction, requiring additional off-line tools to eliminate them. In the present research, a novel on-line liquid chromatography coupled to gas chromatography method is described for the determination of hydrocarbon contamination in edible oils. Two different liquid chromatography columns, namely a silica one (to retain the bulk of the matrix) and a silver-ion one (which better retains the olefins), were coupled in series to obtain the mineral oil aromatic hydrocarbons hump free of interfering peaks. Furthermore, the use of a simultaneous dual detection, flame ionization detector and triple quadrupole mass spectrometer allowed us not only to quantify the mineral oil contamination, but also to evaluate the presence of specific markers (i.e. hopanes) to confirm the petrogenic origin of the contamination.

  12. Retinal and choroidal oxygen saturation of the optic nerve head in open-angle glaucoma subjects by multispectral imaging.

    Science.gov (United States)

    Li, Gai-Yun; Al-Wesabi, Samer Abdo; Zhang, Hong

    2016-12-01

    The aim of this study was to determine whether differences exist in oxygen supply to the optic nerve head (ONH) from the retinal and choroidal vascular layers in patients with primary open angle glaucoma (POAG) using multispectral imaging (MSI).This ia an observational, cross-sectional study.Multispectral images were acquired from 38 eyes of 19 patients with POAG, and 42 healthy eyes from 21 matched volunteers with Annidis' RHA multispectral digital ophthalmoscopy. Superficial and deeper oxygen saturation of the optic disc was represented by the mean gray scale values on the retinal and choroidal oxy-deoxy maps, respectively. Statistical analysis was performed to detect differences in ONH oxygen saturation between the 2 groups. Oxygen saturation levels in the eyes of POAG patients with severe glaucoma were compared to those of fellow eyes from the same subjects. Linear correlation analysis was performed to assess the association between ONH oxygen saturation and systemic and ocular parameters.No statistical difference was found in retinal and choroidal oxygen saturation between the POAG and control groups. In the glaucoma patients, retinal oxygen saturation was lower for eyes with worse visual fields than in those with good visual fields (t = 4.009, P = 0.001). In POAG patients, retinal oxygen saturation was dependent on mean defect of visual field and retinal nerve fiber layer thickness (RNFLT) (r = 0.511, 0.504, P = 0.001, 0.001, respectively), whereas the choroid vasculature oxygen saturation was inversely related to RNFLT (r = -0.391, P = 0.015). An age-dependent increase in retinal oxygen saturation was found for both the POAG and control groups (r = 0.473, 0.410, P = 0.007, 0.003, respectively).MSI revealed a significant correlation between functional and structural impairments in glaucoma and retinal oxygen saturation. MSI could provide objective assessments of perfusion impairments of the glaucomatous ONH. This is a

  13. Geochemical characterization of lower Toarcian source rocks from NW Germany: interpretation of aromatic and saturated hydrocarbons in relation to depositional environment and maturation effects

    Energy Technology Data Exchange (ETDEWEB)

    Radke, M.; Schaefer, R.G. [Institut fuer Erdol und Organische Geochemie, Juelich (Germany); Vriend, S.P. [University of Utrecht (Netherlands). Institute of Earth Sciences

    2001-07-01

    The characterization of crude oils in terms of source rock facies and depositional environment, as well as their maturity and alteration stage, is a crucial element in exploration studies. The present contribution has implications for oil-oil and oil-source rock correlations. In the past, numerous parameters have been used for this purpose most of which are based on the analysis of saturated and aromatic hydrocarbons (including sulphur aromatics) and also on stable isotope signatures and elemental compositions. Recently, molecular indicators based on dibenzothiophene (DBT), phenanthrene (PHE) and their methyl derivatives methyldlbenzothiophene (MDBT) an methylphenanthrene, as well as pristane (PRI) and phytane (PHY), have also been proposed (Hughes et al, 1995). These studies have attempted to infer a crude oil's source rock facies and lithology, and to classify the source rock's depositional environment. In the present study, the above compounds have been quantified by solvent extraction, liquid chromatography and capillary gas chromatography in 98 core samples of the Lower Toarcian Posidonia Shale Formation, a source rock in NW Germany. Most samples cored between depths of 7m and 70 m, came from the Hils Half-Graben in the Lower Saxony Basin. With a few exceptions from on borehole, the samples were unweathered maris or calcareous shales. The rocks contained mainly marine organic matter (Type 1 kerogen), the thermal maturity of which ranged from early mature to postmature (corresponding to 0.48-1.44% mean vitrinite reflectance), therefore encompassing the range over which effective petroleum generation had occurred. We found that the influence of organic matter type and maturity on the molecular distributions of the above compounds were not obvious when interpreted in term of a DBT/PHE vs PRI/PHY diagram. However, Principal Component Analysis (PCA) of our data-set showed that alkylphenanthren concentrations are strongly controlled by maturity, while the

  14. The effect of β-saturated pyrrolic rings on the electronic structures and aromaticity of magnesium porphyrin derivatives: a density functional study.

    Science.gov (United States)

    Wan, Liang; Qi, Dongdong; Zhang, Yuexing

    2011-09-01

    Density functional theory (DFT) calculation on the molecular structures, molecular orbitals, electronic absorption spectra, and magnetic properties of magnesium porphyrin (MgPor) and a series of five hydrogenated magnesium porphyrin complexes with different number of β-saturated pyrrolic rings, namely MgPor-β-1Hy, MgPor-β-opp-2Hy, MgPor-β-adj-2Hy, MgPor-β-3Hy, and MgPor-β-4Hy, clarifies the red-shift of the lowest energy absorption band from chlorophyll a to bacteriochlorophyll and reveals the strong chemical stability for both of them. The energy levels of highest occupied molecular orbitals (HOMO) and HOMO-1 for MgPor are reversed upon hydrogenation at β-positions (2 and 3, 7 and 8, 12 and 13, and 17 and 18) of porphyrin ring. Along with the increase of β-saturated pyrrolic rings from 1, 2, 3, to 4, the HOMO energy increases from -4.78 eV to -3.10 eV in a regular manner. In contrast, the lowest unoccupied molecular orbitals (LUMO) energy levels of MgPor, MgPor-β-1Hy, and MgPor-β-opp-2Hy are very similar with each other. As a result, the lowest energy absorption band involving main transition from HOMO to LUMO is red-shifted from MgPor-β-1Hy to MgPor-β-opp-2Hy which is representative of chlorophyll a and bacteriochlorophyll, respectively. Natural hydroporphyrins represented by MgPor, MgPor-β-1Hy, and MgPor-β-opp-2Hy have turned out to be aromatic and stable enough, in good accordance with the ubiquity of their derivatives in the nature. In contrast, MgPor-β-adj-2Hy, MgPor-β-3Hy, and MgPor-β-4Hy with relatively weak aromaticity seem to be unstable and therefore were not found in nature.

  15. 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].

  16. Rapid and sensitive solid phase extraction-large volume injection-gas chromatography for the analysis of mineral oil saturated and aromatic hydrocarbons in cardboard and dried foods.

    Science.gov (United States)

    Moret, Sabrina; Barp, Laura; Purcaro, Giorgia; Conte, Lanfranco S

    2012-06-22

    A rapid off-line solid phase extraction-large volume injection-gas chromatography-flame ionisation detection (SPE-LVI-GC-FID) method, based on the use of silver silica gel and low solvent consumption, was developed for mineral oil saturated hydrocarbon (MOSH) and mineral oil aromatic hydrocarbon (MOAH) determination in cardboard and dried foods packaged in cardboard. The SPE method was validated using LVI with a conventional on-column injector and the retention gap technique (which allowed to inject up to 50 μL of the sample). Detector response was linear over all the concentration range tested (0.5-250 μg/mL), recoveries were practically quantitative, repeatability was good (coefficients of variation lower than 7%) and limit of quantification adequate to quantify the envisioned limit of 0.15 mg/kg proposed in Germany for MOAH analysis in food samples packaged in recycled cardboard. Rapid heating of the GC oven allowed to increase sample throughput (3-4 samples per hour) and to enhance sensitivity. The proposed method was used for MOSH and MOAH determination in selected food samples usually commercialised in cardboard packaging. The most contaminated was a tea sample (102.2 and 7.9 mg/kg of MOSH and MOAH below n-C25, respectively), followed by a rice and a sugar powder sample, all packaged in recycled cardboard.

  17. Saturation mutagenesis of Bradyrhizobium sp. BTAi1 toluene 4-monooxygenase at alpha-subunit residues proline 101, proline 103, and histidine 214 for regiospecific oxidation of aromatics.

    Science.gov (United States)

    Yanık-Yıldırım, K Cansu; Vardar-Schara, Gönül

    2014-11-01

    A novel toluene monooxygenase (TMO) six-gene cluster from Bradyrhizobium sp. BTAi1 having an overall 35, 36, and 38 % protein similarity with toluene o-xylene monooxygenase (ToMO) of Pseudomonas sp. OX1, toluene 4-monooxygenase (T4MO) of Pseudomonas mendocina KR1, and toluene-para-monooxygenase (TpMO) of Ralstonia pickettii PKO1, respectively, was cloned and expressed in Escherichia coli TG1, and its potential activity was investigated for aromatic hydroxylation and trichloroethylene (TCE) degradation. The natural substrate toluene was hydroxylated to p-cresol, indicating that the new toluene monooxygenase (T4MO·BTAi1) acts as a para hydroxylating enzyme, similar to T4MO and TpMO. Some shifts in regiospecific hydroxylations were observed compared to the other wild-type TMOs. For example, wild-type T4MO·BTAi1 formed catechol (88 %) and hydroquinone (12 %) from phenol, whereas all the other wild-type TMOs were reported to form only catechol. Furthermore, it was discovered that TG1 cells expressing wild-type T4MO·BTAi1 mineralized TCE at a rate of 0.67 ± 0.10 nmol Cl(-)/h/mg protein. Saturation and site directed mutagenesis were used to generate eight variants of T4MO·BTAi1 at alpha-subunit positions P101, P103, and H214: P101T/P103A, P101S, P101N/P103T, P101V, P103T, P101V/P103T, H214G, and H214G/D278N; by testing the substrates phenol, nitrobenzene, and naphthalene, positions P101 and P103 were found to influence the regiospecific oxidation of aromatics. For example, compared to wild type, variant P103T produced four fold more m-nitrophenol from nitrobenzene as well as produced mainly resorcinol (60 %) from phenol whereas wild-type T4MO·BTAi1 did not. Similarly, variants P101T/P103A and P101S synthesized more 2-naphthol and 2.3-fold and 1.6-fold less 1-naphthol from naphthalene, respectively.

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

    Science.gov (United States)

    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.

  19. Salicylic acid analogues as chemical exchange saturation transfer MRI contrast agents for the assessment of brain perfusion territory and blood-brain barrier opening after intra-arterial infusion.

    Science.gov (United States)

    Song, Xiaolei; Walczak, Piotr; He, Xiaowei; Yang, Xing; Pearl, Monica; Bulte, Jeff Wm; Pomper, Martin G; McMahon, Michael T; Janowski, Mirosław

    2016-07-01

    The blood-brain barrier (BBB) is a major obstacle for drug delivery to the brain. Predicted, focal opening of the BBB through intra-arterial infusion of hyperosmolar mannitol is feasible, but there is a need to facilitate imaging techniques (e.g. MRI) to guide interventional procedures and assess the outcomes. Here, we show that salicylic acid analogues (SAA) can depict the brain territory supplied by the catheter and detect the BBB opening, through chemical exchange saturation transfer (CEST) MRI. Hyperosmolar SAA solutions themselves are also capable of opening the BBB, and, when multiple SAA agents were co-injected, their locoregional perfusion could be differentiated.

  20. Scientific Opinion on the safety and efficacy of aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols and esters with esters containing tertiary alcohols ethers (chemical group 6 when used as flavourings for all animal species

    Directory of Open Access Journals (Sweden)

    EFSA Panel on Additives and Products or Substances used in Animal Feed (FEEDAP

    2012-11-01

    Full Text Available Chemical group 6 consists of aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols and esters with esters containing tertiary alcohols ethers, of which 13 are currently authorised for use as flavours in food. The high use level proposed by the applicant for linalool (25 mg/kg complete feed is safe for salmonids, veal calves, cattle for fattening and pets (excluding cats without a margin of safety with the exception of dogs (SF = 1.4. The safe use level for pigs and dairy cows is 20, for piglets 12 and for poultry 10 mg/kg complete feed. The high use level of 5 mg/kg complete feed for linalyl acetate, linalyl butyrate, linalyl formate, linalyl propionate, linalyl isobutyrate, terpineol, α-terpineol and terpineol acetate and 4-terpinenol is safe for all species with a margin of safety of 1.2 to 12. For nerolidol, 2-methyl-1-phenylpropan-2-ol and 2-(4-methylphenylpropan-2-ol, the maximum safe concentration is 1 mg/kg complete feed for pigs and poultry and 1.5 mg/kg complete feed for all other species. The absence of a margin of safety would not allow the simultaneous administration in feed and water for drinking of the following compounds: linalool, nerolidol, 2-methyl-1-phenylpropan-2-ol and 2-(4methylphenylpropan-2-ol. No safety concern would arise for the consumer from the use of compounds belonging to CG 6 up to the highest safe level in feedingstuffs for all animal species. All compounds should be considered as irritants to skin, eyes and respiratory tract, and as skin sensitisers. All compounds of CG 6 are predicted to be safe to the soil compartment when used at levels safe to the target species. Using predictions based on chemical structure, 2-methyl-1-phenylpropan-2-ol and 2-(4-methylphenylpropan-2-ol were estimated to be safe to aquatic compartments. In the absence of experimental data, safety to aquatic compartments could not be established for linalyl butyrate, linalyl isobutyrate, terpineol acetate, 4

  1. Fiscal 1996 international research cooperation project. Feasibility study of finding out the seeds of international joint research (technology for effective use of saturated hydrocarbon, technology for reducing excess of aromatic hydrocarbon, high-grade treatment technology of petroleum coke); 1996 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)

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-03-01

    This project is aimed at internationally cooperating in the R and D of industrial technology and improving industrial technology of Japan. For it, the following three technologies were investigated: (1) technology for effective use of saturated hydrocarbon, (2) technology for reducing excess of aromatic hydrocarbon, (3) high-grade treatment technology of petroleum coke. In (1), surveys were conducted of technologies of effective use of natural gas and effective use of C4 saturated hydrocarbon. Surveyed were a method for producing synthesis gas from natural gas, a technology to liquefy natural gas into fuel following the synthesis gas production process, a technology to liquefy natural gas into fuel without the synthesis gas production process, and the trend of effective use of C4 saturated hydrocarbon. In (2), surveys were made of process to reduce production of aromatic hydrocarbon as much as possible, process to effectively separate aromatic hydrocarbon, and process to convert excess aromatic hydrocarbon into polymer, etc. In (3), surveys were conducted on petroleum coke and pitch in terms of production methods, the supply/demand situation, property characteristics, usability to new fields, etc. 170 refs., 114 figs., 65 tabs.

  2. Advances towards aromatic oligoamide foldamers

    DEFF Research Database (Denmark)

    Hjelmgaard, Thomas; Plesner, Malene; Dissing, Mette Marie;

    2014-01-01

    We have efficiently synthesized 36 arylopeptoid dimers with ortho-, meta-, and para-substituted aromatic backbones and tert-butyl or phenyl side chains. The dimers were synthesized by using a "submonomer method" on solid phase, by applying a simplified common set of reaction conditions. X......-ray crystallographic analysis of two of these dimers disclosed that the tert-butyl side chain invokes a cis amide conformation with a comparatively more closely packed structure of the surrounding aromatic backbone while the phenyl side chain results in a trans amide conformation with a more open, extended structure...... of the surrounding aromatic backbone. Investigation of the X-ray structures of two arylopeptoid dimers disclosed that the tert-butyl side chain invokes a cis amide conformation with a closely packed structure of the surrounding aromatic backbone while the phenyl side chain results in a trans amide conformation...

  3. Aromatic graphene

    Science.gov (United States)

    Das, D. K.; Sahoo, S.

    2016-04-01

    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.

  4. Dehalogenation of aromatics by nucleophilic aromatic substitution.

    Science.gov (United States)

    Sadowsky, Daniel; McNeill, Kristopher; Cramer, Christopher J

    2014-09-16

    Nucleophilic aromatic substitution has been implicated as a mechanism for both the biotic and abiotic hydrodehalogenation of aromatics. Two mechanisms for the aqueous dehalogenation of aromatics involving nucleophilic aromatic substitution with hydride as a nucleophile are investigated using a validated density functional and continuum solvation protocol. For chlorinated and brominated aromatics, nucleophilic addition ortho to carbon-halogen bonds via an anionic intermediate is predicted to be the preferred mechanism in the majority of cases, while concerted substitution is predicted to be preferred for most fluorinated aromatics. Nucleophilic aromatic substitution reactions with the hydroxide and hydrosulfide anions as nucleophiles are also investigated and compared.

  5. Saturated fat (image)

    Science.gov (United States)

    Saturated fat can raise blood cholesterol and can put you at risk for heart disease and stroke. You ... or limit any foods that are high in saturated fat. Sources of saturated fat include whole-milk dairy ...

  6. Theory of graphene saturable absorption

    CERN Document Server

    Marini, A; de Abajo, F J Garcia

    2016-01-01

    Saturable absorption is a non-perturbative nonlinear optical phenomenon that plays a pivotal role in the generation of ultrafast light pulses. Here we show that this effect emerges in graphene at unprecedentedly low light intensities, thus opening avenues to new nonlinear physics and applications in optical technology. Specifically, we theoretically investigate saturable absorption in extended graphene by developing a non-perturbative single-particle approach, describing conduction-electron dynamics in the atomically-thin material using the two-dimensional Dirac equation for massless Dirac fermions, which is recast in the form of generalized Bloch equations. By solving the electron dynamics non-perturbatively, we account for both interband and intraband contributions to the intensity-dependent saturated conductivity and conclude that the former dominates regardless of the intrinsic doping state of the material. The results are in excellent agreement with atomistic quantum-mechanical simulations including high...

  7. Volatilisation of aromatic hydrocarbons from soil

    DEFF Research Database (Denmark)

    Lindhardt, B.; Christensen, T.H.

    1996-01-01

    The non-steady-state fluxes of aromatic hydrocarbons were measured in the laboratory from the surface of soils contaminated with coal tar Four soil samples from a former gasworks site were used for the experiments. The fluxes were quantified for 11 selected compounds, 4 mono- and 7 polycyclic...... aromatic hydrocarbons, for a period of up to 8 or 16 days. The concentrations of the selected compounds in the soils were between 0.2 and 3,100 mu g/g. The study included the experimental determination of the distribution coefficient of the aromatic hydrocarbons between the sorbed phase and the water under...... saturated conditions. The determined distribution coefficients showed that the aromatic hydrocarbons were more strongly sorbed to the total organic carbon including the coal tar pitch - by a factor of 8 to 25 - than expected for natural organic matter. The fluxes were also estimated using an analytical...

  8. Reactivity of Tp(Me2) -supported yttrium alkyl complexes toward aromatic N-heterocycles: ring-opening or C-C bond formation directed by C-H activation.

    Science.gov (United States)

    Yi, Weiyin; Zhang, Jie; Huang, Shujian; Weng, Linhong; Zhou, Xigeng

    2014-01-13

    Unusual chemical transformations such as three-component combination and ring-opening of N-heterocycles or formation of a carbon-carbon double bond through multiple C-H activation were observed in the reactions of Tp(Me2) -supported yttrium alkyl complexes with aromatic N-heterocycles. The scorpionate-anchored yttrium dialkyl complex [Tp(Me2) Y(CH2 Ph)2 (THF)] reacted with 1-methylimidazole in 1:2 molar ratio to give a rare hexanuclear 24-membered rare-earth metallomacrocyclic compound [Tp(Me2) Y(μ-N,C-Im)(η(2) -N,C-Im)]6 (1; Im=1-methylimidazolyl) through two kinds of C-H activations at the C2- and C5-positions of the imidazole ring. However, [Tp(Me2) Y(CH2 Ph)2 (THF)] reacted with two equivalents of 1-methylbenzimidazole to afford a C-C coupling/ring-opening/C-C coupling product [Tp(Me2) Y{η(3) -(N,N,N)-N(CH3 )C6 H4 NHCHC(Ph)CN(CH3 )C6 H4 NH}] (2). Further investigations indicated that [Tp(Me2) Y(CH2 Ph)2 (THF)] reacted with benzothiazole in 1:1 or 1:2 molar ratio to produce a C-C coupling/ring-opening product {(Tp(Me2) )Y[μ-η(2) :η(1) -SC6 H4 N(CHCHPh)](THF)}2 (3). Moreover, the mixed Tp(Me2) /Cp yttrium monoalkyl complex [(Tp(Me2) )CpYCH2 Ph(THF)] reacted with two equivalents of 1-methylimidazole in THF at room temperature to afford a trinuclear yttrium complex [Tp(Me2) CpY(μ-N,C-Im)]3 (5), whereas when the above reaction was carried out at 55 °C for two days, two structurally characterized metal complexes [Tp(Me2) Y(Im-Tp(Me2) )] (7; Im-Tp(Me2) =1-methyl-imidazolyl-Tp(Me2) ) and [Cp3 Y(HIm)] (8; HIm=1-methylimidazole) were obtained in 26 and 17 % isolated yields, respectively, accompanied by some unidentified materials. The formation of 7 reveals an uncommon example of construction of a CC bond through multiple C-H activations.

  9. 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...

  10. Saturating Sperner families

    CERN Document Server

    Gerbner, Dániel; Lemons, Nathan; Pálvölgyi, Dömötör; Palmer, Cory; Patkós, Balázs

    2011-01-01

    A family $\\cF \\subseteq 2^{[n]}$ saturates the monotone decreasing property $\\cP$ if $\\cF$ satisfies $\\cP$ and one cannot add any set to $\\cF$ such that property $\\cP$ is still satisfied by the resulting family. We address the problem of finding the minimum size of a family saturating the $k$-Sperner property and the minimum size of a family that saturates the Sperner property and that consists only of $l$-sets and $(l+1)$-sets.

  11. Saturated Domino Coverings

    CERN Document Server

    Buchanan, Andrew; Ryba, Alex

    2011-01-01

    A domino covering of a board is saturated if no domino is redundant. We introduce the concept of a fragment tiling and show that a minimal fragment tiling always corresponds to a maximal saturated domino covering. The size of a minimal fragment tiling is the domination number of the board. We define a class of regular boards and show that for these boards the domination number gives the size of a minimal X-pentomino covering. Natural sequences that count maximal saturated domino coverings of square and rectangular boards are obtained. These include the new sequences A193764, A193765, A193766, A193767, and A193768 of OEIS.

  12. Study on Reduction of β-Aromatic Amino Substituted Triazolyl Ketene Compounds

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    A series of β-aromatic amino substituted triazolyl ketenes were reduced at different conditions to enols and saturated alcohols, respectively.The preliminary biological tests showed that some of them exhibit good fungicidal activities.

  13. Saturation and geometrical scaling

    CERN Document Server

    Praszalowicz, Michal

    2016-01-01

    We discuss emergence of geometrical scaling as a consequence of the nonlinear evolution equations of QCD, which generate a new dynamical scale, known as the saturation momentum: Qs. In the kinematical region where no other energy scales exist, particle spectra exhibit geometrical scaling (GS), i.e. they depend on the ratio pT=Qs, and the energy dependence enters solely through the energy dependence of the saturation momentum. We confront the hypothesis of GS in different systems with experimental data.

  14. Screening of Newborn Saturation

    Directory of Open Access Journals (Sweden)

    Senem Ozgur

    2014-08-01

    Full Text Available In terms of the incidence, congenital heart diseases ranks first among congenital problems in the neonatal period. Although some of those diseases are with significant clinical findings, they might be insignificant in most cases. Standardization methods have been studied in variety of points, and oxygen saturation by pulse oximetry is thougt to be a good alternative to physical examination. In several studies, it is mentioned that some of congenital heart diseases are diagnosed by saturation screening. However, the benefits of this method are marred with the false negative and false positive rates. Therefore, in 2011 American Academy of Pediatrics has revised its saturation algorithm for scanning. It was aimed to have a standardization in saturation detecting time and evaluation of achieved saturation in newborns. Despite all efforts, some newborns with congenital heart disease are not diagnosed before discharging. We beleive that the details of saturation measurements are needed to be carefully evaluated because although these measurements are widely used their details are not well known. [Archives Medical Review Journal 2014; 23(4.000: 587-604

  15. 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...

  16. Global aromatics supply. Today and tomorrow

    Energy Technology Data Exchange (ETDEWEB)

    Bender, M. [BASF SE, Ludwigshafen (Germany)

    2013-11-01

    Aromatics are the essential building blocks for some of the largest petrochemical products in today's use. To the vast majority they are consumed to produce intermediates for polymer products and, hence, contribute to our modern lifestyle. Their growth rates are expected to be in line with GDP growth in future. This contrasts the significantly lower growth rates of the primary sources for aromatics - fuel processing and steam cracking of naphtha fractions. A supply gap can be expected to open up in future for which creative solutions will be required. (orig.)

  17. Pump for Saturated Liquids

    Science.gov (United States)

    Elliott, D. G.

    1986-01-01

    Boiling liquids pumped by device based on proven components. Expanding saturated liquid in nozzle and diverting its phases along separate paths in liquid/vapor separator raises pressure of liquid. Liquid cooled in process. Pump makes it unnecessary to pressurize cryogenic liquids in order to pump them. Problems of introducing noncondensable pressurizing gas avoided.

  18. Biodegradation of diesel/biodiesel blends in saturated sand microcosms

    DEFF Research Database (Denmark)

    Lisiecki, Piotr; Chrzanowski, Łukasz; Szulc, Alicja

    2014-01-01

    The aim of the study was to evaluate the biodegradation extent of both aromatic and aliphatic hydrocarbon fractions in saturated sandy microcosm spiked with diesel/biodiesel blends (D, B10, B20, B30, B40, B50, B60, B70, B80, B90 and B100, where D is commercial petroleum diesel fuel and B is comme......The aim of the study was to evaluate the biodegradation extent of both aromatic and aliphatic hydrocarbon fractions in saturated sandy microcosm spiked with diesel/biodiesel blends (D, B10, B20, B30, B40, B50, B60, B70, B80, B90 and B100, where D is commercial petroleum diesel fuel and B...... is commercial biodiesel blend) augmented with a bacterial consortium of petroleum degraders. The biodegradation kinetics for blends were evaluated based on measuring the amount of emitted CO2 after 578 days. Subsequently, the residual aromatic and aliphatic fractions were separated and determined by employing...... GC-FID and GC _ GC–TOF-MS. Additionally, the influence of biodiesel-amendment on the community dynamics was assessed based on the results of real-time PCR analyzes. Our results suggest that the biodegradation extents of both aliphatic and aromatic hydrocarbon were uninfluenced by the addition...

  19. Conformal invariant saturation

    CERN Document Server

    Navelet, H

    2002-01-01

    We show that, in onium-onium scattering at (very) high energy, a transition to saturation happens due to quantum fluctuations of QCD dipoles. This transition starts when the order alpha^2 correction of the dipole loop is compensated by its faster energy evolution, leading to a negative interference with the tree level amplitude. After a derivation of the the one-loop dipole contribution using conformal invariance of the elastic 4-gluon amplitude in high energy QCD, we obtain an exact expression of the saturation line in the plane (Y,L) where Y is the total rapidity and L, the logarithm of the onium scale ratio. It shows universal features implying the Balitskyi - Fadin - Kuraev - Lipatov (BFKL) evolution kernel and the square of the QCD triple Pomeron vertex. For large L, only the higher BFKL Eigenvalue contributes, leading to a saturation depending on leading log perturbative QCD characteristics. For initial onium scales of same order, however, it involves an unlimited summation over all conformal BFKL Eigen...

  20. Aromatic-aromatic interactions between residues in KCa3.1 pore helix and S5 transmembrane segment control the channel gating process.

    Science.gov (United States)

    Garneau, Line; Klein, Hélène; Lavoie, Marie-France; Brochiero, Emmanuelle; Parent, Lucie; Sauvé, Rémy

    2014-02-01

    The Ca(2+)-activated potassium channel KCa3.1 is emerging as a therapeutic target for a large variety of health disorders. One distinguishing feature of KCa3.1 is that the channel open probability at saturating Ca(2+) concentrations (Pomax) is low, typically 0.1-0.2 for KCa3.1 wild type. This observation argues for the binding of Ca(2+) to the calmodulin (CaM)-KCa3.1 complex, promoting the formation of a preopen closed-state configuration leading to channel opening. We have previously shown that the KCa3.1 active gate is most likely located at the level of the selectivity filter. As Ca(2+)-dependent gating of KCa3.1 originates from the binding of Ca(2+) to CaM in the C terminus, the hypothesis of a gate located at the level of the selectivity filter requires that the conformational change initiated in the C terminus be transmitted to the S5 and S6 transmembrane helices, with a resulting effect on the channel pore helix directly connected to the selectivity filter. A study was thus undertaken to determine to what extent the interactions between the channel pore helix with the S5 and S6 transmembrane segments contribute to KCa3.1 gating. Molecular dynamics simulations first revealed that the largest contact area between the pore helix and the S5 plus S6 transmembrane helices involves residue F248 at the C-terminal end of the pore helix. Unitary current recordings next confirmed that modulating aromatic-aromatic interactions between F248 and W216 of the S5 transmembrane helical segment and/or perturbing the interactions between F248 and residues in S6 surrounding the glycine hinge G274 cause important changes in Pomax. This work thus provides the first evidence for a key contribution of the pore helix in setting Pomax by stabilizing the channel closed configuration through aromatic-aromatic interactions involving F248 of the pore helix. We propose that the interface pore helix/S5 constitutes a promising site for designing KCa3.1 potentiators.

  1. The saturable absorption and reverse saturable absorption properties of Cu doped zinc oxide thin films

    Science.gov (United States)

    Yao, Cheng-Bao; Wen, Xin; Li, Qiang-Hua; Yan, Xiao-Yan; Li, Jin; Zhang, Ke-Xin; Sun, Wen-Jun; Bai, Li-Na; Yang, Shou-Bin

    2017-03-01

    We present the structure and nonlinear absorption (NLA) properties of Cu-doped ZnO (CZO) films prepared by magnetron sputtering. The films were characterized using X-ray diffraction (XRD) and scanning electron microscopy (SEM), respectively. The results show that the CZO films can maintain a wurtzite structure. Furthermore, the open-aperture (OA) Z-scan measurements of the film were carried out by nanosecond laser pulse. A transition from saturable absorption (SA) to reverse saturable absorption (RSA) was observed as the excitation intensity increasing. With good excellent nonlinear optical coefficient, the samples were expected to be the potential applications in optical devices.

  2. Saturated Zone Colloid Transport

    Energy Technology Data Exchange (ETDEWEB)

    H. S. Viswanathan

    2004-10-07

    This scientific analysis provides retardation factors for colloids transporting in the saturated zone (SZ) and the unsaturated zone (UZ). These retardation factors represent the reversible chemical and physical filtration of colloids in the SZ. The value of the colloid retardation factor, R{sub col} is dependent on several factors, such as colloid size, colloid type, and geochemical conditions (e.g., pH, Eh, and ionic strength). These factors are folded into the distributions of R{sub col} that have been developed from field and experimental data collected under varying geochemical conditions with different colloid types and sizes. Attachment rate constants, k{sub att}, and detachment rate constants, k{sub det}, of colloids to the fracture surface have been measured for the fractured volcanics, and separate R{sub col} uncertainty distributions have been developed for attachment and detachment to clastic material and mineral grains in the alluvium. Radionuclides such as plutonium and americium sorb mostly (90 to 99 percent) irreversibly to colloids (BSC 2004 [DIRS 170025], Section 6.3.3.2). The colloid retardation factors developed in this analysis are needed to simulate the transport of radionuclides that are irreversibly sorbed onto colloids; this transport is discussed in the model report ''Site-Scale Saturated Zone Transport'' (BSC 2004 [DIRS 170036]). Although it is not exclusive to any particular radionuclide release scenario, this scientific analysis especially addresses those scenarios pertaining to evidence from waste-degradation experiments, which indicate that plutonium and americium may be irreversibly attached to colloids for the time scales of interest. A section of this report will also discuss the validity of using microspheres as analogs to colloids in some of the lab and field experiments used to obtain the colloid retardation factors. In addition, a small fraction of colloids travels with the groundwater without any significant

  3. PROGRESS IN CATALYST AND PROCESS DEVELOPMENT FOR LOW SULFUR AND LOW AROMATICS DIESEL PRODUCTION

    Institute of Scientific and Technical Information of China (English)

    ZHOUYong; HANChong-ren

    2003-01-01

    The article includes three parts:①The development and performance of FH-DS catalyst for deep and ultra -deep distillate HDS;②The single stage HDS/HDA hydrotreating process for the production of low sulfur and low aromatics diesels from straight run and coker AGO by using highly active base metal catalyst at moderate pressure;③A two-stage aromatics saturation system utilizing noble metal catalyst in the second stage developed for production of low sulfur and low aromatics diesel from LCO.FDA catalyst developed by FRIPP has high activity for aromatics saturation together with high tolerance for sulfur and nitrogen in the feed.The process is effective in reducing density and increasing cetane number.

  4. Saturated fats: what dietary intake?

    Science.gov (United States)

    German, J Bruce; Dillard, Cora J

    2004-09-01

    Public health recommendations for the US population in 1977 were to reduce fat intake to as low as 30% of calories to lower the incidence of coronary artery disease. These recommendations resulted in a compositional shift in food materials throughout the agricultural industry, and the fractional content of fats was replaced principally with carbohydrates. Subsequently, high-carbohydrate diets were recognized as contributing to the lipoprotein pattern that characterizes atherogenic dyslipidemia and hypertriacylglycerolemia. The rising incidences of metabolic syndrome and obesity are becoming common themes in the literature. Current recommendations are to keep saturated fatty acid, trans fatty acid, and cholesterol intakes as low as possible while consuming a nutritionally adequate diet. In the face of such recommendations, the agricultural industry is shifting food composition toward lower proportions of all saturated fatty acids. To date, no lower safe limit of specific saturated fatty acid intakes has been identified. This review summarizes research findings and observations on the disparate functions of saturated fatty acids and seeks to bring a more quantitative balance to the debate on dietary saturated fat. Whether a finite quantity of specific dietary saturated fatty acids actually benefits health is not yet known. Because agricultural practices to reduce saturated fat will require a prolonged and concerted effort, and because the world is moving toward more individualized dietary recommendations, should the steps to decrease saturated fatty acids to as low as agriculturally possible not wait until evidence clearly indicates which amounts and types of saturated fatty acids are optimal?

  5. Testing Saturation at Hadron Colliders

    CERN Document Server

    Marquet, C

    2003-01-01

    We extend the saturation models a la Golec-Biernat and Wusthoff to cross-sections of hard processes initiated by virtual-gluon probes separated by large rapidity intervals at hadron colliders. We derive their analytic expressions and apply them to physical examples, such as saturation effects for Mueller-Navelet jets. By comparison to gamma*-gamma* cross-sections we find a more abrupt transition to saturation. We propose to study observables with a potentially clear saturation signal and to use heavy vector and flavored mesons as alternative virtual-gluon probes.

  6. Epoxy Coenzyme A Thioester pathways for degradation of aromatic compounds.

    Science.gov (United States)

    Ismail, Wael; Gescher, Johannes

    2012-08-01

    Aromatic compounds (biogenic and anthropogenic) are abundant in the biosphere. Some of them are well-known environmental pollutants. Although the aromatic nucleus is relatively recalcitrant, microorganisms have developed various catabolic routes that enable complete biodegradation of aromatic compounds. The adopted degradation pathways depend on the availability of oxygen. Under oxic conditions, microorganisms utilize oxygen as a cosubstrate to activate and cleave the aromatic ring. In contrast, under anoxic conditions, the aromatic compounds are transformed to coenzyme A (CoA) thioesters followed by energy-consuming reduction of the ring. Eventually, the dearomatized ring is opened via a hydrolytic mechanism. Recently, novel catabolic pathways for the aerobic degradation of aromatic compounds were elucidated that differ significantly from the established catabolic routes. The new pathways were investigated in detail for the aerobic bacterial degradation of benzoate and phenylacetate. In both cases, the pathway is initiated by transforming the substrate to a CoA thioester and all the intermediates are bound by CoA. The subsequent reactions involve epoxidation of the aromatic ring followed by hydrolytic ring cleavage. Here we discuss the novel pathways, with a particular focus on their unique features and occurrence as well as ecological significance.

  7. Saturation of Zonal Flows

    Science.gov (United States)

    Kim, Eun-Jin

    2002-11-01

    Zonal flows (ZF) are generated by drift wave (DW) turbulence and then regulate it near marginality by shear suppression. Since collisions damp ZF while ZF suppress DW, the amplitude of DW turbulence (i.e. turbulent transport) is, in turn, proportional to collisionality. A key question is then what happens away from marginality, namely what is the saturation mechanism of ZF in that regime? This raises the interesting physical question of how ZF interact with mne 0, poloidally non-axisymmetric modes [1], both linearly and non linearly. We investigate this issue by exploring the nonlinear excitation of GKH modes by modulational instability in the background of finite amplitude of DW turbulence, as well as the linear inflection-type instability of ZF. In a simple model with cold ions, we show that ZF can grow faster than the linear GKH for γ/ωGKH modes can be comparable to their linear generation. Here, γ and ω are the growth rate and frequency of DW, and p and k are the characteristic wavenumbers of ZF and DW. These findings imply that the linear analysis of GKH may not always be valid and also that there may be no clear distinction between secondary (ZF) and tertiary mode (GKH). The effect of finite ion temperature fluctuations is incorporated in a simple toroidal ion temperature gradient model, within which both zonal flow and temperature are generated by modulational instability. The phase between the two is calculated self-consistently and shown to be positive. Furthermore, the correction to nonlinear generation of GKH modes appears to be small. [1] We refer to these low mne 0 modes as Generalized Kelvin-Helmholtz (GKH) modes, since they will appear as mne 0 distortions of a shear layer.

  8. Catalytic ring opening of cyclic hydrocarbons in diesel fuels

    Energy Technology Data Exchange (ETDEWEB)

    Calemma, V.; Ferrari, M. [Eni S.p.A., San Donato Milanese (Italy). R and M Div.; Rabl, S.; Haas, A.; Santi, D.; Weitkamp, J. [Stuttgart Univ. (Germany). Inst. of Chemical Technology

    2013-11-01

    An approach for high-aromatic streams upgrading, allowing to meet future diesel quality standards, is saturation of the aromatic structures followed by the selective breaking of endocyclic C-C bonds of naphthenic structures so formed to produce alkanes with the same number of carbon atoms as the starting molecule ('selective ring opening, SRO'). Although theoretically, SRO is a promising route for upgrading low-value feeds to high-quality products, in practice, it continues to be a challenge owing to its complex chemistry. Product characteristics, do not only depend on the composition of the feed, but also on the operating conditions and the nature of the catalyst. Very recently, novel catalysts ('HIgh-PErformance Ring Opening Catalysts, HIPEROCs') were developed which allow a very selective ring opening of the model compound decalin to paraffins without degradation of the carbon number. The hydroconversion of dearomatized Light Cycle Oil (DeAr-LCO) over the abovementioned catalysts resulted in a remarkable change of the chemical structure of the feed with a strong decrease of naphthenic structures with two or more condensed rings and a concomitant increase of alkyl-substituted cyclohexanes and open-chain alkanes. The changes occurring in the chemical structures of feedstock during hydroconversion resulted in a remarkable increase of the Cetane Index of the products up to 11 units. In the present contribution, we examine the main factors affecting activity and selectivity of SRO catalysts in the light of the recent literature dealing with the subject and we report on the recent advances in hydroconversion of refinery cuts such as DeAr- LCO over HIPEROCs. (orig.)

  9. Brief Review of Saturation Physics

    CERN Document Server

    Kovchegov, Yuri V

    2014-01-01

    We present a short overview of saturation physics followed by a summary of the recent progress in our understanding of nonlinear small-$x$ evolution. Topics include McLerran-Venugopalan model, Glauber-Mueller approximation, nonlinear BK/JIMWLK evolution equations, along with the running-coupling and NLO corrections to these equations. We conclude with selected topics in saturation phenomenology.

  10. Brine Distribution after Vacuum Saturation

    DEFF Research Database (Denmark)

    Hedegaard, Kathrine; Andersen, Bertel Lohmann

    1999-01-01

    Experiments with the vacuum saturation method for brine in plugs of chalk showed that a homogeneous distribution of brine cannot be ensured at saturations below 20% volume. Instead of a homogeneous volume distribution the brine becomes concentrated close to the surfaces of the plugs...

  11. Aromaticity Competition in Differentially Fused Borepin-Containing Polycyclic Aromatics.

    Science.gov (United States)

    Messersmith, Reid E; Siegler, Maxime A; Tovar, John D

    2016-07-01

    This report describes the synthesis and characterization of a series of borepin-based polycyclic aromatics bearing two different arene fusions. The borepin synthesis features streamlined Ti-mediated alkyne reduction, leading to Z-olefins, followed by direct lithiation and borepin formation. These molecules allow for an assessment of aromatic competition between the fused rings and the central borepin core. Crystallographic, magnetic, and computational studies yielded insights about the aromaticity of novel, differentially fused [b,f]borepins and allowed for comparison to literature compounds. Multiple borepin motifs were also incorporated into polycyclic aromatics with five or six rings in the main backbone, and their properties were also evaluated.

  12. Resonance trapping and saturation of decay widths

    CERN Document Server

    Persson, E; Rotter, I

    1998-01-01

    Resonance trapping appears in open many-particle quantum systems at high level density when the coupling to the continuum of decay channels reaches a critical strength. Here a reorganization of the system takes place and a separation of different time scales appears. We investigate it under the influence of additional weakly coupled channels as well as by taking into account the real part of the coupling term between system and continuum. We observe a saturation of the mean width of the trapped states. Also the decay rates saturate as a function of the coupling strength. The mechanism of the saturation is studied in detail. In any case, the critical region of reorganization is enlarged. When the transmission coefficients for the different channels are different, the width distribution is broadened as compared to a chi_K^2 distribution where K is the number of channels. Resonance trapping takes place before the broad state overlaps regions beyond the extension of the spectrum of the closed system.

  13. Contorted polycyclic aromatics.

    Science.gov (United States)

    Ball, Melissa; Zhong, Yu; Wu, Ying; Schenck, Christine; Ng, Fay; Steigerwald, Michael; Xiao, Shengxiong; Nuckolls, Colin

    2015-02-17

    CONSPECTUS: This Account describes a body of research in the design, synthesis, and assembly of molecular materials made from strained polycyclic aromatic molecules. The strain in the molecular subunits severely distorts the aromatic molecules away from planarity. We coined the term "contorted aromatics" to describe this class of molecules. Using these molecules, we demonstrate that the curved pi-surfaces are useful as subunits to make self-assembled electronic materials. We have created and continue to study two broad classes of these "contorted aromatics": discs and ribbons. The figure that accompanies this conspectus displays the three-dimensional surfaces of a selection of these "contorted aromatics". The disc-shaped contorted molecules have well-defined conformations that create concave pi-surfaces. When these disc-shaped molecules are substituted with hydrocarbon side chains, they self-assemble into columnar superstructures. Depending on the hydrocarbon substitution, they form either liquid crystalline films or macroscopic cables. In both cases, the columnar structures are photoconductive and form p-type, hole- transporting materials in field effect transistor devices. This columnar motif is robust, allowing us to form monolayers of these columns attached to the surface of dielectrics such as silicon oxide. We use ultrathin point contacts made from individual single-walled carbon nanotubes that are separated by a few nanometers to probe the electronic properties of short stacks of a few contorted discs. We find that these materials have high mobility and can sense electron-deficient aromatic molecules. The concave surfaces of these disc-shaped contorted molecules form ideal receptors for the molecular recognition and assembly with spherical molecules such as fullerenes. These interfaces resemble ball-and-socket joints, where the fullerene nests itself in the concave surface of the contorted disc. The tightness of the binding between the two partners can be

  14. Petrochemistry - Aromatics; Petrochimie - Aromatiques

    Energy Technology Data Exchange (ETDEWEB)

    Anon.

    2005-09-01

    The assignment of Unipetrol chemical activities to the Czech group Agrofert by the Polish PKN Orlen is suspended and would be renegotiated. Oman Oil Company (OOC) is joining in the Korean LG International and in its subsidiary company Oman Refinery Company (ORC) for the construction of its new aromatics complex on its site of Sohar (Oman). This plan represents an investment of one milliard of dollars; it will produce 800000 t/year of para-xylene and 210000 t/year of benzene. The unit would be operational at the third trimester 2008. (O.M.)

  15. Fluorinated aromatic diamine

    Science.gov (United States)

    Jones, Robert J. (Inventor); O'Rell, Michael K. (Inventor); Hom, Jim M. (Inventor)

    1980-01-01

    This invention relates to a novel aromatic diamine and more particularly to the use of said diamine for the preparation of thermally stable high-molecular weight polymers including, for example, polyamides, polyamideimides, polyimides, and the like. This diamine is obtained by reacting a stoichometric amount of a disodium salt of 2,2-bis(4-hydroxyphenyl) hexafluoropropane with 4-chloronitrobenzene to obtain an intermediate, 2,2-bis[4-(4-nitrophenoxy)phenyl] hexafluoropropane, which is reduced to the corresponding 2,2-bis[4-(4-aminophenoxy)phenyl] hexafluoropropane.

  16. 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.

  17. Broadband fast semiconductor saturable absorber.

    Science.gov (United States)

    Jacobovitz-Veselka, G R; Kellerm, U; Asom, T

    1992-12-15

    Kerr lens mode-locked (KLM) solid-state lasers are typically not self-starting. We address this problem by introducing a broadband semiconductor saturable absorber that could be used as a tunable, all-solid-state, passive starting mechanism. We extend the wavelength tunability of a semiconductor saturable absorber to more than 100 nm using a band-gap-engineered low-temperature molecular-beam-epitaxy (MBE)-grown bulk AlGaAs semiconductor saturable absorber in which the absorption edge of the saturable absorber has been artificially broadened by continuously reducing the Al concentration during the MBE growth. We demonstrate its tunability and its feasibility as a starting mechanism for KLM with a picosecond resonant passive mode-locked Ti:sapphire laser. The extension to femtosecond KLM lasers has been discussed previously.

  18. "Carbo-aromaticity" and novel carbo-aromatic compounds.

    Science.gov (United States)

    Cocq, Kévin; Lepetit, Christine; Maraval, Valérie; Chauvin, Remi

    2015-09-21

    While the concept of aromaticity is being more and more precisely delineated, the category of "aromatic compounds" is being more and more expanded. This is illustrated by an introductory highlight of the various types of "aromaticity" previously invoked, and by a focus on the recently proposed "aromatic character" of the "two-membered rings" of the acetylene and butatriene molecules. This serves as a general foundation for the definition of "carbo-aromaticity", the relevance of which is surveyed through recent results in the synthetic, physical, and theoretical chemistry of carbo-mers and in particular macrocyclic-polycyclic representatives constituting a natural family of "novel aromatic compounds". With respect to their parent molecules, carbo-mers are constitutionally defined as "carbon-enriched", and can also be functionally regarded as "π-electron-enriched". This is exemplified by recent experimental and theoretical results on functional, aromatic, rigid, σ,π-macrocyclic carbo-benzene archetypes of various substitution patterns, with emphasis on the quadrupolar pattern. For the purpose of comparison, several types of non-aromatic references of carbo-benzenes are then considered, i.e. freely rotating σ,π-acyclic carbo-n-butadienes and flexible σ-cyclic, π-acyclic carbo-cyclohexadienes, and to "pro-aromatic" congeners, i.e. rigid σ,π-macrocyclic carbo-quinoids. It is shown that functional carbo-mers are entering the field of "molecular materials" for properties such as linear or nonlinear optical properties (e.g. dichromism and two-photon absorption) and single molecule conductivity. Since total or partial carbo-mers of aromatic carbon-allotropes of infinite size such as graphene (graphynes and graphdiynes) and graphite ("graphitynes") have long been addressed at the theoretical or conceptual level, recent predictive advances on the electrical, optical and mechanical properties of such carbo-materials are surveyed. Very preliminary experimental results

  19. 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.

  20. 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

  1. Saturation and High Density QCD

    OpenAIRE

    Mueller, A. H.

    2005-01-01

    Recent progress in understanding general properties of high energy scattering near the unitarity limit, where high density gluon components of the wavefunction are dominant, is reviewed. The similarity of the QCD problem and that of reaction-diffusion processes in statistical physics is emphasized. The energy dependence of the saturation momentum and the status of geometric scaling are discussed.

  2. Dissolved oxygen saturation controls PAH biodegradation in freshwater estuary sediments.

    Science.gov (United States)

    Boyd, T J; Montgomery, M T; Steele, J K; Pohlman, J W; Reatherford, S R; Spargo, B J; Smith, D C

    2005-02-01

    Polycyclic aromatic hydrocarbons (PAHs) are common contaminants in terrestrial and aquatic environments and can represent a significant constituent of the carbon pool in coastal sediments. We report here the results of an 18-month seasonal study of PAH biodegradation and heterotrophic bacterial production and their controlling biogeochemical factors from 186 sediment samples taken in a tidally influenced freshwater estuary. For each sampling event, measurements were averaged from 25-45 stations covering approximately 250 km(2). There was a clear relationship between bacterial production and ambient temperature, but none between production and bottom water dissolved oxygen (DO) % saturation or PAH concentrations. In contrast with other studies, we found no effect of temperature on the biodegradation of naphthalene, phenanthrene, or fluoranthene. PAH mineralization correlated with bottom water DO saturation above 70% (r(2) > 0.99). These results suggest that the proportional utilization of PAH carbon to natural organic carbon is as much as three orders of magnitude higher during cooler months, when water temperatures are lower and DO % saturation is higher. Infusion of cooler, well-oxygenated water to the water column overlying contaminated sediments during the summer months may stimulate PAH metabolism preferentially over non-PAH organic matter.

  3. 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.

  4. Polycyclic Aromatic Hydrocarbons

    Science.gov (United States)

    Salama, Farid

    2010-01-01

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

  5. 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.

  6. SATURATED PICRIC ACID PREVENTS AUTOPHAGIA

    Directory of Open Access Journals (Sweden)

    V Rahimi-Movaghar

    2008-08-01

    Full Text Available "nThe dysesthesia and paresthesia that occurs in laboratory rats after spinal cord injury (SCI results in autophagia. This self-destructive behavior interferes with functional assessments in designed studies and jeopardizes the health of the injured rat. In this study, we evaluated role of saturated picric acid in the prevention of autophagia and self-mutilation. All rats were anesthetized with an intraperitoneal injection of a mixture of ketamine (100 mg/kg and xylazine (10 mg/kg for the SCI procedures. In the first 39 rats, no solution applied to the hind limbs, but in the next 26 cases, we smeared the saturated picric acid on the tail, lower extremities, pelvic, and abdomen of the rats immediately after SCI. In the rats without picric acid, 23 rats died following autophagia, but in the 26 rats with picric acid, there was no autophagia (P < 0.001. Picric acid side effects in skin and gastrointestinal signs such as irritation, redness and diarrhea were not seen in any rat. Saturated picric acid is a topical solution that if used appropriately and carefully, might be safe and effectively prevents autophagia and self-mutilation. When the solution is applied to the lower abdomen and limbs, we presume that its bitterness effectively prevents the rat from licking and biting the limb.

  7. Bacterial degradation of monocyclic aromatic amines

    Directory of Open Access Journals (Sweden)

    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.

  8. Electron correlation in C (4N+2) carbon rings aromatic vs. dimerized structures

    CERN Document Server

    Torelli, T; Torelli, Tommaso; Mitas, Lubos

    2000-01-01

    The electronic structure of C_(4N+2) carbon rings exhibits competing many-body effects of Huckel aromaticity, second-order Jahn-Teller and Peierls instability at large sizes. This leads to possible ground state structures with aromatic, bond angle or bond length alternated geometry. Highly accurate quantum Monte Carlo results indicate the existence of a crossover between C_10 and C_14 from bond angle to bond length alternation. The aromatic isomer is always a transition state. The driving mechanism is the second-order Jahn-Teller effect which keeps the gap open at all sizes.

  9. 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”.

  10. Promoter analysis by saturation mutagenesis

    Directory of Open Access Journals (Sweden)

    Baliga Nitin

    2001-01-01

    Full Text Available Gene expression and regulation are mediated by DNA sequences, in most instances, directly upstream to the coding sequences by recruiting transcription factors, regulators, and a RNA polymerase in a spatially defined fashion. Few nucleotides within a promoter make contact with the bound proteins. The minimal set of nucleotides that can recruit a protein factor is called a cis-acting element. This article addresses a powerful mutagenesis strategy that can be employed to define cis-acting elements at a molecular level. Technical details including primer design, saturation mutagenesis, construction of promoter libraries, phenotypic analysis, data analysis, and interpretation are discussed.

  11. Changes of cortisol and immunoglobulins in the saliva of naval divers during decompression of the 330 m saturation dive in the open sea%海上330 m饱和潜水减压期间潜水员唾液皮质醇与免疫球蛋白的变化趋势

    Institute of Scientific and Technical Information of China (English)

    刘晓波; 吴岩印; 孙擎; 唐艳超

    2016-01-01

    Objective To observe the change pattern of cortisol,IgA,IgG and IgMin the saliva of the naval divers during decompression of the 330 m saturation dive in the open sea,and also to explore the practicability of monitoring the stress level of divers under hyperbaric pressure by using the saliva indicators,so as to provide scientific evidence for the screening of stress-related indicators under hyperbaric environment. Methods During decompression of the 330 m saturation dive,saliva samples of the divers were collected at set time.The cortisol level was detected by using radioimmunoassay and IgA,IgG and IgM levels were monitored by using enzyme -linked immunosorbent assay (ELISA ).Results As compared with the baseline data [Cortisol:(117.0 ±35.4)μg/L],all the parameters including cortisol,IgA,IgG and IgM concentrations decreased at day 2 (at the initial decompression phase),and at day 8 (at the medium decompression stage)IgA concentration also decreased(129.5 ±114.8)μg/L].However,salivary cortisol concentration at other time points was higher than the baseline data,and salivary cortisol concentration at day 12 (207.7 ±85.9)μg/L] approached the significant level (t=3.014,P=0.057),and on day 13 [(208.1 ±15.4)μg/L]it reached significant level (t =8.424,P =0.014 ).Nevertheless,the levels of IgA,IgG and IgM failed to reach significant levels.Results indicated that the two salivary indicators were positively correlated.It was shown from the graph that various indicators decreased at the initial decompression stage at the early stage,and their levels remained relatively stable at medium decompression stage,while these levels increased slightly at the late stage of decompression.Conclusions Under hyperbaric environment,salivary cortisol could be used as a stress indicator and could provide scientific evidence for the intervention of stress during saturation diving.%目的:评估军事潜水员海上330 m饱和潜水实潜作业减压过程中唾液中皮质醇、IgA

  12. Aromaticity of group 14 organometallics: experimental aspects.

    Science.gov (United States)

    Lee, Vladimir Ya; Sekiguchi, Akira

    2007-01-01

    The long story of aromatic compounds has extended over almost two centuries, since the discovery by Faraday of "bicarburet of hydrogen", or C(6)H(6), now called benzene. Since then, the chemistry of aromatic compounds has been developed extensively; this is reflected in the synthesis of novel classes of aromatic derivatives including charged species, nonclassical (Möbius, three-dimensional, homo-, metalla-) aromatics, and fullerenes. The theory of aromaticity has also undergone a spectacular evolution since the first definition of aromaticity by Hückel; the classification of aromaticity now requires the consideration of versatile criteria: energetic, structural, magnetic, among others. In this Review, we discuss the current state of affairs in the chemistry of aromatic compounds of the heavier Group 14 elements, the latest experimental achievements, as well as future prospects in the field.

  13. Saturated versus non-saturated two-scales permeability

    Science.gov (United States)

    Lopez, Elena; Ammar, Amine; Abisset-Chavanne, Emmanuelle; Binetruy, Christophe; Chinesta, Francisco

    2016-10-01

    A crucial step in many composites manufacturing processes is the impregnation of fibrous medium with the resin. The fundamental property needed to quantify the flow is the permeability of the fibrous medium. Process models require the permeability as input data to predict flow patterns and pressure fields. Efficient numerical techniques are needed to solve homogenization problems with geometrical data coming from high-resolution images, involving two-scales and linear fluids. Within this frame-work, this work addresses the question of how to compute the macroscopic permeability from a microscopic description consisting of a viscous fluid flow model defined in a two-scale porous medium, considering the saturated and unsaturated cases.

  14. The use of saturation in qualitative research.

    Science.gov (United States)

    Walker, Janiece L

    2012-01-01

    Understanding qualitative research is an important component of cardiovascular nurses' practice and allows them to understand the experiences, stories, and perceptions of patients with cardiovascular conditions. In understanding qualitative research methods, it is essential that the cardiovascular nurse understands the process of saturation within qualitative methods. Saturation is a tool used for ensuring that adequate and quality data are collected to support the study. Saturation is frequently reported in qualitative research and may be the gold standard. However, the use of saturation within methods has varied. Hence, the purpose of this column is to provide insight for the cardiovascular nurse regarding the use of saturation by reviewing the recommendations for which qualitative research methods it is appropriate to use and how to know when saturation is achieved. In understanding saturation, the cardiovascular nurse can be a better consumer of qualitative research.

  15. Using X-ray computed tomography to evaluate the initial saturation resulting from different saturation procedures

    DEFF Research Database (Denmark)

    Christensen, Britt Stenhøj Baun; Wildenschild, D; Jensen, K.H.

    2006-01-01

    saturation. In this study three techniques often applied in the laboratory have been evaluated for a fine sand sample: (1) venting of the sample with carbon dioxide prior to saturation, (2) applying vacuum to the sample in the beginning of the saturation procedure, and finally (3) the use of degassed water...... with pressurized nitrogen between each saturation and allowed to saturate for the same length of time for all the different procedures. Both gravimetric measurements and CT attenuation levels showed that venting the sample with carbon dioxide prior to saturation clearly improved initial saturation whereas the use...

  16. Holographic Pomeron: Saturation and DIS

    CERN Document Server

    Stoffers, Alexander

    2012-01-01

    We briefly review the approach to dipole-dipole scattering in holographic QCD developed in ARXIV:1202.0831. The Pomeron is modeled by exchanging closed strings between the dipoles and yields Regge behavior for the elastic amplitude. We calculate curvature corrections to this amplitude in both a conformal and confining background, identifying the holographic direction with the virtuality of the dipoles. The it wee-dipole density is related to the string tachyon diffusion in both virtuality and the transverse directions. We give an explicit derivation of the dipole saturation momentum both in the conformal and confining metric. Our holographic result for the dipole-dipole cross section and the it wee-dipole density in the conformal limit are shown to be identical in form to the BFKL pomeron result when the non-critical string transverse dimension is $D_\\perp=3$. The total dipole-dipole cross section is compared to DIS data from HERA.

  17. Study on biodegradable aromatic/aliphatic copolyesters

    Energy Technology Data Exchange (ETDEWEB)

    Yiwang Chen; Licheng Tan; Lie Chen; Yan, Yang; Xiaofeng Wang [Nanchang University, Nanchang (China). School of Materials Science and Engineering. Inst. of Polymer Materials]. E-mail: ywchen@ncu.edu.cn

    2008-04-15

    Progress on biodegradable aromatic/aliphatic copolyesters based on aliphatic and aromatic diacids, diols and ester monomers was reviewed. The aromatic/aliphatic copolyesters combined excellent mechanical properties with biodegradability. Physical properties and biodegradability of copolyesters varied with chain length of the aliphatic polyester segment and atacticity of copolyesters. The process ability of copolyesters could be improved significantly after incorporating a stiff chain segment through copolymerization of aliphatic polyesters with an aromatic liquid crystal element. The aromatic/aliphatic copolyesters as a new type of biodegradable materials could replace some general plastics in certain applications, namely biomedical and environmental friendly fields. (author)

  18. Contribution of methyl group to secondary organic aerosol formation from aromatic hydrocarbon photooxidation

    Science.gov (United States)

    Li, Lijie; Qi, Li; Cocker, David R.

    2017-02-01

    The complete atmospheric oxidation pathways leading to secondary organic aerosol remain elusive for aromatic compounds including the role of methyl substitutes on oxidation. This study investigates the contribution of methyl group to Secondary Organic Aerosol (SOA) formation during the photooxidation of aromatic hydrocarbons under low NOx condition by applying methyl carbon labeled aromatic hydrocarbons ((13C2) m-xylene and (13C2) p-xylene). Particle and gas phase oxidation products are analyzed by a series of mass spectrometers (HR-TOF-AMS, PTR-MS and SIFT-MS). The methyl group carbon containing oxidation products partition to the particle-phase at a lower rate than the carbons originating from the aromatic ring as a result of ring opening reactions. Further, the methyl carbon in the original aromatic structure is at least 7 times less likely to be oxidized when forming products that partition to SOA than the aromatic ring carbon. Therefore, oxidation of the methyl group in xylenes exerts little impact on SOA formation in current study. This study provides supporting evidence for a recent finding - a similarity in the SOA formation and composition from aromatic hydrocarbons regardless of the alkyl substitutes.

  19. Power flow control using distributed saturable reactors

    Energy Technology Data Exchange (ETDEWEB)

    Dimitrovski, Aleksandar D.

    2016-02-13

    A magnetic amplifier includes a saturable core having a plurality of legs. Control windings wound around separate legs are spaced apart from each other and connected in series in an anti-symmetric relation. The control windings are configured in such a way that a biasing magnetic flux arising from a control current flowing through one of the plurality of control windings is substantially equal to the biasing magnetic flux flowing into a second of the plurality of control windings. The flow of the control current through each of the plurality of control windings changes the reactance of the saturable core reactor by driving those portions of the saturable core that convey the biasing magnetic flux in the saturable core into saturation. The phasing of the control winding limits a voltage induced in the plurality of control windings caused by a magnetic flux passing around a portion of the saturable core.

  20. Nucleophilic fluorination of aromatic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Satyamurthy, Nagichettiar; Barrio, Jorge R

    2014-03-18

    Iodylbenzene derivatives substituted with electron donating as well as electron withdrawing groups on the aromatic ring are used as precursors in aromatic nucleophilic substitution reactions. The iodyl group (IO.sub.2) is regiospecifically substituted by nucleophilic fluoride to provide the corresponding fluoroaryl derivatives. No-carrier-added [F-18]fluoride ion derived from anhydrous [F-18](F/Kryptofix, [F-18]CsF or a quaternary ammonium fluoride (e.g., Me.sub.4NF, Et.sub.4NF, n-Bu.sub.4NF, (PhCH.sub.2).sub.4NF) exclusively substitutes the iodyl moiety in these derivatives and provides high specific activity F-18 labeled fluoroaryl analogs. Iodyl derivatives of a benzothiazole analog and 6-iodyl-L-dopa derivatives have been synthesized as precursors and have been used in the preparation of no-carrier-added [F-18]fluorobenzothiazole as well as 6-[F-18]fluoro-L-dopa.

  1. 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.

  2. Casimir experiments showing saturation effects

    CERN Document Server

    Sernelius, Bo E

    2009-01-01

    We address several different Casimir experiments where theory and experiment disagree. First out is the classical Casimir force measurement between two metal half spaces; here both in the form of the torsion pendulum experiment by Lamoreaux and in the form of the Casimir pressure measurement between a gold sphere and a gold plate as performed by Decca et al.; theory predicts a large negative thermal correction, absent in the high precision experiments. The third experiment is the measurement of the Casimir force between a metal plate and a laser irradiated semiconductor membrane as performed by Chen et al.; the change in force with laser intensity is larger than predicted by theory. The fourth experiment is the measurement of the Casimir force between an atom and a wall in the form of the measurement by Obrecht et al. of the change in oscillation frequency of a 87 Rb Bose-Einstein condensate trapped to a fused silica wall; the change is smaller than predicted by theory. We show that saturation effects can exp...

  3. 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.

  4. Deuterated polycyclic aromatic hydrocarbons: Revisited

    CERN Document Server

    Doney, Kirstin D; Mori, Tamami; Onaka, Takashi; Tielens, A G G M

    2016-01-01

    The amount of deuterium locked up in polycyclic aromatic hydrocarbons (PAHs) has to date been an uncertain value. We present a near-infrared (NIR) spectroscopic survey of HII regions in the Milky Way, Large Magellanic Cloud (LMC), and Small Magellanic Cloud (SMC) obtained with AKARI, which aims to search for features indicative of deuterated PAHs (PAD or Dn-PAH) to better constrain the D/H ratio of PAHs. Fifty-three HII regions were observed in the NIR (2.5-5 {\\mu}m), using the Infrared Camera (IRC) on board the AKARI satellite. Through comparison of the observed spectra with a theoretical model of deuterated PAH vibrational modes, the aromatic and (a)symmetric aliphatic C-D stretch modes were identified. We see emission features between 4.4-4.8 {\\mu}m, which could be unambiguously attributed to deuterated PAHs in only six of the observed sources, all of which are located in the Milky Way. In all cases, the aromatic C-D stretching feature is weaker than the aliphatic C-D stretching feature, and, in the case o...

  5. VERTICAL VIBRATION ANALYSIS OF AXISYMMETRIC SATURATED SOIL

    Institute of Scientific and Technical Information of China (English)

    CAI Yuan-qiang; XU Chang-jie; ZHENG Zao-feng; WU Da-zhi

    2006-01-01

    Based on Biot's dynamic consolidation equations, by means of Laplace-Hankel transform technology, the integral solutions of stress and displacement in saturated soil with subjacent rock-stratum under axisymmetric arbitrary excitations were derived. Influence of the reflected wave generated by the boundary was revealed. Numerical results indicate that the vibration frequency has some effect on the vertical displacement of saturated soil. The vertical displacement at the surface of saturated soil lags in phase with the load. Furthermore, the dynamic permeability coefficient of saturated soil has significant effect on the vertical displacement at the initial stage of load applied, but when the load becomes stable, the effect is inapparent.

  6. New insights into aromatic pathways of carbachlorins and carbaporphyrins based on calculations of magnetically induced current densities.

    Science.gov (United States)

    Benkyi, Isaac; Fliegl, Heike; Valiev, Rashid R; Sundholm, Dage

    2016-04-28

    Magnetically induced current densities have been calculated and analyzed for a number of synthesized carbachlorins and carbaporphyrins using density functional theory and the gauge including magnetically induced current (GIMIC) method. Aromatic properties have been determined by using accurate numerical integration of the current flow yielding reliable current strengths and pathways that are related to the degree of aromaticity and the aromatic character of the studied molecules. All investigated compounds are found to be aromatic. However, the obtained aromatic pathways differ from those previously deduced from spectroscopic data and magnetic shielding calculations. For all studied compounds, the ring current divides into an outer and an inner branch at each pyrrolic subring, showing that all π-electrons of the pyrrolic rings take part in the delocalization pathway. The calculations do not support the common notion that the main share of the current takes the inner route at the pyrrolic rings without an inner hydrogen and follows an 18π aromatic pathway. The aromatic pathways of the investigated carbaporphyrins and carbachlorins are very similar, since the current strength via the Cβ[double bond, length as m-dash]Cβ' bond of the cyclopentadienyl ring of the carbaporphyrins is almost as weak as the current density passing the corresponding saturated Cβ-Cβ' bond of the carbachlorins.

  7. Noncomparative scaling of aromaticity through electron itinerancy

    Energy Technology Data Exchange (ETDEWEB)

    Paul, Satadal [Department of Chemistry, University of North Bengal, Raja Rammohunpur, Darjeeling 734013, West Bengal (India); Darjeeling Polytechnic, Kurseong, Darjeeling 734203, West Bengal (India); Goswami, Tamal; Misra, Anirban, E-mail: anirbanmisra@yahoo.com [Department of Chemistry, University of North Bengal, Raja Rammohunpur, Darjeeling 734013, West Bengal (India)

    2015-10-15

    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.

  8. Interpreting HSE Contents of Planetary Basalts: The Importance of Sulfide Saturation and Under-Saturation

    Science.gov (United States)

    Righter, K.

    2000-01-01

    Highly siderophile elements provide important constraints on planetary differentiation due to their siderophile behavior. Their interpretation in terms of planetary differentiation models has so far overlooked the importance of sulfide saturation and under-saturation.

  9. Saturated fat, carbohydrate, and cardiovascular disease.

    Science.gov (United States)

    Siri-Tarino, Patty W; Sun, Qi; Hu, Frank B; Krauss, Ronald M

    2010-03-01

    A focus of dietary recommendations for cardiovascular disease (CVD) prevention and treatment has been a reduction in saturated fat intake, primarily as a means of lowering LDL-cholesterol concentrations. However, the evidence that supports a reduction in saturated fat intake must be evaluated in the context of replacement by other macronutrients. Clinical trials that replaced saturated fat with polyunsaturated fat have generally shown a reduction in CVD events, although several studies showed no effects. An independent association of saturated fat intake with CVD risk has not been consistently shown in prospective epidemiologic studies, although some have provided evidence of an increased risk in young individuals and in women. Replacement of saturated fat by polyunsaturated or monounsaturated fat lowers both LDL and HDL cholesterol. However, replacement with a higher carbohydrate intake, particularly refined carbohydrate, can exacerbate the atherogenic dyslipidemia associated with insulin resistance and obesity that includes increased triglycerides, small LDL particles, and reduced HDL cholesterol. In summary, although substitution of dietary polyunsaturated fat for saturated fat has been shown to lower CVD risk, there are few epidemiologic or clinical trial data to support a benefit of replacing saturated fat with carbohydrate. Furthermore, particularly given the differential effects of dietary saturated fats and carbohydrates on concentrations of larger and smaller LDL particles, respectively, dietary efforts to improve the increasing burden of CVD risk associated with atherogenic dyslipidemia should primarily emphasize the limitation of refined carbohydrate intakes and a reduction in excess adiposity.

  10. Seismic determination of saturation in fractured reservoirs

    Science.gov (United States)

    Brown, R.L.; Wiggins, M.L.; Gupta, A.

    2002-01-01

    Detecting the saturation of a fractured reservoir using shear waves is possible when the fractures have a geometry that induces a component of movement perpendicular to the fractures. When such geometry is present, vertically traveling shear waves can be used to examine the saturation of the fractured reservoir. Tilted, corrugated, and saw-tooth fracture models are potential examples.

  11. Saturation and geometrical scaling in small systems

    CERN Document Server

    Praszalowicz, Michal

    2016-01-01

    Saturation and geometrical scaling (GS) of gluon distributions are a consequence of the non-linear evolution equations of QCD. We argue that in pp GS holds for the inelastic cross-section rather than for the multiplicity distributions. We also discuss possible fluctuations of the proton saturation scale in pA collisions at the LHC.

  12. Semiconductor saturable absorbers for ultrafast terahertz signals

    DEFF Research Database (Denmark)

    Hoffmann, Matthias C.; Turchinovich, Dmitry

    2010-01-01

    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...

  13. 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....

  14. 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)

  15. Saturation process of nonlinear standing waves

    Institute of Scientific and Technical Information of China (English)

    马大猷; 刘克

    1996-01-01

    The sound pressure of the nonlinear standing waves is distorted as expected, but also tends to saturate as being found in standing-wave tube experiments with increasing sinusoidal excitation. Saturation conditions were not actually reached, owing to limited excitation power, but the evidence of tendency to saturation is without question. It is the purpose of this investigation to find the law of saturation from the existing experimental data. The results of curve fitting indicate that negative feedback limits the growth of sound pressure with increasing excitation, the growth of the fundamental and the second harmonic by the negative feedback of their sound pressures, and the growth of the third and higher harmonics, however, by their energies (sound pressures squared). The growth functions of all the harmonics are derived, which are confirmed by the experiments. The saturation pressures and their properties are found.

  16. Saturated pattern-illuminated Fourier ptychography microscopy

    Science.gov (United States)

    Fang, Yue; Chen, Youhua; Kuang, Cuifang; Xiu, Peng; Liu, Qiulan; Ge, Baoliang; Liu, Xu

    2017-01-01

    We report a series of simulation studies which extends pattern-illuminated Fourier ptychography microscopy by integrating with the nonlinearity arising from saturation of the fluorophore excited state for super-resolution fluorescence imaging. This extended technique, termed Saturated pattern-illuminated Fourier ptychography (SpiFP) microscopy, could achieve a resolution four times that of wide field when the illuminating light intensity approaches the saturation threshold in simulations. Increasing light intensity leads to further resolution enhancement. In order to demonstrate the performance of SpiFP, we make a comparison between SpiFP and saturated structure illumination microscopy in simulations, and prove that the SpiFP exhibits superior robustness to noise, aberration correcting ability, and pattern’s flexibility. Introducing the saturation of the fluorescent emission brings in notable improvements in imaging performance, implying its potential in nanoscale-sized biological observations by wide-field microscopy.

  17. Transport of Polycyclic Aromatic Hydrocarbons in Unsaturated Porous Media

    Science.gov (United States)

    Chahal, Maninder; Flury, Markus

    2016-04-01

    Polycyclic aromatic hydrocarbons (PAHs) are complex organic molecules containing 2 or more fused benzene rings. Being hydrophobic and non-polar, PAHs tend to partition to the organic matter in the soil from bulk aqueous phase. Though transport of these contaminants has been well studied in saturated environment, interactive mechanisms of these fluorescent compounds in unsaturated (identified by presence of air-water interface) porous media is still not well understood. We studied is the transport of fluoranthene in unsaturated porous media as facilitated by moving air-water interfaces. Confocal microscopy was used to visualize the interactions of fluoranthene particles in a glass channel packed with quartz glass beads. The packed glass channel was used to mimic a porous media and effects of an advancing and receding capillary fringe on the detachment of fluoranthene.

  18. Compactness Aromaticity of Atoms in Molecules

    Directory of Open Access Journals (Sweden)

    Mihai V. Putz

    2010-03-01

    Full Text Available A new aromaticity definition is advanced as the compactness formulation through the ratio between atoms-in-molecule and orbital molecular facets of the same chemical reactivity property around the pre- and post-bonding stabilization limit, respectively. Geometrical reactivity index of polarizability was assumed as providing the benchmark aromaticity scale, since due to its observable character; with this occasion new Hydrogenic polarizability quantum formula that recovers the exact value of 4.5 a03 for Hydrogen is provided, where a0 is the Bohr radius; a polarizability based–aromaticity scale enables the introduction of five referential aromatic rules (Aroma 1 to 5 Rules. With the help of these aromatic rules, the aromaticity scales based on energetic reactivity indices of electronegativity and chemical hardness were computed and analyzed within the major semi-empirical and ab initio quantum chemical methods. Results show that chemical hardness based-aromaticity is in better agreement with polarizability based-aromaticity than the electronegativity-based aromaticity scale, while the most favorable computational environment appears to be the quantum semi-empirical for the first and quantum ab initio for the last of them, respectively.

  19. Magnetic molecules derived from hydrogenation of Polycyclic Aromatic Hydrocarbons

    CERN Document Server

    Vergés, J A; Louis, E; Pastor-Abia, L; SanFabian, E

    2008-01-01

    Present routes to produce magnetic organic-based materials adopt a common strategy: the use of magnetic species (atoms, polyradicals, etc.) as building blocks. We explore an alternative approach which consists of selective hydrogenation of Polycyclic Aromatic Hydrocarbons. Self-Consistent-Field (SCF) (Hartree-Fock and DFT) and multi-configurational (CISD and MCSCF) calculations on coronene and corannulene, both hexa-hydrogenated, show that the formation of stable high spin species is possible. The spin of the ground states is discussed in terms of the Hund rule and Lieb's theorem for bipartite lattices (alternant hydrocarbons in this case). This proposal opens a new door to magnetism in the organic world.

  20. 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.

  1. Evaluation of the Performance of Grouting Materials for Saturated Riprap

    Directory of Open Access Journals (Sweden)

    Daehyeon Kim

    2013-12-01

    Full Text Available In this study, four types of grout were developed to evaluate the effect of grouting of saturated riprap layers on ground water flow. The developed types of grout are divided into a quick-setting type and a general-type, and also into high and low viscosities. A number of grout tests were performed in a model acrylic chamber, 0.4 m in diameter and 2.0 m in length, for visual observation of injection. To reproduce the field flow condition of the saturated riprap layers (approach flow, the grout tests were carried out at 0 cm/s and 100 cm/s for the flow speed and 10 L/min for the grout injection speed after installing a flow injection opening on the lower part of the chamber. Based on the results of the grout tests, the injection of each grout in the saturated riprap layers was examined to find out the most effective grout.

  2. Open hardware for open science

    CERN Multimedia

    CERN Bulletin

    2011-01-01

    Inspired by the open source software movement, the Open Hardware Repository was created to enable hardware developers to share the results of their R&D activities. The recently published CERN Open Hardware Licence offers the legal framework to support this knowledge and technology exchange.   Two years ago, a group of electronics designers led by Javier Serrano, a CERN engineer, working in experimental physics laboratories created the Open Hardware Repository (OHR). This project was initiated in order to facilitate the exchange of hardware designs across the community in line with the ideals of “open science”. The main objectives include avoiding duplication of effort by sharing results across different teams that might be working on the same need. “For hardware developers, the advantages of open hardware are numerous. For example, it is a great learning tool for technologies some developers would not otherwise master, and it avoids unnecessary work if someone ha...

  3. Calculation Method to Determine the Group Composition of Vacuum Distillate with High Content of Saturated Hydrocarbons

    Directory of Open Access Journals (Sweden)

    Nazarova Galina

    2016-01-01

    Full Text Available Calculation method to determine the group composition of the heavy fraction of vacuum distillate with high content of saturated hydrocarbons, obtained by vacuum distillation of the residue from the West Siberian oil with subsequent hydrotreating, are given in this research. The method is built on the basis of calculation the physico-chemical characteristics and the group composition of vacuum distillate according to the fractional composition and density considering with high content of saturated hydrocarbons in the fraction. Calculation method allows to determine the content of paraffinic, naphthenic, aromatic hydrocarbons and the resins in vacuum distillate with high accuracy and can be used in refineries for rapid determination of the group composition of vacuum distillate.

  4. Open Access

    Science.gov (United States)

    Suber, Peter

    2012-01-01

    The Internet lets us share perfect copies of our work with a worldwide audience at virtually no cost. We take advantage of this revolutionary opportunity when we make our work "open access": digital, online, free of charge, and free of most copyright and licensing restrictions. Open access is made possible by the Internet and copyright-holder…

  5. 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.

  6. Saturation Physics on the Energy Frontier

    CERN Document Server

    Zaslavsky, David

    2015-01-01

    Saturation physics is expected to be relevant at sufficiently small parton momentum fractions $x$ in high-energy proton- (or deuteron-)ion collisions at RHIC and the LHC. Accordingly, these collisions provide the best available testing ground for the saturation model. However, producing precise numerical predictions from the model is a complicated task; the state of the art in this area involves next-to-leading order QCD calculations, which are difficult to do numerically. Here I'll review recent progress in extracting numerical predictions from saturation models and matching them to experimental results.

  7. SATURATION BIOPSY OF THE PROSTATE (REVIEW

    Directory of Open Access Journals (Sweden)

    A. V. Sadchenko

    2014-07-01

    Full Text Available Prostate biopsy is the principal method of diagnois of prostate cancer, allowing to start the adequate treatment. The tactics of the patients, which have negative initial biopsy, is a subject of discussion. Saturation biopsy is a “gold standard„ of diagnostics of PCA with repeat biopsy. Saturation biopsy of the prostate is not a primary procedure, usually apply in patients with negative biopsies in anamnesis, patients with multifocal PIN and ASAP. Saturation biopsy allows to more precisely predict the volume and degree of malignancy of PCA, that can be used for planning tactics of active surveillance and focal therapy.

  8. Hückel's Rule of Aromaticity Categorizes Aromatic Closo Boron Hydride Clusters

    OpenAIRE

    Poater i Teixidor, Jordi; Solà i Puig, Miquel; Viñas, Clara; Teixidor, Francesc

    2016-01-01

    A direct connection is established between tridimensional aromatic closo boron hydride clusters and planar aromatic [n]annulenes for medium and large size boron clusters. In particular, our results prove the existence of a link between the two-dimensional Hückel rule followed by aromatic [n]-annulenes and Wade-Mingos' rule of three-dimensional aromaticity applied to the aromatic [BnHn]2- closo boron hydride clusters. Our results show that closo boron hydride clusters can be categorized into d...

  9. Beyond organic chemistry: aromaticity in atomic clusters.

    Science.gov (United States)

    Boldyrev, Alexander I; Wang, Lai-Sheng

    2016-04-28

    We describe joint experimental and theoretical studies carried out collaboratively in the authors' labs for understanding the structures and chemical bonding of novel atomic clusters, which exhibit aromaticity. The concept of aromaticity was first discovered to be useful in understanding the square-planar unit of Al4 in a series of MAl4(-) bimetallic clusters that led to discoveries of aromaticity in many metal cluster systems, including transition metals and similar cluster motifs in solid compounds. The concept of aromaticity has been found to be particularly powerful in understanding the stability and bonding in planar boron clusters, many of which have been shown to be analogous to polycyclic aromatic hydrocarbons in their π bonding. Stimulated by the multiple aromaticity in planar boron clusters, a design principle has been proposed for stable metal-cerntered aromatic molecular wheels of the general formula, M@Bn(k-). A series of such borometallic aromatic wheel complexes have been produced in supersonic cluster beams and characterized experimentally and theoretically, including Ta@B10(-) and Nb@B10(-), which exhibit the highest coordination number in two dimensions.

  10. Heterogeneous photocatalytic reactions of sulfur aromatic compounds.

    Science.gov (United States)

    Samokhvalov, Alexander

    2011-11-18

    Sulfur aromatic compounds, such as mono-, di-, tri-, and tetraalkyl-substituted thiophene, benzothiophenes, dibenzothiophenes, are the molecular components of many fossils (petroleum, oil shale, tar sands, bitumen). Structural units of natural, cross-linked heteroaromatic polymers present in brown coals, turf, and soil are similar to those of sulfur aromatic compounds. Many sulfur aromatic compounds are found in the streams of petroleum refining and upgrading (naphthas, gas oils) and in the consumer products (gasoline, diesel, jet fuels, heating fuels). Besides fossils, the structural fragments of sulfur aromatic compounds are present in molecules of certain organic semiconductors, pesticides, small molecule drugs, and in certain biomolecules present in human body (pheomelanin pigments). Photocatalysis is the frontier area of physical chemistry that studies chemical reactions initiated by absorption of photons by photocatalysts, that is, upon electronic rather than thermal activation, under "green" ambient conditions. This review provides systematization and critical review of the fundamental chemical and physicochemical information on heterogeneous photocatalysis of sulfur aromatic compounds accumulated in the last 20-30 years. Specifically, the following topics are covered: physicochemical properties of sulfur aromatic compounds, major classes of heterogeneous photocatalysts, mechanisms and reactive intermediates of photocatalytic reactions of sulfur aromatic compounds, and the selectivity of these reactions. Quantum chemical calculations of properties and structures of sulfur aromatic compounds, their reactive intermediates, and the structure of adsorption complexes formed on the surface of the photocatalysts are also discussed.

  11. Combinatorics of saturated secondary structures of RNA.

    Science.gov (United States)

    Clote, P

    2006-11-01

    Following Zuker (1986), a saturated secondary structure for a given RNA sequence is a secondary structure such that no base pair can be added without violating the definition of secondary structure, e.g., without introducing a pseudoknot. In the Nussinov-Jacobson energy model (Nussinov and Jacobson, 1980), where the energy of a secondary structure is -1 times the number of base pairs, saturated secondary structures are local minima in the energy landscape, hence form kinetic traps during the folding process. Here we present recurrence relations and closed form asymptotic limits for combinatorial problems related to the number of saturated secondary structures. In addition, Python source code to compute the number of saturated secondary structures having k base pairs can be found at the web servers link of bioinformatics.bc.edu/clotelab/.

  12. Saturated thickness, High Plains aquifer, 2009

    Data.gov (United States)

    U.S. Geological Survey, Department of the Interior — This raster data set represents the saturated thickness of the High Plains aquifer of the United States, 2009, in feet. The High Plains aquifer underlies...

  13. 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....

  14. 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....

  15. Open IS

    DEFF Research Database (Denmark)

    Germonprez, Matt; Crowston, Kevin; Avital, Michel

    2013-01-01

    The collective intelligence and collective action of “open” communities have produced a variety of complex knowledge goods and radical social change. The Information Systems (IS) community has invested significant effort into researching open communities and the ecosystems in which they operate...... therefore seeks to stimulate a thoughtful and dynamic discussion around the proposition that becoming a more open community will enhance the IS discipline’s scholarly inquiry and global impact....

  16. 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

  17. Electrochemical regeneration of phenol-saturated activated carbon - proposal of a reactor.

    Science.gov (United States)

    Zanella, Odivan; Bilibio, Denise; Priamo, Wagner Luiz; Tessaro, Isabel Cristina; Féris, Liliana Amaral

    2017-03-01

    An electrochemical process was used to investigate the activated carbon regeneration efficiency (RE) saturated with aromatics. For this purpose, an electrochemical reactor was developed and the operational conditions of this equipment were investigated, which is applied in activated carbon regeneration process. The influence of regeneration parameters such as processing time, the current used, the polarity and the processing fluid (electrolyte) were studied. The performance of electrochemical regeneration was evaluated by adsorption tests, using phenol as adsorbate. The increase in current applied and the process time was found to enhance the RE. Another aspect that indicated a better reactor performance was the type of electrolyte used, showing best results for NaCl. The polarity showed the highest influence on the process, when the cathodic regeneration was more efficient. The electrochemical regeneration process developed in this study presented regeneration capacities greater than 100% when the best process conditions were used, showing that this form of regeneration for activated carbon saturated with aromatics is very promising.

  18. PROGRESS IN CATALYST AND PROCESS DEVELOPMENT FOR LOW SULFUR AND LOW AROMATICS DIESEL PRODUCTION%低硫低芳烃柴油生产技术开发进展

    Institute of Scientific and Technical Information of China (English)

    周勇; 韩崇仁

    2003-01-01

    The article includes three parts: ①The development and performance of FH-DS catalyst for deep and ultra-deep distillate HDS; ②The single stage HDS/HDA hydrotreating process for the production of low sulfur and low aromatics diesels from straight run and coker AGO by using highly active base metal catalyst at moderate pressure; ③A two-stage aromatics saturation system utilizing noble metal catalyst in the second stage developed for production of low sulfur and low aromatics diesel from LCO. FDA catalyst developed by FRIPP has high activity for aromatics saturation together with high tolerance for sulfur and nitrogen in the feed. The process is effective in reducing density and increasing cetane number.

  19. 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.

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

    Science.gov (United States)

    Tarnow, Patrick; Hutzler, Christoph; Grabiger, Stefan; Schön, Karsten; Tralau, Tewes; Luch, Andreas

    2016-01-01

    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.

  1. 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

  2. Open access

    CERN Document Server

    Suber, Peter

    2012-01-01

    The Internet lets us share perfect copies of our work with a worldwide audience at virtually no cost. We take advantage of this revolutionary opportunity when we make our work "open access": digital, online, free of charge, and free of most copyright and licensing restrictions. Open access is made possible by the Internet and copyright-holder consent, and many authors, musicians, filmmakers, and other creators who depend on royalties are understandably unwilling to give their consent. But for 350 years, scholars have written peer-reviewed journal articles for impact, not for money, and are free to consent to open access without losing revenue. In this concise introduction, Peter Suber tells us what open access is and isn't, how it benefits authors and readers of research, how we pay for it, how it avoids copyright problems, how it has moved from the periphery to the mainstream, and what its future may hold. Distilling a decade of Suber's influential writing and thinking about open access, this is the indispe...

  3. 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

  4. Conservation of medicinal and aromatic plants

    Directory of Open Access Journals (Sweden)

    Šveistytė, Laima

    2016-07-01

    Full Text Available The conservation of medicinal and aromatic plants includes ex situ and in situ methods. The genetic recourses of medicinal and aromatic plants are stored, studied and constantly maintained in the field collections of the Institute of Botany of Nature Research Centre, Kaunas Botanical Garden of Vytautas Magnus University and Aleksandras Stulginskis University of Agriculture. Presently seeds of 214 accessions representing 38 species of medicinal and aromatic plants are stored in a long-term storage in the Plant Gene Bank. The data about national genetic resources are collected and stored in the Central Database of the Plant Gene Bank.

  5. Saturable inductor and transformer structures for magnetic pulse compression

    Science.gov (United States)

    Birx, Daniel L.; Reginato, Louis L.

    1990-01-01

    Saturable inductor and transformer for magnetic compression of an electronic pulse, using a continuous electrical conductor looped several times around a tightly packed core of saturable inductor material.

  6. Open Education and the Open Science Economy

    Science.gov (United States)

    Peters, Michael A.

    2009-01-01

    Openness as a complex code word for a variety of digital trends and movements has emerged as an alternative mode of "social production" based on the growing and overlapping complexities of open source, open access, open archiving, open publishing, and open science. This paper argues that the openness movement with its reinforcing structure of…

  7. Soil Structure and Saturated Hydraulic Conductivity

    Science.gov (United States)

    Houskova, B.; Nagy, V.

    The role of soil structure on saturated hydraulic conductivity changes is studied in plough layers of texturally different soils. Three localities in western part of Slovakia in Zitny ostrov (Corn Island) were under investigation: locality Kalinkovo with light Calcaric Fluvisol (FAO 1970), Macov with medium heavy Calcari-mollic Fluvisol and Jurova with heavy Calcari-mollic Fluvisol. Soil structure was determined in dry as well as wet state and in size of macro and micro aggregates. Saturated hydraulic conductivity was measured by the help of double ring method. During the period of ring filling the soil surface was protected against aggregates damage by falling water drops. Spatial and temporal variability of studied parameters was evaluated. Cultivated crops were ensilage maize at medium heavy and heavy soil and colza at light soil. Textural composition of soil and actual water content at the beginning of measurement are one of major factor affecting aggregate stability and consequently also saturated hydraulic conductivity.

  8. The Danish tax on saturated fat

    DEFF Research Database (Denmark)

    Vallgårda, Signild; Holm, Lotte; Jensen, Jørgen Dejgård

    2015-01-01

    BACKGROUND/OBJECTIVES: Health promoters have repeatedly proposed using economic policy tools, taxes and subsidies, as a means of changing consumer behaviour. As the first country in the world, Denmark introduced a tax on saturated fat in 2011. It was repealed in 2012. In this paper, we present...... on saturated fat had been suggested by two expert committees and was introduced with a majority in parliament, as a part of a larger economic reform package. Many actors, including representatives from the food industry and nutrition researchers, opposed the tax both before and after its introduction, claiming......, research was published showing that consumption of saturated fat had declined in Denmark. CONCLUSIONS: The analysis indicates that the Danish tax on fat was introduced mainly to increase public revenue. As the tax had no strong proponents and many influential adversaries, it was repealed. New research...

  9. Dilatant hardening of fluid-saturated sandstone

    Science.gov (United States)

    Makhnenko, Roman Y.; Labuz, Joseph F.

    2015-02-01

    The presence of pore fluid in rock affects both the elastic and inelastic deformation processes, yet laboratory testing is typically performed on dry material even though in situ the rock is often saturated. Techniques were developed for testing fluid-saturated porous rock under the limiting conditions of drained, undrained, and unjacketed response. Confined compression experiments, both conventional triaxial and plane strain, were performed on water-saturated Berea sandstone to investigate poroelastic and inelastic behavior. Measured drained response was used to calibrate an elasto-plastic constitutive model that predicts undrained inelastic deformation. The experimental data show good agreement with the model: dilatant hardening in undrained triaxial and plane strain compression tests under constant mean stress was predicted and observed.

  10. The optical spectrum of a large isolated polycyclic aromatic hydrocarbon: hexa-peri-hexabenzocoronene, C42H18

    CERN Document Server

    Kokkin, Damian L; Nakajima, Masakazu; Nauta, Klaas; Varberg, Thomas D; Metha, Gregory F; Lucas, Nigel T; Schmidt, Timothy W

    2008-01-01

    The first optical spectrum of an isolated polycyclic aromatic hydrocarbon large enough to survive the photophysical conditions of the interstellar medium is reported. Vibronic bands of the first electronic transition of the all benzenoid polycyclic aromatic hydrocarbon hexa-peri-hexabenzocoronene were observed in the 4080-4530 Angstrom range by resonant 2-color 2-photon ionization spectroscopy. The strongest feature at 4261 Angstrom is estimated to have an oscillator strength of f=1.4x10^-3, placing an upper limit on the interstellar abundance of this polycyclic aromatic hydrocarbon at 4x10^12 cm^-2, accounting for a maximum of ~0.02% of interstellar carbon. This study opens up the possibility to rigorously test neutral polycyclic aromatic hydrocarbons as carriers of the diffuse interstellar bands in the near future.

  11. 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.

  12. 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 t

  13. The Open

    Directory of Open Access Journals (Sweden)

    Saitya Brata Das

    2009-12-01

    Full Text Available In the Open darkness and light, remembrance and oblivion, coming into existence and disappearing in death play their originary co-belonging, or co-figuration. Existence belongs to this opening and is exposed to its coming to presence: it is on the basis of this originary opening, this originary historical which is revealed to this mortal being called ‘man,’ on the basis of this revelation, man founds something like politics and history. There thus comes into existence out of this freedom, out of this “play space”2, this field called ‘polis’3 where there takes place war and festival, where historical revolutions tear apart history, brings ruptures and discontinuities in the very mode of his existence, where man seeks the foundation of his own foundation (which is his metaphysical task , where occurs the dialectics of negativity between man and man, where man puts at stake his own death, his own dissolution, and by the power of his own dissolution stands in relation to the total world that he seeks to dominate. This means that man’s attempts to metaphysically found his own political and historical existence must presuppose a far more originary non-foundation, the differentiating revealing of the open, the ungrounded spacing play, or playing space of natality and mortality.

  14. Open innovation

    DEFF Research Database (Denmark)

    West, Joel; Bogers, Marcel

    2017-01-01

    by small, new, and not-for-profit organizations, as well as the linkage of individual actions and motivations to open innovation. Other opportunities include better measuring the costs, benefits, antecedents, mediators and moderators of the effects of OI on performance, and understanding why and how OI...

  15. Formation mechanism of cracks in saturated sand

    Institute of Scientific and Technical Information of China (English)

    Xiaobing Lu; Zhemin Zheng; Yongren Wu

    2006-01-01

    The formation mechanism of "water film" (or crack) in saturated sand is analyzed theoretically and numerically.The theoretical analysis shows that there will be no stable "water film" in the saturated sand if the strength of the skeleton is zero and no positions are choked.It is shown by numerical simulation that stable water films initiate and grow if the choking state keeps unchanged once the fluid velocities decrease to zero in the liquefied sand column.The developments of "water film" based on the model presented in this paper are compared with experimental results.

  16. Site-Scale Saturated Zone Flow Model

    Energy Technology Data Exchange (ETDEWEB)

    G. Zyvoloski

    2003-12-17

    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

  17. 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...

  18. Comments on Coulomb pairing in aromatic hydrocarbons

    CERN Document Server

    Huber, D L

    2013-01-01

    Recently reported anomalies in the double-photonionization spectra of aromatic molecules such as benzene, naphthalene, anthracene and coronene are attributed to Coulomb-pair resonances of pi electrons.

  19. Silicone elastomers with aromatic voltage stabilizers

    DEFF Research Database (Denmark)

    A Razak, Aliff Hisyam; Skov, Anne Ladegaard

    modifications. In order to increase the electrical breakdown strength of polymers for e.g. the cable industry, additives like aromatic voltage stabilizers are used. Earlier works on using voltage stabilizers in polymers have mainly focused on polyethylene with the purpose of reducing power loss for high voltage...... insulation cables.3–5 As an alternative to utilise additives as voltage stabilizers, grafting aromatic compounds to silicone backbones may overcome the common problem of insolubility of the aromatic voltage stabilizer in the silicone elastomers due to phase separation. Preventing phase separation during...... via hydrosilylation by a vinyl-functional crosslinker. The mechanism 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...

  20. Graphite Oxide and Aromatic Amines : Size Matters

    NARCIS (Netherlands)

    Spyrou, Konstantinos; Calvaresi, Matteo; Diamanti, Evmorfi A. K.; Tsoufis, Theodoros; Gournis, Dimitrios; Rudolf, Petra; Zerbetto, Francesco

    2015-01-01

    Experimental and theoretical studies are performed in order to illuminate, for first time, the intercalation mechanism of polycyclic aromatic molecules into graphite oxide. Two representative molecules of this family, aniline and naphthalene amine are investigated. After intercalation, aniline molec

  1. Infrared Spectra of Polycyclic Aromatic Hydrocarbons (PAHs)

    Science.gov (United States)

    Bauschlicher, Charles W., Jr.; Bakes, E. L. O.

    2000-01-01

    We have computed the synthetic infrared spectra of some polycyclic aromatic hydrocarbons containing up to 54 carbon atoms. The species studied include ovalene, circumcoronene, dicoronylene, and hexabenzocoronene. We report spectra for anions, neutrals, cations, and multiply charged cations.

  2. The Industrial Reduction of Aromatic Nitro Compounds.

    Science.gov (United States)

    Gilbert, G.

    1980-01-01

    Describes methods for enriching an A-level chemistry course with a series of chemical company visits. The rationale is discussed for an emphasis of the visits on the industrial reduction of aromatic nitro compounds. (CS)

  3. Activity relationships for aromatic crown ethers

    CERN Document Server

    Wilson, M J

    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...

  4. Design of aromatic-containing cell-penetrating peptide mimics with structurally modified π electronics.

    Science.gov (United States)

    deRonde, Brittany M; Birke, Alexander; Tew, Gregory N

    2015-02-09

    Cell-penetrating peptides (CPPs) and their synthetic mimics (CPPMs) represent a class of molecules that facilitate the intracellular delivery of various cargo. Previous studies indicated that the presence of aromatic functionalities improved CPPM activity. Given that aromatic functionalities play prominent roles in membrane biology and participate in various π interactions, we explored whether these interactions could be optimized for improved CPPM activity. CPPMs were synthesized by ring-opening metathesis polymerization by using monomers that contained aromatic rings substituted with electron-donating and electron-withdrawing groups and covered an electrostatic potential range from -29.69 to +15.57 kcal mol(-1) . These groups altered the quadrupole moments of the aromatic systems and were used to test if such structural modifications changed CPPM activity. CPPMs were added to dye-loaded vesicles and the release of carboxyfluorescein was monitored as a function of polymer concentration. Changes in the effective polymer concentration to release 50% of the dye (effective concentration, EC50 ) were monitored. Results from this assay showed that the strength of the electron-donating and electron-withdrawing groups incorporated in the CPPMs did not alter polymer EC50 values or activity. This suggests that other design parameters may have a stronger impact on CPPM activity. In addition, these results indicate that a wide range of aromatic groups can be incorporated without negatively impacting polymer activity.

  5. Thoughts on Optimization of Aromatic Feedstock

    Institute of Scientific and Technical Information of China (English)

    Cao Jian

    2002-01-01

    This article refers to four cases of process unit combinations with different throughputs of aromatics unit for production of 450 kt/a paraxylene at a certain petrochemical complex in order to against a representative case (provided with an 800-kt/a CCR unit and a 600-kt/a disproportionation unit) and the feasibility and advantage of using prolysis gasoline as aromatic feedstock is studied.

  6. Aromatic amines sources, environmental impact and remediation

    OpenAIRE

    Pereira, Luciana; Mondal, P. K.; Alves, M. M.

    2015-01-01

    Aromatic amines are widely used industrial chemicals as their major sources in the environment include several chemical industry sectors such as oil refining, synthetic polymers, dyes, adhesives, rubbers, perfume, pharmaceuticals, pesticides and explosives. They result also from diesel exhaust, combustion of wood chips and rubber and tobacco smoke. Some types of aromatic amines are generated during cooking, special grilled meat and fish, as well. The intensive use and production of these comp...

  7. Open Source, Open Access, Open Review, Open Data. Initiativen zu mehr Offenheit in der digitalen Welt

    OpenAIRE

    Herb, Ulrich

    2011-01-01

    The article discusses the principles of openess, open access and open availability of information based on the examples of open access to scientific information, open government data, open geographical data and open source software.

  8. Radiation Chemistry of Organic Liquids: Saturated Hydrocarbons

    CERN Document Server

    Shkrob, Ilya A; Trifunac, A D

    2004-01-01

    In this review (124 refs), several problems in radiolysis of saturated hydrocarbons are examined. Special attention is paid to the chemistry of radical cations, high-mobility holes, excited state and spur dynamics, magnetic field and spin effects, and optically detected magnetic resonance spectroscopy.

  9. Nasal pulse oximetry overestimates oxygen saturation

    DEFF Research Database (Denmark)

    Rosenberg, J; Pedersen, M H

    1990-01-01

    Ten surgical patients were monitored with nasal and finger pulse oximetry (Nellcor N-200) for five study periods with alternating mouth and nasal breathing and switching of cables and sensors. Nasal pulse oximetry was found to overestimate arterial oxygen saturation by 4.7 (SD 1.4%) (bias...

  10. Two-beam interaction in saturable media

    DEFF Research Database (Denmark)

    Schjødt-Eriksen, Jens; Schmidt, Michel R.; Juul Rasmussen, Jens

    1998-01-01

    The dynamics of two coupled soliton solutions of the nonlinear Schrodinger equation with a saturable nonlinearity is investigated It is shown by means of a variational method and by direct numerical calculations that two well-separated solitons can orbit around each other, if their initial velocity...

  11. Modeling of Current Transformers Under Saturation Conditions

    Directory of Open Access Journals (Sweden)

    Martin Prochazka

    2006-01-01

    Full Text Available During a short circuit the input signal of the relay can be distort by the magnetic core saturation of the current transformer. It is useful to verify the behavior of CT by a mathematical model. The paper describes one phase and three phase models and it presents some methods of how to analyze and classify a deformed secondary current

  12. Saturation at low x and nonlinear evolution

    OpenAIRE

    Stasto, A. M.

    2002-01-01

    In this talk the results of the analytical and numerical analysis of the nonlinear Balitsky-Kovchegov equation are presented. The characteristic BFKL diffusion into infrared regime is suppressed by the generation of the saturation scale. We identify the scaling and linear regimes for the solution. We also study the impact of subleading corrections onto the nonlinear evolution.

  13. OpenAPC. Open-Access-Publikationskosten als Open Data

    OpenAIRE

    Tullney, Marco

    2015-01-01

    Präsentationsfolien zum Vortrag „OpenAPC. Open-Access-Publikationskosten als Open Data“ in der Session „Ausgestaltung eines wissenschaftsadäquaten APC-Marktes: Grundsätze, Finanzierungsansätze und Management“ der Open-Access-Tage 2015 in Zürich (https://www.open-access.net/community/open-access-tage/open-access-tage-2015-zuerich/programm/#c1974)

  14. A 113 fs fiber laser operating at 1.56 mum using a cascadable film-type saturable absorber with P3HT-incorporated single-wall carbon nanotubes coated on polyamide.

    Science.gov (United States)

    Shohda, Fumio; Nakazawa, Masataka; Mata, Junji; Tsukamoto, Jun

    2010-04-26

    We successfully fabricated a cascadable film-type single-wall carbon nanotube (SWNT) saturable absorber coated on aromatic polyamide film, in which the saturable absorption effect can be controlled with the number of films. A conductive polymer P3HT (poly-3-hexylthiophene) was adopted to obtain a uniform SWNT solution. We applied saturable absorber films to a passively mode-locked fiber laser and successfully generated a 113 fs, 42 MHz pulse by inserting two film layers between fiber connectors in the cavity.

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

    Science.gov (United States)

    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 obstacles in the biofuel/biochemical production process and therefore microbial degradation of lignin is receiving a great deal of attention. Fungi are the main degraders of plant biomass, and in particular the basidiomycete white rot fungi are of major importance in converting plant aromatics due to their ability to degrade lignin. However, the aromatic monomers that are released from lignin and other aromatic compounds of plant biomass are toxic for most fungi already at low levels, and therefore conversion of these compounds to less toxic metabolites is essential for fungi. Although the release of aromatic compounds from plant biomass by fungi has been studied extensively, relatively little attention has been given to the metabolic pathways that convert the resulting aromatic monomers. In this review we provide an overview of the aromatic components of plant biomass, and their release and conversion by fungi. Finally, we will summarize the applications of fungal systems related to plant aromatics.

  16. Water-soluble constituents of caraway: aromatic compound, aromatic compound glucoside and glucides.

    Science.gov (United States)

    Matsumura, Tetsuko; Ishikawa, Toru; Kitajima, Junichi

    2002-10-01

    From the water-soluble portion of the methanolic extract of caraway (fruit of Carum carvi L.), an aromatic compound, an aromatic compound glucoside and a glucide were isolated together with 16 known compounds. Their structures were clarified as 2-methoxy-2-(4'-hydroxyphenyl)ethanol, junipediol A 2-O-beta-D-glucopyranoside and L-fucitol, respectively.

  17. 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

  18. Open University

    CERN Document Server

    Pentz,M

    1975-01-01

    Michel Pentz est née en Afrique du Sud et venu au Cern en 1957 comme physicien et président de l'associaion du personnel. Il est également fondateur du mouvement Antiapartheid de Genève et a participé à la fondation de l'Open University en Grande-Bretagne. Il nous parle des contextes pédagogiques, culturels et nationaux dans lesquels la méthode peut s'appliquer.

  19. Influence of water saturation on propagation of elastic waves in transversely isotropic nearly saturated soil

    Institute of Scientific and Technical Information of China (English)

    李保忠; 蔡袁强

    2003-01-01

    Biot's two-phase theory for fluid-saturated porous media was applied in a study carried out to investigate the influence of water saturation on propagation of elastic wave in transversely isotropic nearly saturated soil. The characteristic equations for wave propagation were derived and solved analytically. The results showed that there are four waves: the first and second quasi-longitudinal waves (QP1 and QP2), the quasi-transverse wave (QSV) and the anti-plane transverse wave (SH). Numerical results are given to illustrate the influence of saturation on the velocity, dispersion and attenuation of the four body waves. Some typical numerical results are discussed and plotted. The results can be meaningful for soil dynamics and earthquake engineering.

  20. Controls on Highly Siderophile Element Concentrations in Martian Basalt: Sulfide Saturation and Under-Saturation

    Science.gov (United States)

    Righter, Kevin

    2009-01-01

    Highly siderophile elements (HSE; Re, Au and the platinum group elements) in shergottites exhibit a wide range from very high, similar to the terrestrial mantle, to very low, similar to sulfide saturated mid ocean ridge basalt (e.g., [1]). This large range has been difficult to explain without good constraints on sulfide saturation or under-saturation [2]. A new model for prediction of sulfide saturation places new constraints on this problem [3]. Shergottite data: For primitive shergottites, pressure and temperature estimates are between 1.2-1.5 GPa, and 1350-1470 C [4]. The range of oxygen fugacities is from FMQ-2 to IW, where the amount of Fe2O3 is low and thus does not have a significant effect on the S saturation values. Finally, the bulk compositions of shergottites have been reported in many recent studies (e.g., [5]). All of this information will be used to test whether shergottites are sulfide saturated [3]. Modeling values and results: The database for HSE partition coefficients has been growing with many new data for silicates and oxides [6-8] to complement a large sulfide database [9- 11]. Combining these data with simple batch melting models allows HSE contents of mantle melts to be estimated for sulfide-bearing vs. sulfide-free mantle. Combining such models with fractional crystallization modeling (e.g., [12]) allows HSE contents of more evolved liquids to be modeled. Most primitive shergottites have high HSE contents (and low S contents) that can be explained by sulfide under-saturated melting of the mantle. An exception is Dhofar 019 which has high S contents and very low HSE contents suggesting sulfide saturation. Most evolved basaltic shergottites have lower S contents than saturation, and intermediate HSE contents that can be explained by olivine, pyroxene, and chromite fractionation. An exception is EET A79001 lithology B, which has very low HSE contents and S contents higher than sulfide saturation values . evidence for sulfide saturation

  1. Saturation dynamics and working limits of saturated absorption cavity ringdown spectroscopy.

    Science.gov (United States)

    Sadiek, Ibrahim; Friedrichs, Gernot

    2016-08-17

    Cavity ringdown spectroscopy (CRDS) in the linear absorption regime is a well-established method for sensitive trace gas detection, but only a few studies have addressed quantitative measurements in the presence of a saturated sample. In fact, saturation is usually avoided in order to escape from the required complex modeling of the saturation process that depends on the characteristics of the absorbing species, its interaction with the surrounding gas as well as on the temporal and spectral characteristics of the cavity excitation. Conversely, the novel saturated-absorption cavity ringdown spectroscopy approach (SCAR/Sat-CRDS) takes advantage of sample saturation in order to allow one to extract both the gas absorption and the empty cavity loss rates from a single ringdown event. Using a new continuous-wave infrared CRD spectrometer equipped with a tunable narrow-bandwidth high-power OPO laser system and a 18 bit digitizer, the transient dynamics of absorption saturation and the working limits of the Sat-CRDS approach in terms of its ability to extract reliable trace gas concentrations have been experimentally studied in this work. Using a strong methane transition as a test case, the excitation power P0 and saturation power PS have been systematically varied to explore a wide range of saturation regimes. At pressures 5 μbar γc, a pronounced coupling between the two parameters has been observed. Finally, a standard error analysis was performed revealing that the Sat-CRDS approach holds its advantages over conventional CRDS implementations in particular when the attainable ultimate detection sensitivity is limited by uncertainties in the empty cavity ringdown constant.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2005-03-16

    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.

  3. Flux saturation length of sediment transport.

    Science.gov (United States)

    Pähtz, Thomas; Kok, Jasper F; Parteli, Eric J R; Herrmann, Hans J

    2013-11-22

    Sediment transport along the surface drives geophysical phenomena as diverse as wind erosion and dune formation. The main length scale controlling the dynamics of sediment erosion and deposition is the saturation length Ls, which characterizes the flux response to a change in transport conditions. Here we derive, for the first time, an expression predicting Ls as a function of the average sediment velocity under different physical environments. Our expression accounts for both the characteristics of sediment entrainment and the saturation of particle and fluid velocities, and has only two physical parameters which can be estimated directly from independent experiments. We show that our expression is consistent with measurements of Ls in both aeolian and subaqueous transport regimes over at least 5 orders of magnitude in the ratio of fluid and particle density, including on Mars.

  4. The Danish tax on saturated fat

    DEFF Research Database (Denmark)

    Jensen, Jørgen Dejgård; Smed, Sinne

    2013-01-01

    Denmark introduced a new tax on saturated fat in food products with effect from October 2011. The objective of this paper is to make an effect assessment of this tax for some of the product categories most significantly affected by the new tax, namely fats such as butter, butter-blends, margarine...... and oils. This assessment is done by conducting an econometric analysis on weekly food purchase data from a large household panel dataset (GfK Consumer Tracking Scandinavia), spanning the period from January 2008 until July 2012.The econometric analysis suggest that the introduction of the tax on saturated...... fat in food products has had some effects on the market for the considered products, in that the level of consumption of fats dropped by 10 – 20%. Furthermore, the analysis points at shifts in demand from high-price supermarkets towards low-price discount stores – at least for some types of oils...

  5. The danish tax on saturated fat

    DEFF Research Database (Denmark)

    Jensen, Jørgen Dejgård; Smed, Sinne

    Denmark introduced a new tax on saturated fat in food products with effect from October 2011. The objective of this paper is to make an effect assessment of this tax for some of the product categories most significantly affected by the new tax, namely fats such as butter, butter-blends, margarine...... on saturated fat in food products has had some effects on the market for the considered products, in that the level of consumption of fats dropped by 10 – 20%. Furthermore, the analysis points at shifts in demand from high-price supermarkets towards low-price discount stores – a shift that seems to have been...... – and broaden – the analysis at a later stage, when data are available for a longer period after the introduction of the fat tax....

  6. Cause of winter gravity wave spectrum saturation

    Institute of Scientific and Technical Information of China (English)

    WU; Yongfu; XU; Jiyao

    2005-01-01

    This paper utilizes horizontal velocity measurements observed from 19 chaff rockets and nearly simultaneous temperature measurements collected from 19 falling sphere rockets to study the cause of winter gravity wave spectrum saturation. Results suggest that strong horizontal velocity shears larger than 0.04 s-1 are observed to be present at various heights near the winter mesopause. On one single chaff rocket flight, an extremely strong horizontal velocity shear as high as 0.33 s-1 is observed at 87.4 km and is believed to be the strongest value ever measured in the mesosphere. These strong horizontal velocity shears, together with Brunt-V(a)is(a)l(a) frequency squared obtained from the temperature profile, act collectively to yield two dynamical instability regions of Richardson number smaller than 1/4, suggesting that the saturated gravity wave spectrum observed by the chaff rockets in winter is a result of dynamical instability.

  7. Wave propagation in thermoelastic saturated porous medium

    Indian Academy of Sciences (India)

    M D Sharma

    2008-12-01

    Biot ’s theory for wave propagation in saturated porous solid is modified to study the propagation of thermoelastic waves in poroelastic medium. Propagation of plane harmonic waves is considered in isotropic poroelastic medium. Relations are derived among the wave-induced temperature in the medium and the displacements of fluid and solid particles. Christoffel equations obtained are modified with the thermal as well as thermoelastic coupling parameters. These equations explain the existence and propagation of four waves in the medium. Three of the waves are attenuating longitudinal waves and one is a non-attenuating transverse wave. Thermal properties of the medium have no effect on the transverse wave. The velocities and attenuation of the longitudinal waves are computed for a numerical model of liquid-saturated sandstone. Their variations with thermal as well as poroelastic parameters are exhibited through numerical examples.

  8. Stabilization of Neutral Systems with Saturating Actuators

    Directory of Open Access Journals (Sweden)

    F. El Haoussi

    2012-01-01

    to determine stabilizing state-feedback controllers with large domain of attraction, expressed as linear matrix inequalities, readily implementable using available numerical tools and with tuning parameters that make possible to select the most adequate solution. These conditions are derived by using a Lyapunov-Krasovskii functional on the vertices of the polytopic description of the actuator saturations. Numerical examples demonstrate the effectiveness of the proposed technique.

  9. 2D Saturable Absorbers for Fibre Lasers

    Directory of Open Access Journals (Sweden)

    Robert I. Woodward

    2015-11-01

    Full Text Available Two-dimensional (2D nanomaterials are an emergent and promising platform for future photonic and optoelectronic applications. Here, we review recent progress demonstrating the application of 2D nanomaterials as versatile, wideband saturable absorbers for Q-switching and mode-locking fibre lasers. We focus specifically on the family of few-layer transition metal dichalcogenides, including MoS2, MoSe2 and WS2.

  10. Gluon saturation beyond (naive) leading logs

    Energy Technology Data Exchange (ETDEWEB)

    Beuf, Guillaume

    2014-12-15

    An improved version of the Balitsky–Kovchegov equation is presented, with a consistent treatment of kinematics. That improvement allows to resum the most severe of the large higher order corrections which plague the conventional versions of high-energy evolution equations, with approximate kinematics. This result represents a further step towards having high-energy QCD scattering processes under control beyond strict Leading Logarithmic accuracy and with gluon saturation effects.

  11. 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.

  12. Modeling of synchronous machines with magnetic saturation

    Energy Technology Data Exchange (ETDEWEB)

    Rehaoulia, H. [Universite de Tunis-Ecole Superieure des Sciences et Techniques de Tunis (Unite de Recherche CSSS), 5 Avenue Taha Hussein Tunis 10008 (Tunisia); Henao, H.; Capolino, G.A. [Universite de Picardie Jules Vernes-Centre de Robotique, d' Electrotechnique et d' Automatique (UPRES-EA3299), 33 Rue Saint Leu, 80039 Amiens Cedex 1 (France)

    2007-04-15

    This paper deals with a method to derive multiple models of saturated round rotor synchronous machines, based on different selections of state-space variables. By considering the machine currents and fluxes as space vectors, possible d-q models are discussed and adequately numbered. As a result several novel models are found and presented. It is shown that the total number of d-q models for a synchronous machine, with basic dampers, is 64 and therefore much higher than known. Found models are classified into three families: current, flux and mixed models. These latter, the mixed ones, constitute the major part (52) and hence offer a large choice. Regarding magnetic saturation, the paper also presents a method to account for whatever the choice of state-space variables. The approach consists of just elaborating the saturation model with winding currents as main variables and deriving all the other models from it, by ordinary mathematical manipulations. The paper emphasizes the ability of the proposed approach to develop any existing model without exception. An application to prove the validity of the method and the equivalence between all developed models is reported. (author)

  13. 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.

  14. Thermochemical factors affecting the dehalogenation of aromatics.

    Science.gov (United States)

    Sadowsky, Daniel; McNeill, Kristopher; Cramer, Christopher J

    2013-12-17

    Halogenated aromatics are one of the largest chemical classes of environmental contaminants, and dehalogenation remains one of the most important processes by which these compounds are degraded and detoxified. The thermodynamic constraints of aromatic dehalogenation reactions are thus important for understanding the feasibility of such reactions and the redox conditions necessary for promoting them. Accordingly, the thermochemical properties of the (poly)fluoro-, (poly)chloro-, and (poly)bromobenzenes, including standard enthalpies of formation, bond dissociation enthalpies, free energies of reaction, and the redox potentials of Ar-X/Ar-H couples, were investigated using a validated density functional protocol combined with continuum solvation calculations when appropriate. The results highlight the fact that fluorinated aromatics stand distinct from their chloro- and bromo- counterparts in terms of both their relative thermodynamic stability toward dehalogenation and how different substitution patterns give rise to relevant properties, such as bond strengths and reduction potentials.

  15. Solubilization isotherms of aromatic solutes in surfactant aggregates

    Energy Technology Data Exchange (ETDEWEB)

    Gadelle, F.; Koros, W.J.; Schechter, R.S. (Univ. of Texas, Austin, TX (United States). Dept. of Chemical Engineering)

    1995-03-01

    Several factors affecting solubilization of aromatic solutes in surfactant micelles have been investigated. Solubilization isotherms of benzene, toluene, and chlorobenzene in various aqueous micellar solutions were determined using head space gas chromatography. Cationic surfactants such as cetylpyridinium chloride or cetyltrimethylammonium bromide present high solubilization capacities. Comparable anionic surfactants exhibit lower solubilization and a greater tendency to precipitate. It was observed that nonionic surfactants show high solubilization on a molar basis. Solubilization in mixed cationic-anionic micelles was also investigated. It also appears that the molecular size of the solute determines the extent of the solubilization. Finally, the shape of the different isotherms indicates that knowing the amount solubilized at saturation of the micellar solution is not sufficient to estimate solubilization at solute concentrations lower than the solute aqueous solubility. Solubilization of organics in surfactant micelles is of major importance in many applications. One new application is micellar-enhanced ultrafiltration. Another application of interest is the surfactant-enhanced aquifer remediation, a process in which a micellar aqueous solution is flushed into contaminated groundwaters to enhance recovery of pollutants by micellar solubilization.

  16. Production of aromatics from di- and polyoxygenates

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-09-13

    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 Group VIII metal and a crystalline alumina support.

  17. Production of aromatics from di- and polyoxygenates

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-08-02

    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.

  18. Cooperativity and saturation in biochemical networks: a saturable formalism using Taylor series approximations.

    Science.gov (United States)

    Sorribas, Albert; Hernández-Bermejo, Benito; Vilaprinyo, Ester; Alves, Rui

    2007-08-01

    Cooperative and saturable systems are common in molecular biology. Nevertheless, common canonical formalisms for kinetic modeling that are theoretically well justified do not have a saturable form. Modeling and fitting data from saturable systems are widely done using Hill-like equations. In practice, there is no theoretical justification for the generalized use of these equations, other than their ability to fit experimental data. Thus it is important to find a canonical formalism that is (a) theoretically well supported, (b) has a saturable functional form, and (c) can be justifiably applicable to any biochemical network. Here we derive such a formalism using Taylor approximations in a special transformation space defined by power-inverses and logarithms of power-inverses. This formalism is generalized for processes with n-variables, leading to a useful mathematical representation for molecular biology: the Saturable and Cooperative Formalism (SC formalism). This formalism provides an appropriate representation that can be used for modeling processes with cooperativity and saturation. We also show that the Hill equation can be seen as a special case within this formalism. Parameter estimation for the SC formalism requires information that is also necessary to build Power-Law models, Metabolic Control Analysis descriptions or (log)linear and Lin-log models. In addition, the saturation fraction of the relevant processes at the operating point needs to be considered. The practical use of the SC formalism for modeling is illustrated with a few examples. Similar models are built using different formalisms and compared to emphasize advantages and limitations of the different approaches.

  19. Assessing aromaticity and the degree of aromatic condensation of pyrogenic carbon

    Science.gov (United States)

    Wiedemeier, D. B.; Abiven, S.; Hockaday, W. C.; Keiluweit, M.; Kleber, M.; Masiello, C. A.; McBeath, A. V.; Nico, P. S.; Pyle, L. A.; Schneider, M. P.; Smernik, R. J.; Wiesenberg, G. L.; Schmidt, M. W.

    2013-12-01

    Fire-derived, pyrogenic carbon (PyC) is a persistent organic carbon fraction in soils because it is relatively resistant against chemical and biological degradation. PyC thus represents a carbon sequestration potential in the global carbon cycle and was also reported to be potentially beneficial for soil fertility. PyC is naturally added to soils during wildfires and anthropogenically in the form of biochar, after organic waste is pyrolyzed. Aromaticity and the degree of aromatic condensation are the two main quality properties of PyC that probably determine its persistence against degradation. Consequently, the two properties largely influence the PyC's carbon sequestration potential as well as the duration, during which it can provide benefits to the soil. Aromaticity and the degree of aromatic condensation of PyC should theoretically be dependent on pyrolysis conditions, such as highest heating temperature or pyrolysis time, and also depend on the feedstock. In this study, we used two different pyrolysis procedures and four different feedstocks to produce four thermosequences of 38 chars in total, with highest heating temperatures ranging from 100 - 1000° C. The chars were then analyzed with an extensive suite of seven different methods: solid state 13C nuclear magnetic resonance (13C NMR), diffuse infrared Fourier transform spectroscopy (DRIFT), synchrotron-based near-edge X-ray absorption fine structure analysis (NEXAFS), benzene polycarboxylic acid analysis (BPCA), lipid analysis, elemental analysis and helium pycnometry. These methods allowed to infer the aromaticity and the degree of aromatic condensation of the differently pyrolyzed materials. Using multivariate statistical methods, aromaticity and the degree of aromatic condensation could successfully be linked to highest heating temperature and other pyrolysis conditions because characteristic patterns of the two aromatic properties could be observed by different methods throughout all four

  20. 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

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

    Science.gov (United States)

    Smith, Robert E.; Dolbeare, Frank A.

    1979-01-01

    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, 5-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.

  2. OpenER, a Dutch Initiative in Open Educational Resources

    Science.gov (United States)

    Schuwer, Robert; Mulder, Fred

    2009-01-01

    Over the period 2006-2008, the Dutch Open Universiteit Nederland conducted an experiment in which Open Educational Resources (OER) were offered in an effort to bridge the gap between informal and formal learning and to establish a new style of entry portal to higher education with no barriers at all. OpenER received considerable attention both in…

  3. PLD-grown thin film saturable absorbers

    Energy Technology Data Exchange (ETDEWEB)

    Tellkamp, Friedjof

    2012-11-01

    The subject of this thesis is the preparation and characterization of thin films made of oxidic dielectrics which may find their application as saturable absorber in passively Q-switched lasers. The solely process applied for fabrication of the thin films was the pulsed laser deposition (PLD) which stands out against other processes by its flexibility considering the composition of the systems to be investigated. Within the scope of this thesis the applied saturable absorbers can be divided into two fundamentally different kinds of functional principles: On the one hand, saturable absorption can be achieved by ions embedded in a host medium. Most commonly applied bulk crystals are certain garnets like YAG (Y{sub 3}Al{sub 5}O{sub 12}) or the spinel forsterite (Mg{sub 2}SiO{sub 4}), in each case with chromium as dopant. Either of these media was investigated in terms of their behavior as PLD-grown saturable absorber. Moreover, experiments with Mg{sub 2}GeO{sub 4}, Ca{sub 2}GeO{sub 4}, Sc{sub 2}O{sub 3}, and further garnets like YSAG or GSGG took place. The absorption coefficients of the grown films of Cr{sup 4+}:YAG were determined by spectroscopic investigations to be one to two orders of magnitude higher compared to commercially available saturable absorbers. For the first time, passive Q-switching of a Nd:YAG laser at 1064 nm with Cr{sup 4+}:YAG thin films could be realized as well as with Cr:Sc{sub 2}O{sub 3} thin films. On the other hand, the desirable effect of saturable absorption can also be generated by quantum well structures. For this purpose, several layer system like YAG/LuAG, Cu{sub 2}O/MgO, and ZnO/corumdum were investigated. It turned out that layer systems with indium oxide (In{sub 2}O{sub 3}) did not only grew in an excellent way but also showed up a behavior regarding their photo luminescence which cannot be explained by classical considerations. The observed luminescence at roughly 3 eV (410 nm) was assumed to be of excitonic nature and its

  4. Trans Fat Now Listed With Saturated Fat and Cholesterol

    Science.gov (United States)

    ... Trans Fat Now Listed With Saturated Fat and Cholesterol Share Tweet Linkedin Pin it More sharing options ... I Do About Saturated Fat, Trans Fat, and Cholesterol? When comparing foods, look at the Nutrition Facts ...

  5. Openness initiative

    Energy Technology Data Exchange (ETDEWEB)

    Duncan, S.S. [Los Alamos National Lab., NM (United States)

    1995-12-31

    Although antinuclear campaigns seem to be effective, public communication and education efforts on low-level radioactive waste have mixed results. Attempts at public information programs on low-level radioactive waste still focus on influencing public opinion. A question then is: {open_quotes}Is it preferable to have a program focus on public education that will empower individuals to make informed decisions rather than trying to influence them in their decisions?{close_quotes} To address this question, a case study with both quantitative and qualitative data will be used. The Ohio Low-Level Radioactive Waste Education Program has a goal to provide people with information they want/need to make their own decisions. The program initiated its efforts by conducting a statewide survey to determine information needed by people and where they turned for that information. This presentation reports data from the survey and then explores the program development process in which programs were designed and presented using the information. Pre and post data from the programs reveal attitude and knowledge shifts.

  6. Modeling of Water Movement Near Saturation

    Science.gov (United States)

    Ippisch, O.; Graf, H.; Bastian, P.; Roth, K.

    Water transport in unsaturated porous media is often described using Richards' equa- tion. However Richards' equation is based on the assumption that the gas phase is mobile enough to be always (nearly) at atmospheric pressure. This assumption is not valid if the porous medium is nearly saturated with water. The difference between model calculations using Richards' equation and a multiphase formulation is analyzed and compared to results from multistep outflow experiments with columns of sintered glass. The chosen parameterization for the hydraulic param- eters (van Genuchten/Brooks-Corey) proves to expecially important.

  7. Elevated transferrin saturation and risk of diabetes

    DEFF Research Database (Denmark)

    Ellervik, Christina; Mandrup-Poulsen, Thomas; Andersen, Henrik Ullits;

    2011-01-01

    OBJECTIVE We tested the hypothesis that elevated transferrin saturation is associated with an increased risk of any form of diabetes, as well as type 1 or type 2 diabetes separately. RESEARCH DESIGN AND METHODS We used two general population studies, The Copenhagen City Heart Study (CCHS, N = 9......,121) and The Copenhagen General Population Study (CGPS, N = 24,195), as well as a 1:1 age- and sex-matched population-based case-control study with 6,129 patients with diabetes from the Steno Diabetes Centre and 6,129 control subjects, totaling 8,535 patients with diabetes and 37,039 control subjects. RESULTS...

  8. Evolutions of Compaction Bands of Saturated Soils

    Institute of Scientific and Technical Information of China (English)

    鲁晓兵; 王义华; 崔鹏

    2004-01-01

    The development of compaction bands in saturated soils, which is coupling-rate, inertial and pore-pressure-dependent, under axisymmetric loading was discussed, using a simple model and a matching technique at the moving boundary of a band. It is shown that the development of compaction bands is dominated by the coupling-rate and pore-pressure effects of material. The soil strength makes the band shrinking, whilst pore pressure diffusion makes the band expand. Numerical simulations were carried out in this paper.

  9. Chloride diffusion in partially saturated cementitious material

    DEFF Research Database (Denmark)

    Nielsen, Erik Pram; Geiker, Mette Rica

    2003-01-01

    The paper proposes a combined application of composite theory and Powers' model for microstructural development for the estimation of the diffusion coefficient as a function of the moisture content of a defect-free cementitious material. Measurements of chloride diffusion in mortar samples (440 kg....../m(3) rapid-hardening Portland cement, w/c = 0.5, maturity minimum 6 months) stored at 65% and 85% RH, as well as in vacuum-saturated mortar samples, illustrate the applicability of the method. (C) 2003 Elsevier Science Ltd. All rights reserved....

  10. RECOVERY OF URANIUM BY AROMATIC DITHIOCARBAMATE COMPLEXING

    Science.gov (United States)

    Neville, O.K.

    1959-08-11

    A selective complexing organic solvent extraction process is presented for the separation of uranium values from an aqueous nitric acid solution of neutron irradiated thorium. The process comprises contacting the solution with an organic aromatic dithiccarbamaie and recovering the resulting urancdithiccarbamate complex with an organic solvent such as ethyl acetate.

  11. Bacterial formation of hydroxylated aromatic compounds.

    NARCIS (Netherlands)

    Tweel, van den W.J.J.

    1988-01-01

    As stated in the introduction of this thesis, hydroxylated aromatic compounds in general are of great importance for various industries as for instance pharmaceutical, agrochemical and petrochemical industries. Since these compounds can not be isolated in sufficient amounts from natural resources, t

  12. THE POLYMERIZATION OF AROMATIC AND HETEROCYCLIC DINITRILES

    Institute of Scientific and Technical Information of China (English)

    HUANG Zhitang

    1988-01-01

    This review is a concise survey about the works in our laboratory on the polymerization of aromatic and heterocyclic dinitriles, including the polymerization kinetics and mechanism, synthesis of heterocyclic dinitriles, the structure of polymers, and the correlation between the structures of dinitriles and polymerization rates and thermal performances of polymers.

  13. 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.

  14. Fate and biodegradability of sulfonated aromatic amines

    NARCIS (Netherlands)

    Tan, N.C.G.; Leeuwen, van A.; Voorthuizen, van E.M.; Slenders, P.; Prenafeta, F.X.; Temmink, H.; Lettinga, G.; Field, J.A.

    2005-01-01

    Ten sulfonated aromatic amines were tested for their aerobic and anaerobic biodegradability and toxicity potential in a variety of environmental inocula. Of all the compounds tested, only two aminobenzenesulfonic acid (ABS) isomers, 2- and 4-ABS, were degraded. The observed degradation occurred only

  15. Electronic Aromaticity Index for Large Rings

    CERN Document Server

    Matito, Eduard

    2015-01-01

    We introduce a new electronic aromaticity index, AV1245, consisting in the average of the 4-center MCI values along the ring that keep a positional relationship of 1,2,4,5. AV1245 measures the extent of transferability of the delocalized electrons between bonds 1-2 and 4-5, which is expected to be large in conjugated circuits and, therefore, in aromatic molecules. A new algorithm for the calculation of MCI for large rings is also introduced and used to produce the data for the calibration of the new aromaticity index. AV1245 does not rely on reference values, does not suffer from large numerical precision errors, and it does not present any limitation on the nature of atoms, the molecular geometry or the level of calculation. It is a size-extensive measure with a small computational cost that grows linearly with the number of ring members. Therefore, it is specially suitable to study the aromaticity of large molecular rings as those occurring in belt-shaped M\\"obius structures or porphyrins.

  16. 40 CFR 721.2673 - Aromatic epoxide resin (generic).

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Aromatic epoxide resin (generic). 721... Substances § 721.2673 Aromatic epoxide resin (generic). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as aromatic epoxide resin (PMN...

  17. 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...

  18. 40 CFR 721.2925 - Brominated aromatic ester.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Brominated aromatic ester. 721.2925... Substances § 721.2925 Brominated aromatic ester. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as a brominated aromatic ester (PMN...

  19. Gallbladder removal - open

    Science.gov (United States)

    Cholecystectomy - open; Surgery - gallbladder - open ... a medical instrument called a laparoscope ( laparoscopic cholecystectomy ). Open gallbladder surgery is used when laparoscopic surgery cannot ...

  20. Space charge saturated sheath regime and electron temperature saturation in Hall thrusters

    Science.gov (United States)

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

    2005-07-01

    Existing electron-wall interaction models predict that secondary electron emission in Hall thrusters is significant and that the near-wall sheaths are space charge saturated. The experimental electron-wall collision frequency is computed using plasma parameters measured in a laboratory Hall thruster. In spite of qualitative similarities between the measured and predicted dependencies of the maximum electron temperature on the discharge voltage, the deduced electron-wall collision frequency for high discharge voltages is much lower than the theoretical value obtained for space charge saturated sheath regime, but larger than the wall recombination frequency. The observed electron temperature saturation appears to be directly associated with a decrease of the Joule heating rather than with the enhancement of the electron energy loss at the walls due to a strong secondary electron emission. Another interesting experimental result is related to the near-field plasma plume, where electron energy balance appears to be independent on the magnetic field.

  1. Inhibition of human two-pore domain K+ channel TREK1 by local anesthetic lidocaine: negative cooperativity and half-of-sites saturation kinetics.

    Science.gov (United States)

    Nayak, Tapan K; Harinath, S; Nama, S; Somasundaram, K; Sikdar, S K

    2009-10-01

    TWIK-related K+ channel TREK1, a background leak K+ channel, has been strongly implicated as the target of several general and local anesthetics. Here, using the whole-cell and single-channel patch-clamp technique, we investigated the effect of lidocaine, a local anesthetic, on the human (h)TREK1 channel heterologously expressed in human embryonic kidney 293 cells by an adenoviral-mediated expression system. Lidocaine, at clinical concentrations, produced reversible, concentration-dependent inhibition of hTREK1 current, with IC(50) value of 180 muM, by reducing the single-channel open probability and stabilizing the closed state. We have identified a strategically placed unique aromatic couplet (Tyr352 and Phe355) in the vicinity of the protein kinase A phosphorylation site, Ser348, in the C-terminal domain (CTD) of hTREK1, that is critical for the action of lidocaine. Furthermore, the phosphorylation state of Ser348 was found to have a regulatory role in lidocaine-mediated inhibition of hTREK1. It is interesting that we observed strong intersubunit negative cooperativity (Hill coefficient = 0.49) and half-of-sites saturation binding stoichiometry (half-reaction order) for the binding of lidocaine to hTREK1. Studies with the heterodimer of wild-type (wt)-hTREK1 and Delta119 C-terminal deletion mutant (hTREK1(wt)-Delta119) revealed that single CTD of hTREK1 was capable of mediating partial inhibition by lidocaine, but complete inhibition necessitates the cooperative interaction between both the CTDs upon binding of lidocaine. Based on our observations, we propose a model that explains the unique kinetics and provides a plausible paradigm for the inhibitory action of lidocaine on hTREK1.

  2. Extended Reconstruction Approaches for Saturation Measurements Using Reserved Quantization Indices

    DEFF Research Database (Denmark)

    Li, Peng; Arildsen, Thomas; Larsen, Torben

    2012-01-01

    This paper proposes a reserved quantization indices method for saturated measurements in compressed sensing. The existing approaches tailored for saturation effect do not provide a way to identify saturated measurements, which is mandatory in practical implementations.We introduce a method using...

  3. Test of Scintillometer Saturation Correction Methods Using Field Experimental Data

    NARCIS (Netherlands)

    Kleissl, J.; Hartogensis, O.K.; Gomez, J.D.

    2010-01-01

    Saturation of large aperture scintillometer (LAS) signals can result in sensible heat flux measurements that are biased low. A field study with LASs of different aperture sizes and path lengths was performed to investigate the onset of, and corrections for, signal saturation. Saturation already occu

  4. Opening Address

    Science.gov (United States)

    Crovini, L.

    1994-01-01

    Ladies and Gentlemen To quote Mr Jean Terrien: "Physics must be one step ahead of metrology". A long-serving Director of the BIPM, he said these words when visiting the IMGC in 1970 as a member of the scientific board of our Institute. At that time it was still an open question whether the IMGC should start research work on the absolute measurement of silicon lattice spacing. Mr Terrien underlined the revolutionary character of x-ray interferometry and, eventually, he caused the balance needle to lean towards the ... right direction. Mr Terrien correctly foresaw that, like Michelson's interferometer of 1880, x-ray interferometry could have a prominent place in today's science and technology. And while, in the first case, after more than a century we can see instruments based on electromagnetic wave interaction within every one's reach in laboratories and, sometimes, in workshops, in the second case, twenty-five years since the first development of an x-ray interferometer we can witness its role in nanometrology. Today and tomorrow we meet to discuss how to go beyond the sixth decimal place in the value of the Avogadro constant. We are aware that the quest for this achievement requires the cooperation of scientists with complementary capabilities. I am sure that the present workshop is a very good opportunity to present and discuss results and to improve and extend existing cooperation. The new adjustment of fundamental constants envisaged by the CODATA Task Group is redoubling scientists' efforts to produce competitive values of NA. The results of the measurements of the silicon lattice spacing in terms of an optical wavelength, which were available for the 1986 adjustment, combined with the determination of silicon molar volume, demonstrate how such an NA determination produces a consistent set of other constants and opens the way to a possible redefinition of the kilogram. We shall see in these two days how far we have progressed along this road. For us at the

  5. Nuclear Magnetic Resonance Measurements of Original Water Saturation and Mobile Water Saturation in Low Permeability Sandstone Gas

    Institute of Scientific and Technical Information of China (English)

    GAO Shu-Sheng; YE Li-You; XIONG Wei; GUO He-Kun; HU Zhi-Ming

    2010-01-01

    @@ We use nuclear magnetic resonance(NMR)and centrifugation to measure the original water saturation and mobile water saturation of cores from the Xujiahe low permeability sandstone gas reservoir,and compare the NMR results with the corresponding field data.It is shown that the NMR water saturation after 300 psi centrifugation effectively represents the original water saturation measured by weighing fresh cores.There is a good correlation between mobile water saturation and the water production performance of the corresponding gas wells.The critical mobile water saturation whether reservoir produces water of the Xujiahe low permeability sandstone gas is 6%.The higher the mobile water saturation,the greater the water production rate of gas well.This indicates that well's water production performance can be forecasted by mobile water saturation of cores.

  6. 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?'

  7. Facilitated transport near the carrier saturation limit

    Directory of Open Access Journals (Sweden)

    Anawat Sungpet

    2002-11-01

    Full Text Available Permeation of ethylbenzene, styrene and 1-hexene through perfluorosulfonate ionomer membranes was carried out with the feed concentrations ranging from 1 M to pure. On comparison, fluxes of ethylbenzene through the Ag+-form membrane were the lowest. Only a small increase in ethylbenzene flux was observed after the feed concentration exceeded 3 M, indicating the existence of carrier saturation. The increase in styrene flux was suppressed to some degree at high concentration driving forces. In contrast, 1-hexene flux was the highest and continued to increase even at very high feed concentrations. After the experiments with pure feeds, extraction of the solutes from the membranes revealed that 62.5% of Ag+ ions reacted with 1-hexene as against 40.6% for styrene and 28.9% for ethylbenzene. Equilibrium constants, determined by distribution method, of 1-hexene, styrene and ethylbenzene were 129, 2.2 and 0.7 M-1 respectively, which suggested that stability of the complex was a key factor in the carrier saturation phenomenon.

  8. Pressure drop in saturated flow boiling

    Energy Technology Data Exchange (ETDEWEB)

    Collado, Francisco J. [Universidad de Zaragoza, Zaragoza (Spain)

    2003-07-01

    A new mass balance for flow boiling have been recently suggested by the author following a quite simple idea: if the phases have different velocities, they can not cover the same distance -the control volume length for a 1-d system- in the same time. Thus, the time scales of the phases have to be different, and we should scale the time dependent magnitudes of one phase to the other one before combining them. Furthermore, it is reasonable to think that conservation equations should have to include in some manner this evident physical fact. In complete coherence with the former mass balance, a new energy balance, which does include the slip ratio has been also stated. This work, whilst reviews these new fundamentals for saturated flow boiling, stresses those aspects related with the prediction of the pressure drop in saturated flow boiling. The new correlations found for the data carefully measured by Thom during the Cambridge project would confirm the new two-phase flowapproach.

  9. Failure of geomaterials in variably saturated soils

    Science.gov (United States)

    Song, X.; Borja, R. I.

    2013-12-01

    The first law of thermodynamics suggests an energy-conjugate relationship among degree of saturation, suction stress, and density of an unsaturated porous material. Experimental evidence affirms that this constitutive relationship exists, and that the water retention curves are dependent on the specific volume or density of the material. This constitutive feature must be incorporated into the mathematical formulation of boundary-value problems involving finite deformation. We present a fully coupled hydromechanical formulation in the finite deformation range that incorporates the variation of degree of saturation with the Kirchhoff suction stress and the Jacobian determinant of the solid-phase motion. A numerical simulation of solid deformation-fluid flow in unsaturated soil with a random microstructure demonstrates an intricate but well-established coupling of the hydromechanical processes. As deformation localizes into a persistent shear band, we show that bifurcation of the hydromechanical response manifests itself not only in the form of a softening behavior but also through bifurcation of the state paths on the water-retention surface.

  10. VARUN: discovering extensible motifs under saturation constraints.

    Science.gov (United States)

    Apostolico, Alberto; Comin, Matteo; Parida, Laxmi

    2010-01-01

    The discovery of motifs in biosequences is frequently torn between the rigidity of the model on one hand and the abundance of candidates on the other hand. In particular, motifs that include wild cards or "don't cares" escalate exponentially with their number, and this gets only worse if a don't care is allowed to stretch up to some prescribed maximum length. In this paper, a notion of extensible motif in a sequence is introduced and studied, which tightly combines the structure of the motif pattern, as described by its syntactic specification, with the statistical measure of its occurrence count. It is shown that a combination of appropriate saturation conditions and the monotonicity of probabilistic scores over regions of constant frequency afford us significant parsimony in the generation and testing of candidate overrepresented motifs. A suite of software programs called Varun is described, implementing the discovery of extensible motifs of the type considered. The merits of the method are then documented by results obtained in a variety of experiments primarily targeting protein sequence families. Of equal importance seems the fact that the sets of all surprising motifs returned in each experiment are extracted faster and come in much more manageable sizes than would be obtained in the absence of saturation constraints.

  11. Saturable absoprtion of graphene (Conference Presentation)

    Science.gov (United States)

    Marini, Andrea; Cox, Joel D.; Garcia de Abajo, Javier F.

    2016-09-01

    Saturable absorption (SA) is an inherent property of photonic materials that manifests itself as an absorption quenching at high light intensities and is a key element for passive mode-locking (PML) in laser cavities, where continuous waves break into a train of ultrashort optical pulses. Currently, state-of-the-art semiconductor-based SA mirrors are routinely employed for PML lasers. However, these mirrors operate in a narrow spectral range, are poorly tunable, and require advanced fabrication techniques. Graphene overcomes this limitation thanks to its peculiar conical band structure, providing a universally-resonant wavelength-independent SA at low light intensity that can be further electrically tuned be means of an externally applied gate voltage. Here, we calculate intraband and interband contributions to SA of extended graphene by solving non-perturbatively the single-particle Dirac equation for massless Dirac fermions in the presence of an external electromagnetic field and comparing results with atomistic calculations in the framework of tight-binding and random-phase approximation. Further, we investigate the optical properties of randomly-oriented undoped graphene flakes embedded in externally pumped amplifying media. We demonstrate a novel mechanism leading to stable and tunable single-mode cavity-free lasing characterized by a well-determined and highly coherent spatial pattern. This cavity-free lasing mechanism profoundly relies on graphene highly-saturated absorption at rather modest light intensities, a remarkable property which enables self-organization of light into a well determined spatial mode profile.

  12. Open life science research, open software and the open century

    Institute of Scientific and Technical Information of China (English)

    Youhua Chen

    2015-01-01

    At the age of knowledge explosion and mass scientific information, I highlighted the importance of conducting open science in life and medical researches through the extensive usage of open software and documents. The proposal of conducting open science is to reduce the limited repeatability of researches in life science. I outlined the essential steps for conducting open life science and the necessary standards for creating, reusing and reproducing open materials. Different Creative Commons licenses were presented and compared of their usage scope and restriction. As a conclusion, I argued that open materials should be widely adopted in doing life and medical researches.

  13. An open question.

    Science.gov (United States)

    Ayling, John

    2004-01-01

    The lungs are surrounded by the pleural membranes. The visceral pleura directly covers the lung and is separated from the parietal pleura by a layer of surfactant, which reduces friction during respiratory movement. A potential space exists between these two layers, and they may become separated by fluid or air. A lung can collapse to the size of a fist under pressure from either. Standard treatment in the field for an open chest wound is an occlusive dressing. The first thing that can be used to occlude the wound is a gloved hand. After placing the dressing, evaluate the breath sounds and determine if they have improved. The dressing should be taped down on three sides, leaving one side open to relieve the pressure during exhalation (one-way valve). "Burping" the dressing involves lifting one side to make sure any pressure buildup is relieved, as occasionally the dressing can become adhered to the skin, which may lead to a tension pneumothorax. If, after ensuring the occlusive dressing is properly in place, the respiratory rate increases, distress level worsens, oxygen saturations fall and breath sounds decrease, then needle decompression is required. A neurovascular bundle is located underneath each rib, and it is important to avoid damage to that bundle by performing a decompression over the top of a rib. If the patient is intubated before the development of a tension pneumothorax, carefully evaluate the breath sounds (especially if the left-side sounds are diminished) to determine if the ET tube needs to be withdrawn a centimeter. The rescuer performing ventilation will usually recognize a tension pneumothorax by the difficulty in bagging the patient. Remember, when you perform a needle thoracentesis, you are creating an open chest wound. Early signs and symptoms of a tension pneumothorax include diminished or absent breath sounds, severe dyspnea, narrowing pulse pressure, tachycardia and restlessness. Neck veins may be distended, but this can be a normal

  14. SITE-SCALE SATURATED ZONE TRANSPORT

    Energy Technology Data Exchange (ETDEWEB)

    S. KELLER

    2004-11-03

    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

  15. Microwave-assisted synthesis of α-hydroxy aromatic ketones from α-bromo aromatic ketones in water

    Institute of Scientific and Technical Information of China (English)

    Xiang Liu; Hai Bo Chen; Zheng Guang Pan; Jian He Xu; He Xing Li

    2011-01-01

    A reaction of α-bromo aromatic ketones in water with microwave irradiation gave the corresponding α-hydroxy aromatic ketones in good yields.The use of microwaves was found to significantly improve yields and shorten the reaction time.This reaction afforded a very clean,convenient method for the synthesis of α-hydroxy aromatic ketones.

  16. The Expected Order of Saturated RNA Secondary Structures

    CERN Document Server

    Jin, Emma Yu

    2011-01-01

    We show the expected order of RNA saturated secondary structures of size $n$ is $\\log_4n(1+O(\\frac{\\log_2n}{n}))$, if we select the saturated secondary structure uniformly at random. Furthermore, the order of saturated secondary structures is sharply concentrated around its mean. As a consequence saturated structures and structures in the traditional model behave the same with respect to the expected order. Thus we may conclude that the traditional model has already drawn the right picture and conclusions inferred from it with respect to the order (the overall shape) of a structure remain valid even if enforcing saturation (at least in expectation).

  17. Nonlinear optical properties of laser synthesized Pt nanoparticles: saturable and reverse saturable absorption

    Science.gov (United States)

    Chehrghani, A.; Torkamany, M. J.

    2014-01-01

    In this paper, the spectral and nonlinear optical properties of a colloidal solution of platinum nanoparticles (Pt NPs) in water are presented. The Pt NPs were prepared by laser ablation of a Pt metallic target in distilled water using a 1064 nm high frequency Nd:YAG laser. The intensity-dependent nonlinear optical absorption and nonlinear refraction behaviors of the sample exposed to the 532 nm nanosecond laser pulses were investigated by applying the Z-scan technique. The saturated nonlinear absorption coefficient 5.4 × 10-7 cm W-1 was obtained in a saturation intensity of 1.8 × 107 W cm-2. The saturable absorption response of the Pt NPs was switched to the reverse saturable absorption in the higher laser intensities. The nonlinear refractive index that has a negative value was increased from -3.5 × 10-13 cm2 W-1 up to -15 × 10-13 cm2 W-1 by increasing the laser intensity.

  18. Open Standards, Open Source, and Open Innovation: Harnessing the Benefits of Openness

    Science.gov (United States)

    Committee for Economic Development, 2006

    2006-01-01

    Digitization of information and the Internet have profoundly expanded the capacity for openness. This report details the benefits of openness in three areas--open standards, open-source software, and open innovation--and examines the major issues in the debate over whether openness should be encouraged or not. The report explains each of these…

  19. Torque Characteristics of Saturated Permanent-Magnet Synchronous Motors

    Science.gov (United States)

    Takahashi, Akeshi; Kikuchi, Satoshi; Wakui, Shinichi; Mikami, Hiroyuki; Ide, Kazumasa; Shima, Kazuo

    The evaluation of torque characteristics in a saturated magnetic field for permanent-magnet (PM) synchronous motors is presented. The torque saturation characteristics of non-salient and salient pole machines are investigated by finite element analysis and measurement. Thus, it is found that the torque saturation originates in the magnetic saturation in both the stator teeth, which are located on the leading position toward the direct axis, and in the stator back yoke, which is located on the lagging position toward the direct axis. This mechanism can also explain the reason for the significant torque saturation in the salient-pole machine; the higher inductance of the quadrature axis of the salient-pole machine causes a significant magnetic saturation in the stator back yoke. Therefore, less saliency or a wider back yoke can improve the torque saturation.

  20. Terahertz Saturable Absorption in Superconducting Metamaterials

    CERN Document Server

    Keiser, George R; Zhao, Xiaoguang; Zhang, Xin; Averitt, Richard D

    2016-01-01

    We present a superconducting metamaterial saturable absorber at terahertz frequencies. The absorber consists of an array of split ring resonators (SRRs) etched from a 100nm YBaCu3O7 (YBCO) film. A polyimide spacer layer and gold ground plane are deposited above the SRRs, creating a reflecting perfect absorber. Increasing either the temperature or incident electric field (E) decreases the superconducting condensate density and corresponding kinetic inductance of the SRRs. This alters the impedance matching in the metamaterial, reducing the peak absorption. At low electric fields, the absorption was optimized near 80% at T=10K and decreased to 20% at T=70K. For E=40kV/cm and T=10K, the peak absorption was 70% decreasing to 40% at 200kV/cm, corresponding to a modulation of 43%.

  1. Convection of Moist Saturated Air: Analytical Study

    Directory of Open Access Journals (Sweden)

    Robert Zakinyan

    2016-01-01

    Full Text Available In the present work, the steady-state stationary thermal convection of moist saturated air in a lower atmosphere has been studied theoretically. Thermal convection was considered without accounting for the Coriolis force, and with only the vertical temperature gradient. The analytical solution of geophysical fluid dynamics equations, which generalizes the formulation of the moist convection problem, is obtained in the two-dimensional case. The stream function is derived in the Boussinesq approximation with velocity divergence taken as zero. It has been shown that the stream function is asymmetrical in vertical direction contrary to the dry and moist unsaturated air convection. It has been demonstrated that the convection in moist atmosphere strongly depends on the vapor mass fraction gradient.

  2. From QCD to nuclear matter saturation

    Energy Technology Data Exchange (ETDEWEB)

    Ericson, Magda [Universite de Lyon, Univ. Lyon 1, CNRS/IN2P3, IPN Lyon, F-69622 Villeurbanne Cedex (France)]|[Theory division, CERN, CH-12111 Geneva (Switzerland); Chanfray, Guy [Universite de Lyon, Univ. Lyon 1, CNRS/IN2P3, IPN Lyon, F-69622 Villeurbanne Cedex (France)

    2007-03-15

    We discuss a relativistic chiral theory of nuclear matter with {sigma} and {omega} exchange using a formulation of the {sigma} model in which all the chiral constraints are automatically fulfilled. We establish a relation between the nuclear response to the scalar field and the QCD one which includes the nucleonic parts. It allows a comparison between nuclear and QCD information. Going beyond the mean field approach we introduce the effects of the pion loops supplemented by the short-range interaction. The corresponding Landau-Migdal parameters are taken from spin-isospin physics results. The parameters linked to the scalar meson exchange are extracted from lattice QCD results. These inputs lead to a reasonable description of the saturation properties, illustrating the link between QCD and nuclear physics. We also derive from the corresponding equation of state the density dependence of the quark condensate and of the QCD susceptibilities. (authors)

  3. Saturation and time dependence of geodynamo models

    CERN Document Server

    Schrinner, M; Cameron, R; Hoyng, P

    2009-01-01

    In this study we address the question under which conditions a saturated velocity field stemming from geodynamo simulations leads to an exponential growth of the magnetic field in a corresponding kinematic calculation. We perform global self-consistent geodynamo simulations and calculate the evolution of a kinematically advanced tracer field. The self-consistent velocity field enters the induction equation in each time step, but the tracer field does not contribute to the Lorentz force. This experiment has been performed by Cattaneo & Tobias (2009) and is closely related to the test field method by Schrinner et al. (2005, 2007). We find two dynamo regimes in which the tracer field either grows exponentially or approaches a state aligned with the actual self-consistent magnetic field after an initial transition period. Both regimes can be distinguished by the Rossby number and coincide with the dipolar and multipolar dynamo regimes identified by Christensen & Aubert (2006). Dipolar dynamos with low Ros...

  4. Saturated Reconstruction of a Volume of Neocortex.

    Science.gov (United States)

    Kasthuri, Narayanan; Hayworth, Kenneth Jeffrey; Berger, Daniel Raimund; Schalek, Richard Lee; Conchello, José Angel; Knowles-Barley, Seymour; Lee, Dongil; Vázquez-Reina, Amelio; Kaynig, Verena; Jones, Thouis Raymond; Roberts, Mike; Morgan, Josh Lyskowski; Tapia, Juan Carlos; Seung, H Sebastian; Roncal, William Gray; Vogelstein, Joshua Tzvi; Burns, Randal; Sussman, Daniel Lewis; Priebe, Carey Eldin; Pfister, Hanspeter; Lichtman, Jeff William

    2015-07-30

    We describe automated technologies to probe the structure of neural tissue at nanometer resolution and use them to generate a saturated reconstruction of a sub-volume of mouse neocortex in which all cellular objects (axons, dendrites, and glia) and many sub-cellular components (synapses, synaptic vesicles, spines, spine apparati, postsynaptic densities, and mitochondria) are rendered and itemized in a database. We explore these data to study physical properties of brain tissue. For example, by tracing the trajectories of all excitatory axons and noting their juxtapositions, both synaptic and non-synaptic, with every dendritic spine we refute the idea that physical proximity is sufficient to predict synaptic connectivity (the so-called Peters' rule). This online minable database provides general access to the intrinsic complexity of the neocortex and enables further data-driven inquiries.

  5. Dissolved and Suspended Polycyclic Aromatic Hydrocarbons (PAH in the North Aegean Sea

    Directory of Open Access Journals (Sweden)

    I. HATZIANESTIS

    2012-12-01

    Full Text Available The distribution and sources of polycyclic aromatic hydrocarbons (PAH were investigated in the seawater of the North Aegean Sea. The measured PAH concentrations in SPM are generally considered as elevated for open sea waters and were evenly distributed in the area. Their levels in the dissolved phase (1.6-33.0 ng/l were much higher than those encountered in the corresponding particulate phases (0.04-10.2 ng/l. The PAH patterns in both phases were dominated by the three ring aromatics and their alkylated derivatives, reflecting a predominant contribution of fossil hydrocarbons probably related to ship traffic, whereas no significant inputs from the rivers outfalling in the area were detected. In bottom waters PAH values were generally lower, whereas a higher depletion of the petroleum PAH in comparison with the pyrolytic ones according to depth was observed.

  6. Climatological distribution of aragonite saturation state in the global oceans

    Science.gov (United States)

    Jiang, Li-Qing; Feely, Richard A.; Carter, Brendan R.; Greeley, Dana J.; Gledhill, Dwight K.; Arzayus, Krisa M.

    2015-10-01

    Aragonite saturation state (Ωarag) in surface and subsurface waters of the global oceans was calculated from up-to-date (through the year of 2012) ocean station dissolved inorganic carbon (DIC) and total alkalinity (TA) data. Surface Ωarag in the open ocean was always supersaturated (Ω > 1), ranging between 1.1 and 4.2. It was above 2.0 (2.0-4.2) between 40°N and 40°S but decreased toward higher latitude to below 1.5 in polar areas. The influences of water temperature on the TA/DIC ratio, combined with the temperature effects on inorganic carbon equilibrium and apparent solubility product (K'sp), explain the latitudinal differences in surface Ωarag. Vertically, Ωarag was highest in the surface mixed layer. Higher hydrostatic pressure, lower water temperature, and more CO2 buildup from biological activity in the absence of air-sea gas exchange helped maintain lower Ωarag in the deep ocean. Below the thermocline, aerobic decomposition of organic matter along the pathway of global thermohaline circulation played an important role in controlling Ωarag distributions. Seasonally, surface Ωarag above 30° latitudes was about 0.06 to 0.55 higher during warmer months than during colder months in the open-ocean waters of both hemispheres. Decadal changes of Ωarag in the Atlantic and Pacific Oceans showed that Ωarag in waters shallower than 100 m depth decreased by 0.10 ± 0.09 (-0.40 ± 0.37% yr-1) on average from the decade spanning 1989-1998 to the decade spanning 1998-2010.

  7. Aromatic characterization of pot distilled kiwi spirits.

    Science.gov (United States)

    López-Vázquez, Cristina; García-Llobodanin, Laura; Pérez-Correa, José Ricardo; López, Francisco; Blanco, Pilar; Orriols, Ignacio

    2012-03-07

    This study contributes fundamental knowledge that will help to develop a distillate of kiwi wine, made from kiwis of the Hayward variety grown in the southwest of Galicia (Spain). Two yeast strains, L1 (Saccharomyces cerevisiae ALB-6 from the EVEGA yeast collection) and L2 (S. cerevisiae Uvaferm BDX from Lallemand) were assessed to obtain a highly aromatic distillate. The kiwi spirits obtained were compared with other fruit spirits, in terms of higher alcohols, minor alcohols, monoterpenols, and other minor compounds, which are relevant in determining the quality and taste of the kiwi spirits. It was found that the kiwi juice fermented with yeast L1 produced a more aromatic distillate. In addition, kiwi distillates produced with both yeasts had the same ratio of trans-3-hexen-1-ol and cis-3-hexen-1-ol, which is lower than that found in other fruit distillates.

  8. Polyimides derived from non-aromatic monomers

    Energy Technology Data Exchange (ETDEWEB)

    Volksen, W.; Sanchez, M.I.; Cha, Hyuk-Jin; Yoon, D.Y. [IBM Almaden Research Center, San Jose, CA (United States)

    1995-12-01

    In recent years the shift in emphasis on high performance polymers, such as polyimides for microelectronic applications, has led to the search for other potential applications utilizing the unique properties of this class of polymers. In this context, polyimides incorporating non-aromatic units in the polymer backbone have been shown to exhibit excellent optical properties as well as significantly lower refractive indices. This lowering in the refractive index, of course, is also reflected in a lower dielectric constant of the material. For this reason, we have initiated a study of new polyimides, in which the traditional aromatic character is diluted with cycloaliphatic structures. One such example is the polyimide derived from hexafluoroisopropylidene diphthalic anhydride (6FDA) and 1,4-diaminocyclohexane (DACH). Preliminary data with respect to the preparation and solution behavior of the polyimide precursor as well as the characterization of relevant physical properties of the final polyimide will be presented.

  9. 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....

  10. Lipin-2 reduces proinflammatory signaling induced by saturated fatty acids in macrophages.

    Science.gov (United States)

    Valdearcos, Martín; Esquinas, Esperanza; Meana, Clara; Peña, Lucía; Gil-de-Gómez, Luis; Balsinde, Jesús; Balboa, María A

    2012-03-30

    Lipin-2 is a member of the lipin family of enzymes, which are key effectors in the biosynthesis of lipids. Mutations in the human lipin-2 gene are associated with inflammatory-based disorders; however, the role of lipin-2 in cells of the immune system remains obscure. In this study, we have investigated the role of lipin-2 in the proinflammatory action of saturated fatty acids in murine and human macrophages. Depletion of lipin-2 promotes the increased expression of the proinflammatory genes Il6, Ccl2, and Tnfα, which depends on the overstimulation of the JNK1/c-Jun pathway by saturated fatty acids. In contrast, overexpression of lipin-2 reduces the release of proinflammatory factors. Metabolically, the absence of lipin-2 reduces the cellular content of triacylglycerol in saturated fatty acid-overloaded macrophages. Collectively, these studies demonstrate a protective role for lipin-2 in proinflammatory signaling mediated by saturated fatty acids that occurs concomitant with an enhanced cellular capacity for triacylglycerol synthesis. The data provide new insights into the role of lipin-2 in human and murine macrophage biology and may open new avenues for controlling the fatty acid-related low grade inflammation that constitutes the sine qua non of obesity and associated metabolic disorders.

  11. Aromatic compounds from three Brazilian Lauraceae species

    Energy Technology Data Exchange (ETDEWEB)

    Batista, Andrea Nastri de Luca; Batista Junior, Joao Marcos; Lopez, Silvia Noeli; Furlan, Maysa; Cavalheiro, Alberto Jose; Silva, Dulce Helena Siqueira; Bolzani, Vanderlan da Silva [UNESP, Araraquara, SP (Brazil). Inst. de Quimica. Dept. de Quimica Organica; Nunomura, Sergio Massayoshi [Instituto Nacional de Pesquisa da Amazonia (INPA), Manaus, AM (Brazil). Dept. de Produtos Naturais; Yoshida, Massayoshi [Centro de Biotecnologia da Amazonia, Manaus, AM (Brazil)

    2010-07-01

    Phytochemical investigations on three Brazilian Lauraceae species from the Cerrado region of Sao Paulo State, Ocotea corymbosa (Meins) Mez., O. elegans Mez. and Persea pyrifolia Nees and Mart. ex Nees resulted in the isolation of flavonoids, an ester of the 4-O-E-caffeoylquinic acid, an aromatic sesquiterpene besides furofuran lignans. This is the first chemical study on the leaves of Ocotea elegans and O. corymbosa as well as the first report of non-volatile compounds from Persea pyrifolia. (author)

  12. Allylation of Aromatic Aldehyde under Microwave Irradiation

    Institute of Scientific and Technical Information of China (English)

    ZHANG,Yu-Mei; JIA,Xue-Feng; WANG,Jin-Xian

    2004-01-01

    @@ Allylation of carbonyl compounds is one of the most interesting processes for the preparation of homoallylic alcohols. Over the past few decades, many reagents have been developed for such reactions[1~3]. In this paper, we first report allylic zinc reagent 1, which can be prepared from zinc dust and allyl bromide conveniently in THF, and reacted with aromatic aldehyde to give homo-allylic alcohols under microwave irradiation.

  13. 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.

  14. Novel Application of Cyclolipopeptide Amphisin: Feasibility Study as Additive to Remediate Polycyclic Aromatic Hydrocarbon (PAH Contaminated Sediments

    Directory of Open Access Journals (Sweden)

    Anne Groboillot

    2011-03-01

    Full Text Available To decontaminate dredged harbor sediments by bioremediation or electromigration processes, adding biosurfactants could enhance the bioavailability or mobility of contaminants in an aqueous phase. Pure amphisin from Pseudomonas fluorescens DSS73 displays increased effectiveness in releasing polycyclic aromatic hydrocarbons (PAHs strongly adsorbed to sediments when compared to a synthetic anionic surfactant. Amphisin production by the bacteria in the natural environment was also considered. DSS73’s growth is weakened by three model PAHs above saturation, but amphisin is still produced. Estuarine water feeding the dredged material disposal site of a Norman harbor (France allows both P. fluorescens DSS73 growth and amphisin production.

  15. 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 intrinsic......-loop control system is analyzed using input-output stability tools. Thus, conditions guaranteeing l2-tracking performances are formally defined. Interestingly, the proposed controller is shown to ensure perfect output-reference tracking in presence of varying with l2-vanishing rate inputs. On the other hand......, in the case of arbitrary inputs, the proposed controller guarantees that the less changing the inputs are the better the output-reference tracking....

  16. Nitrogen Saturation in Highly Retentive Watersheds?

    Science.gov (United States)

    Daley, M. L.; McDowell, W. H.

    2009-12-01

    Watershed managers are often concerned with minimizing the amount of N delivered to N-limited estuaries and coastal zones. A major concern is that watersheds might reach N saturation, in which N delivered to coastal zones increases due to declines in the efficiency of N retention despite constant or even reduced N inputs. We have quantified long-term changes in N inputs (atmospheric deposition, imported food and agricultural fertilizers), outputs (N concentration and export) and retention in the urbanizing Lamprey River watershed in coastal NH. Overall, the Lamprey watershed is 70% forested, receives about 13.5 kg N/ha/yr and has a high rate of annual N retention (85%). Atmospheric deposition (8.7 kg/ha/yr) is the largest N input to the watershed. Of the 2.2 kg N/ha/yr exported in the Lamprey River, dissolved organic N (DON) is the dominant form (50% of total) and it varies spatially throughout the watershed with wetland cover. Nitrate accounts for 30% of the N exported, shows a statistically significant increase from 1999 to 2009, and its spatial variability in both concentration and export is related to human population density. In sub-basins throughout the Lamprey, inorganic N retention is high (85-99%), but the efficiency of N retention declines sharply with increased human population density and associated anthropogenic N inputs. N assimilation in the vegetation, denitrification to the atmosphere and storage in the groundwater pool could all be important contributors to the current high rates of N retention. The temporal and spatial patterns that we have observed in nitrate concentration and export are driven by increases in N inputs and impervious surfaces over time, but the declining efficiency of N retention suggests that the watershed may also be reaching N saturation. The downstream receiving estuary, Great Bay, already suffers from low dissolved oxygen levels and eelgrass loss in part due to N loading from the Lamprey watershed. Targeting and reducing

  17. Saturation model for squirrel-cage induction motors

    Energy Technology Data Exchange (ETDEWEB)

    Pedra, J. [Department of Electrical Engineering, ETSEIB-UPC, Av. Diagonal 647, 08028 Barcelona (Spain); Candela, I. [Department of Electrical Engineering, ETSEIT-UPC, Colom 1, 08222 Terrassa (Spain); Barrera, A. [Asea Brown Boveri, S.A. Fabrica de Motores, Poligono Industrial S.O., 08192 Sant Quirze del Valles, Barcelona (Spain)

    2009-07-15

    An induction motor model which includes stator leakage reactance saturation, rotor leakage reactance saturation and magnetizing reactance saturation is presented. This improved model is based on experimental data from 96 motors. The power range of the motors is between 11 and 90 kW. The effects on the torque-speed and current-speed curves of each kind of saturation have been studied. In addition, the parameters of magnetizing reactance saturation and stator leakage reactance saturation have been studied for each motor, and an average value and its dispersion for each parameter are given. This model is considerably more accurate than other models. In particular, it explains the significant differences between theoretical and experimental torque-speed curves in the braking regime (s > 1). (author)

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

    Science.gov (United States)

    Alderliesten, Thomas; De Vis, Jill B; Lemmers, Petra Ma; Hendrikse, Jeroen; Groenendaal, Floris; van Bel, Frank; Benders, Manon Jnl; Petersen, Esben T

    2017-03-01

    Although near-infrared spectroscopy is increasingly being used to monitor cerebral oxygenation in neonates, it has a limited penetration depth. The T2-prepared Blood Imaging of Oxygen Saturation (T2-BIOS) magnetic resonance sequence provides an oxygen saturation estimate on a voxel-by-voxel basis, without needing a respiratory calibration experiment. In 15 neonates, oxygen saturation measured by T2-prepared blood imaging of oxygen saturation and near-infrared spectroscopy were compared. In addition, these measures were compared to cerebral blood flow and venous oxygen saturation in the sagittal 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 infrared spectroscopy oxygen saturation, 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 infrared spectroscopy and T2-prepared blood imaging of oxygen saturation, confirming the validity of using of these techniques for determining cerebral oxygenation.

  19. Sandia OpenSHMEM

    Energy Technology Data Exchange (ETDEWEB)

    2016-03-15

    Sandia OpenSHMEM is an implementation of the OpenSHMEM Standard over the Portals 4 Networking API and the OpenFabrics Interface (OFI). Sandia OpenSHMEM is designed to be a low-overhead implementation of the OpenSHMEM standard which takes advantage of the many features of the Portals 4 specification.

  20. Open access, open education resources and open data in Uganda.

    Science.gov (United States)

    Salvo, Ivana Di; Mwoka, Meggie; Kwaga, Teddy; Rukundo, Priscilla Aceng; Ernest, Dennis Ssesanga; Osaheni, Louis Aikoriogie; John, Kasibante; Shafik, Kasirye; de Sousa, Agostinho Moreira

    2015-01-01

    As a follow up to OpenCon 2014, International Federation of Medical Students' Associations (IFMSA) students organized a 3 day workshop Open Access, Open Education Resources and Open Data in Kampala from 15-18 December 2014. One of the aims of the workshop was to engage the Open Access movement in Uganda which encompasses the scientific community, librarians, academia, researchers and students. The IFMSA students held the workshop with the support of: Consortium for Uganda University Libraries (CUUL), The Right to Research Coalition, Electronic Information for Libraries (EIFL), Makerere University, International Health Sciences University (IHSU), Pan African Medical Journal (PAMJ) and the Centre for Health Human Rights and Development (CEHURD). All these organizations are based or have offices in Kampala. The event culminated in a meeting with the Science and Technology Committee of Parliament of Uganda in order to receive the support of the Ugandan Members of Parliament and to make a concrete change for Open Access in the country.

  1. Coherent population oscillation produced by saturating probe and pump fields on the intercombination Line

    CERN Document Server

    Vafafard, A; Agarwal, G S

    2016-01-01

    We present a theoretical study of the experiments on coherent population oscillations and coher- ent population trapping on the intercombination line of 174Y b. The transition involves a change of the spin and thus can not be interpreted in terms of an effective Lambda system. The reported experiments are done in the regime where both pump and probe fields can saturate the transition. We demonstrate by both numerical and analytical calculations the appearance of the interference minimum as both pump and probe start saturating the transition. We present an analytical result for the threshold probe power when the interference minimum can appear. We also present de- tailed study of the appearance of the interference minimum when magnetic fields are applied. The magnetic fields not only create Zeeman splittings but in addition make the system open because of the couplings to other levels. We show the possibility of interference minimum at the position of subharmonic resonances.

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

    Energy Technology Data Exchange (ETDEWEB)

    Kartashov, Yaroslav V [ICFO-Institut de Ciencies Fotoniques, and Department of Signal Theory and Communications, Universitat Politecnica de Catalunya, E-08034 Barcelona (Spain); Egorov, Alexey A [Physics Department, M V Lomonosov Moscow State University, 119899, Moscow (Russian Federation); Vysloukh, Victor A [Departamento de Fisica y Matematicas, Universidad de las Americas-Puebla, Santa Catarina Martir, 72820, Puebla, Cholula (Mexico); Torner, Lluis [ICFO-Institut de Ciencies Fotoniques, and Department of Signal Theory and Communications, Universitat Politecnica de Catalunya, E-08034 Barcelona (Spain)

    2004-05-01

    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.

  3. The Design of Reactions, Catalysts and Materials with Aromatic Ions

    Science.gov (United States)

    Bandar, Jeffrey Scott

    This thesis details the use of aromatic ions, especially aminocyclopropenium ions, as empowering design elements in the development of new chemical reactions, organic catalysts and polymeric materials. A particular focus is placed throughout on understanding the relationship between the structure of aromatic ions and their performance in these novel applications. Additionally, the benefits that aromatic ions provide in these contexts are highlighted. The first chapter briefly summarizes the Lambert Group's prior efforts toward exploiting the unique reactivity profiles of aromatic ions in the context of new reaction design. Also provided in the first chapter is a comprehensive literature review of aminocyclopropenium ions, upon which the majority of advances described in this thesis are based. To set the stage for the first application of aminocyclopropenium ions, Chapter 2 provides an account of existing highly Bronsted basic functional groups, including guanidines, proazaphosphatranes and iminophosphoranes. The provided review on the synthesis and use in asymmetric catalysis of these bases indicates that there is a high need for conceptually new Bronsted basic functional groups. To address this need, the development of chiral 2,3-bis(dialkylamino)cyclopropenimines as a new platform for asymmetric Bronsted base catalysis is described in Chapter 3. This new class of Bronsted base is readily synthesized on scale, operates efficiently under practical conditions, and greatly outperforms closely related guanidine-based catalysts. Structure-activity relationship studies, mechanistic experiments and computational transition state modeling are all discussed in the context of asymmetric glycinate imine Michael reactions in order to arrive at a working model for cyclopropenimine chemistry. Cumulatively, this chapter provides a "user's guide" to understanding and developing further applications of 2,3-bis(dialkylamino)cyclopropenimines. The use of our optimal chiral 2,3-bis

  4. Magnetic Field Saturation in the Riga Dynamo Experiment

    CERN Document Server

    Gailitis, A; Platacis, E; Dementev, S; Cifersons, A; Gerbeth, G; Gundrum, T; Stefani, F; Christen, M; Will, G; Gailitis, Agris; Lielausis, Olgerts; Platacis, Ernests; Dement'ev, Sergej; Cifersons, Arnis; Gerbeth, Gunter; Gundrum, Thomas; Stefani, Frank; Christen, Michael; Will, Gotthard

    2001-01-01

    After the dynamo experiment in November 1999 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.

  5. Cyclic Shearing Deformation Behavior of Saturated Clays

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    The apparatus for static and dynamic universal triaxial and torsional shear soil testing is employed to perform stress-controlled cyclic single-direction torsional shear tests and two-direction coupled shear tests under unconsolidated-undrained conditions. Through a series of tests on saturated clay, the effects of initial shear stress and stress reversal on the clay's strain-stress behavior are examined, and the behavior of pore water pressure is studied. The experimental results indicate that the patterns of stress-strain relations are distinctly influenced by the initial shear stress in the cyclic single-direction shear tests. When the initial shear stress is large and no stress reversal occurs, the predominant deformation behavior is characterized by an accumulative effect. When the initial shear stress is zero and symmetrical cyclic stress occurs, the predominant deformation behavior is characterized by a cyclic effect. The pore water pressure fluctuates around the confining pressure with the increase of cycle number. It seems that the fluctuating amplitude increases with the increase of the cyclic stress. But a buildup of pore water pressure does not occur. The deformations of clay samples under the complex initial and the cyclic coupled stress conditions include the normal deviatoric deformation and horizontal shear deformation, the average deformation and cyclic deformation. A general strain failure criterion taking into account these deformations is recommended and is proved more stable and suitable compared to the strain failure criteria currently used.

  6. DYNAMIC EFFECTIVE SHEAR STRENGTH OF SATURATED SAND

    Institute of Scientific and Technical Information of China (English)

    邵生俊; 谢定义

    2002-01-01

    The dynamic effective shear strength of saturated sand under cyclic loading is discussed in this paper. The discussion includes the transient time dependency behaviors based on the analysis of the results obtained in conventional cyclic triaxial tests and cyclic torsional shear triaxial tests. It has been found that the dynamic effective shear strength is composed of effective frictional resistance and viscous resistance, which are characterized by the strain rate dependent feature of strength magnitude, the coupling of consolidation stress with cyclic stress and the dependency of time needed to make the soil strength suffciently mobilized, and can also be expressed by the extended Mohr-Coulomb's law. The two strength parameters of the dynamic effective internal frictional angle φd and the dynamic viscosity coefficient η are determined. The former is unvaried for different number of cyclic loading, dynamic stress form and consolidation stress ratio. And the later is unvaried for the different dynamic shear strain rate γt developed during the sand liquefaction, but increases with the increase of initial density of sand. The generalization of dynamic effective stress strength criterion in the 3-dimensional effective stress space is studied in detail for the purpose of its practical use.

  7. Partly saturated polyacene structures: a theoretical study.

    Science.gov (United States)

    El Khatib, Muammar; Evangelisti, Stefano; Leininger, Thierry; Bendazzoli, Gian Luigi

    2014-07-01

    Planar molecular edifices obtained by joining polyacene fragments (polyacene stripes) are investigated at tight-binding (i.e., with a Hückel Hamiltonian) and ab initio level. For this kind of system, it is known that the presence of 60-degree angles between two stripes of the polyacene molecular skeleton induces the formation of singly occupied molecular orbitals, whose combination gives rise to quasi-degenerate electronic states. In particular, two types of convex polygons having a unique side length (rhombuses and triangles) are considered in this work. It is shown that the saturation via hydrogen atoms of the apical carbons located on outer borders of the 60-degree angles increases the number of quasi-degenerate orbitals, and hence the maximal multiplicity of the low-lying states of the system. Our tight-binding and ab initio (CAS-CI, NEVPT2) calculations indicate that the spin multiplicity of these molecular structures is in systematical accord with the Ovchinnikov rule.

  8. SATURATED ZONE FLOW AND TRANSPORT MODEL ABSTRACTION

    Energy Technology Data Exchange (ETDEWEB)

    B.W. ARNOLD

    2004-10-27

    The purpose of the saturated zone (SZ) flow and transport model abstraction task is to provide radionuclide-transport simulation results for use in the total system performance assessment (TSPA) for license application (LA) calculations. This task includes assessment of uncertainty in parameters that pertain to both groundwater flow and radionuclide transport in the models used for this purpose. This model report documents the following: (1) The SZ transport abstraction model, which consists of a set of radionuclide breakthrough curves at the accessible environment for use in the TSPA-LA simulations of radionuclide releases into the biosphere. These radionuclide breakthrough curves contain information on radionuclide-transport times through the SZ. (2) The SZ one-dimensional (I-D) transport model, which is incorporated in the TSPA-LA model to simulate the transport, decay, and ingrowth of radionuclide decay chains in the SZ. (3) The analysis of uncertainty in groundwater-flow and radionuclide-transport input parameters for the SZ transport abstraction model and the SZ 1-D transport model. (4) The analysis of the background concentration of alpha-emitting species in the groundwater of the SZ.

  9. Saturated fat, carbohydrates and cardiovascular disease.

    Science.gov (United States)

    Kuipers, R S; de Graaf, D J; Luxwolda, M F; Muskiet, M H A; Dijck-Brouwer, D A J; Muskiet, F A J

    2011-09-01

    The dietary intake of saturated fatty acids (SAFA) is associated with a modest increase in serum total cholesterol, but not with cardiovascular disease (CVD). Replacing dietary SAFA with carbohydrates (CHO), notably those with a high glycaemic index, is associated with an increase in CVD risk in observational cohorts, while replacing SAFA with polyunsaturated fatty acids (PUFA) is associated with reduced CVD risk. However, replacing a combination of SAFA and trans-fatty acids with n-6 PUFA (notably linoleic acid) in controlled trials showed no indication of benefit and a signal toward increased coronary heart disease risk, suggesting that n-3 PUFA may be responsible for the protective association between total PUFA and CVD. High CHO intakes stimulate hepatic SAFA synthesis and conservation of dietary SAFA . Hepatic de novo lipogenesis from CHO is also stimulated during eucaloric dietary substitution of SAFA by CHO with high glycaemic index in normo-insulinaemic subjects and during hypocaloric high-CHO/low-fat diets in subjects with the metabolic syndrome. The accumulation of SAFA stimulates chronic systemic low-grade inflammation through its mimicking of bacterial lipopolysaccharides and÷or the induction of other pro-inflammatory stimuli. The resulting systemic low-grade inflammation promotes insulin resistance, reallocation of energy-rich substrates and atherogenic dyslipidaemia that concertedly give rise to increased CVD risk. We conclude that avoidance of SAFA accumulation by reducing the intake of CHO with high glycaemic index is more effective in the prevention of CVD than reducing SAFA intake per se.

  10. Dispersion-corrected density functional theory for aromatic interactions in complex systems.

    Science.gov (United States)

    Ehrlich, Stephan; Moellmann, Jonas; Grimme, Stefan

    2013-04-16

    Aromatic interactions play a key role in many chemical and biological systems. However, even if very simple models are chosen, the systems of interest are often too large to be handled with standard wave function theory (WFT). Although density functional theory (DFT) can easily treat systems of more than 200 atoms, standard semilocal (hybrid) density functional approximations fail to describe the London dispersion energy, a factor that is essential for accurate predictions of inter- and intramolecular noncovalent interactions. Therefore dispersion-corrected DFT provides a unique tool for the investigation and analysis of a wide range of complex aromatic systems. In this Account, we start with an analysis of the noncovalent interactions in simple model dimers of hexafluorobenzene (HFB) and benzene, with a focus on electrostatic and dispersion interactions. The minima for the parallel-displaced dimers of HFB/HFB and HFB/benzene can only be explained when taking into account all contributions to the interaction energy and not by electrostatics alone. By comparison of saturated and aromatic model complexes, we show that increased dispersion coefficients for sp(2)-hybridized carbon atoms play a major role in aromatic stacking. Modern dispersion-corrected DFT yields accurate results (about 5-10% error for the dimerization energy) for the relatively large porphyrin and coronene dimers, systems for which WFT can provide accurate reference data only with huge computational effort. In this example, it is also demonstrated that new nonlocal, density-dependent dispersion corrections and atom pairwise schemes mutually agree with each other. The dispersion energy is also important for the complex inter- and intramolecular interactions that arise in the molecular crystals of aromatic molecules. In studies of hexahelicene, dispersion-corrected DFT yields "the right answer for the right reason". By comparison, standard DFT calculations reproduce intramolecular distances quite

  11. Heat Saturation Time of Solid Spherical Regenerator of HTAC

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    In order to control the heat saturation time, the temperature field of the regenerators of high temperature air combustion (HTAC) technology after reheating furnace was studied. A one-dimensional unsteady mathematical model was established and discretized through finite difference method. The relationship between the heat saturation time and some factors was determined through the calculation of a program developed by language C. The heat saturation time decreases with the increase of heat convection coefficient, however, the increase of heat capacity,density and radius of regenerator all increase the heat saturation time approximately linearly.

  12. Open heart surgery

    Science.gov (United States)

    Heart surgery - open ... lung machine is used in most cases during open heart surgery. While the surgeon works on the ... with these procedures, the surgeon may have to open the chest to do the surgery.

  13. Spectrometric study of α-methylene aromatic araminenone and aminoketone

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Thirteen α-methylene aromatic araminenone and four α-methylene aromatic aminoketones were prepared by modified Mannich reaction. On the basis of isotopic labeling, a plausible way of cleavage was proposed for the formation of the M+- 17 fragment peak in the MS of the α-methylene aromatic araminenone and aminoketones. The characteristic chemical shift of the olefinic protons in 1H NMR is also discussed.

  14. Monobromination of Activated Aromatic Compounds withPolyvinylbenzyltriphenylphosphonium Supported Tribromide

    Institute of Scientific and Technical Information of China (English)

    WU Ming-Hu; YANG Gui-Chun; CHEN Zu-Xing

    2001-01-01

    Chloromethylated crosslinked co-polyvinylbenzene-divinylber-zene (2% DVB) was treated with triphenylphospbhie and then with sodium bromate and hydrobromic acid to afford red col-ored insoluble polyvinylbenzyltriphenylphosphon supportedtribromide.This reagent could be used as a mild and efficient monobrominating reagent for activated aromatic compounds such as phenols,aromatic,aromatic amines and acety-lanilines with good yields and high para-selectivity.

  15. Apraxia of lid opening

    Directory of Open Access Journals (Sweden)

    Jebasingh Y

    2006-01-01

    Full Text Available Apraxia of lid opening is a condition where patients do not have ptosis but have difficulty in overcoming levator palpebrae inhibition. We report a patient who presented with difficulty in opening eyelids with out diurnal variation, ptosis or blepharospasm. The diagnosis of Apraxia of lid opening is confirmed by electro physiology. The possibility of apraxia of lid opening should be considered in patients who present with difficulty in opening eyes. Various causes of Apraxia of lid opening are discussed.

  16. Phenylnaphthalenes: sublimation equilibrium, conjugation, and aromatic interactions.

    Science.gov (United States)

    Lima, Carlos F R A C; Rocha, Marisa A A; Schröder, Bernd; Gomes, Lígia R; Low, John N; Santos, Luís M N B F

    2012-03-22

    In this work, the interplay between structure and energetics in some representative phenylnaphthalenes is discussed from an experimental and theoretical perspective. For the compounds studied, the standard molar enthalpies, entropies and Gibbs energies of sublimation, at T = 298.15 K, were determined by the measurement of the vapor pressures as a function of T, using a Knudsen/quartz crystal effusion apparatus. The standard molar enthalpies of formation in the crystalline state were determined by static bomb combustion calorimetry. From these results, the standard molar enthalpies of formation in the gaseous phase were derived and, altogether with computational chemistry at the B3LYP/6-311++G(d,p) and MP2/cc-pVDZ levels of theory, used to deduce the relative molecular stabilities in various phenylnaphthalenes. X-ray crystallographic structures were obtained for some selected compounds in order to provide structural insights, and relate them to energetics. The thermodynamic quantities for sublimation suggest that molecular symmetry and torsional freedom are major factors affecting entropic differentiation in these molecules, and that cohesive forces are significantly influenced by molecular surface area. The global results obtained support the lack of significant conjugation between aromatic moieties in the α position of naphthalene but indicate the existence of significant electron delocalization when the aromatic groups are in the β position. Evidence for the existence of a quasi T-shaped intramolecular aromatic interaction between the two outer phenyl rings in 1,8-di([1,1'-biphenyl]-4-yl)naphthalene was found, and the enthalpy of this interaction quantified on pure experimental grounds as -(11.9 ± 4.8) kJ·mol(-1), in excellent agreement with the literature CCSD(T) theoretical results for the benzene dimer.

  17. Aromatic plant production on metal contaminated soils

    Energy Technology Data Exchange (ETDEWEB)

    Zheljazkov, Valtcho D. [Mississippi State, Department of Plant and Soil Sciences and North Mississippi Research and Extension Center, 5421 Highway 145 South, Verona, MS 38879 (United States)], E-mail: vj40@pss.msstate.edu; Craker, Lyle E.; Xing Baoshan [Department of Plant and Soil Sciences, 12 Stockbridge Hall, University of Massachusetts, Amherst, MA 01003 (United States); Nielsen, Niels E. [Plant Nutrition and Soil Fertility Lab, Department of Agricultural Sciences, Royal Veterinary and Agricultural University, Thorvaldsensvej 40, DK1871, Copenhagen (Denmark); Wilcox, Andrew [Harper Adams University College, Newport, Shropshire, TF10 8NB (United Kingdom)

    2008-06-01

    Field and container experiments were conducted to assess the feasibility of growing aromatic crops in metal contaminated areas and the effect of metals on herbage and oil productivity. The field experiments were conducted in the vicinities of the Non-Ferrous Metals Combine (Zn-Cu smelter) near Plovdiv, Bulgaria using coriander, sage, dill, basil, hyssop, lemon balm, and chamomile grown at various distances from the smelter. Herbage essential oil yields of basil, chamomile, dill, and sage were reduced when they were grown closer to the smelter. Metal removal from the site with the harvestable plant parts was as high as 180 g ha{sup -1} for Cd, 660 g ha{sup -1} for Pb, 180 g ha{sup -1} for Cu, 350 g ha{sup -1} for Mn, and 205 g ha{sup -1} for Zn. Sequential extraction of soil demonstrated that metal fractionation was affected by the distance to the smelter. With decreasing distance to the smelter, the transfer factor (TF) for Cu and Zn decreased but increased for Cd, while the bioavailability factor (BF) for Cd, Pb, Cu, Mn, and Zn decreased. Scanning electron microscopy and X-ray microanalyses of contaminated soil verified that most of the Pb, Cd, Mn, Cu, and Zn were in the form of small (< 1 {mu}m) particles, although there were larger particles (1-5 {mu}m) with high concentrations of individual metals. This study demonstrated that high concentrations of heavy metals in soil or growth medium did not result in metal transfer into the essential oil. Of the tested metals, only Cu at high concentrations may reduce oil content. Our results demonstrated that aromatic crops may not have significant phytoremediation potential, but growth of these crops in metal contaminated agricultural soils is a feasible alternative. Aromatic crops can provide economic return and metal-free final product, the essential oil.

  18. The phn Genes of Burkholderia sp. Strain RP007 Constitute a Divergent Gene Cluster for Polycyclic Aromatic Hydrocarbon Catabolism

    OpenAIRE

    1999-01-01

    Cloning and molecular ecological studies have underestimated the diversity of polycyclic aromatic hydrocarbon (PAH) catabolic genes by emphasizing classical nah-like (nah, ndo, pah, and dox) sequences. Here we report the description of a divergent set of PAH catabolic genes, the phn genes, which although isofunctional to the classical nah-like genes, show very low homology. This phn locus, which contains nine open reading frames (ORFs), was isolated on an 11.5-kb HindIII fragment from phenant...

  19. Void fraction prediction in saturated flow boiling

    Energy Technology Data Exchange (ETDEWEB)

    Francisco J Collado [Dpto de Ingenieria Mecanica-Motores Termicos, CPS-B, Universidad de Zaragoza, Maria de Luna 50018-Zaragoza (Spain)

    2005-07-01

    Full text of publication follows: An essential element in thermal-hydraulics is the accurate prediction of the vapor void fraction, or fraction of the flow cross-sectional area occupied by steam. Recently, the author has suggested to calculate void fraction working exclusively with thermodynamic properties. It is well known that the usual 'flow' quality, merely a mass flow rate ratio, is not at all a thermodynamic property because its expression in function of thermodynamic properties includes the slip ratio, which is a parameter of the process not a function of state. By the other hand, in the classic and well known expression of the void fraction - in function of the true mass fraction of vapor (also called 'static' quality), and the vapor and liquid densities - does not appear the slip ratio. Of course, this would suggest a direct procedure for calculating the void fraction, provided we had an accurate value of the true mass fraction of vapor, clearly from the heat balance. However the classic heat balance is usually stated in function of the 'flow' quality, what sounds really contradictory because this parameter, as we have noted above, is not at all a thermodynamic property. Then we should check against real data the actual relationship between the thermodynamic properties and the applied heat. For saturated flow boiling just from the inlet of the heated tube, and not having into account the kinetic and potential terms, the uniform applied heat per unit mass of inlet water and per unit length (in short, specific linear heat) should be closely related to a (constant) slope of the mixture enthalpy. In this work, we have checked the relation between the specific linear heat and the thermodynamic enthalpy of the liquid-vapor mixture using the actual mass fraction. This true mass fraction is calculated using the accurate measurements of the outlet void fraction taken during the Cambridge project by Knights and Thom in the sixties for

  20. Modifications of Oxygen Saturation During Transesophageal Echocardiography.

    Science.gov (United States)

    Macor, Franco; Zottarel, Gabriella; Antonini-Canterin, Francesco; Mimo, Renata; Pavan, Daniela; Cervesato, Eugenio; Nicolosi, Gianluigi; Zanuttini, Domenico

    1997-05-01

    The present study was designed: (1) to establish the effects of transesophageal echocardiography (TEE) on arterial oxygen saturation (SAO(2)%); (2) to verify the possible clinical consequences of this phenomenon; and (3) to study the possibility of predicting modifications of SAO(2)% by clinical or hemodynamic variables or by specific factors related to the TEE procedure. We prospectively studied 116 unselected patients, aged 61 +/- 12 years, who underwent diagnostic TEE for various clinical indications. Thirty-seven patients had mitral valve disease, 19 aortic valve disease, 14 combined mitroaortic disease, 8 congenital heart disease, and 38 other cardiovascular diseases. Eight patients were affected by chronic obstructive pulmonary disease. Ninety-seven patients were sedated by 4 +/- 2 mg of diazepam IV SAO(2)% (5-min average) (Ohmeda Biox 3700 pulse oxymeter finger probe), heart rate (HR), and blood pressure (BP) were considered during baseline transthoracic examination, after pharmacological sedation but before the introduction of the probe, and finally during TEE. Neither clinical complications nor major arrhythmias were observed. Baseline SAO(2)%, HR and BP were, respectively, 93.6 +/- 3.3%, 76 +/- 14 beats/min, and 129 +/- 20/75 +/- 10 mmHg. Pharmacological sedation did not modify SAO(2)%, HR, and BP (P > 0.1). During TEE a small but significant reduction in SAO(2)% by an average of 1.2 +/- 3.2% was observed (P 0.1 for both systolic and diastolic). The changes of SAO(2)% and HR were not interrelated and were not related to the duration of the procedure and to any of the clinical and hemodynamic variables taken into consideration. TEE can induce a small but significant drop in SAO(2)% and a small increase in HR even without any clinical relevance. No clinical or hemodynamic variable or specific factors related to the TEE procedure were related to these changes.

  1. Metabolism of aromatic compounds by Caulobacter crescentus

    Energy Technology Data Exchange (ETDEWEB)

    Chatterjee, D.K.; Bourquin, A.W.

    1987-05-01

    Cultures of Caulobacter crescentus were found to grow on a variety of aromatic compounds. Degradation of benzoate, p-hydroxybenzoate, and phenol was found to occur via ..beta..-ketoadipate. The induction of degradative enzymes such as benzoate 1,2-dioxygenase, the ring cleavage enzyme catechol 1,2-dioxygenase, and cis,cis-muconate lactonizing enzyme appeared similar to the control mechanism present in Pseudomonas spp. Both benzoate 1,2-dioxygenase and catechol 1,2-dioxygenase had stringent specificities, as revealed by their action toward substituted benzoates and substituted catechols, respectively.

  2. Aromatics oxidation and soot formation in flames

    Energy Technology Data Exchange (ETDEWEB)

    Howard, J.B.; Pope, C.J.; Shandross, R.A.; Yadav, T. [Massachusetts Institute of Technology, Cambridge (United States)

    1993-12-01

    This project is concerned with the kinetics and mechanisms of aromatics oxidation and soot and fullerenes formation in flames. The scope includes detailed measurements of profiles of stable and radical species concentrations in low-pressure one-dimensional premixed flames. Intermediate species identifications and mole fractions, fluxes, and net reaction rates calculated from the measured profiles are used to test postulated reaction mechanisms. Particular objectives are to identify and to determine or confirm rate constants for the main benzene oxidation reactions in flames, and to characterize fullerenes and their formation mechanisms and kinetics.

  3. Photoinduced dynamics in protonated aromatic amino acid

    CERN Document Server

    Grégoire, Gilles; Barat, Michel; Fayeton, Jacqueline; Dedonder-Lardeux, Claude; Jouvet, Christophe

    2008-01-01

    UV photoinduced fragmentation of protonated aromatics amino acids have emerged the last few years, coming from a situation where nothing was known to what we think a good understanding of the optical properties. We will mainly focus this review on the tryptophan case. Three groups have mostly done spectroscopic studies and one has mainly been involved in dynamics studies of the excited states in the femtosecond/picosecond range and also in the fragmentation kinetics from nanosecond to millisecond. All these data, along with high level ab initio calculations, have shed light on the role of the different electronic states of the protonated molecules upon the fragmentation mechanisms.

  4. Fugacity analysis of polycyclic aromatic hydrocarbons between microplastics and seawater

    Science.gov (United States)

    Lee, Hwang; Chang, Sein; Kim, Seung-Kyu; Kwon, Jung-Hwan

    2017-01-01

    Recently, the accumulation of plastic debris in the marine environment has become a great concern worldwide. Although plastics are biologically and chemically inert, plastic debris has been suspected of causing adverse effects on ecosystems due to the increase in reactivity by size reduction and/or micropollutants associated with plastics. Because of the high sorption capacity of microplastics toward organic micropollutants, it is suspected that microplastics may play roles in the distribution and fate of micropollutants. In order to quantitatively evaluate the "net flow" of environmental contaminants in water-plastic-organism systems, a fugacity analysis was conducted using concentrations of polycyclic aromatic hydrocarbons (PAHs) in open oceans and in polyethylene as a representative material of plastic debris. Ratio of fugacity in polyethylene to that in seawater showed a decreasing trend with increasing partition coefficient between polyethylene and seawater (KPE/sw). This indicates that phase equilibrium between polyethylene and seawater is not attained for higher molecular weight PAHs. Disequilibrium of high molecular weight PAHs suggests that transfer from seawater to plastic debris is thermodynamically driven and the role of plastic debris as a vector to transfer them to living organisms would be minimal. However, additives may slowly migrate from plastics into the environment causing potentially serious effects on ecosystems.

  5. Sulfur tolerant zeolite supported platinum catalysts for aromatics hydrogenation

    Energy Technology Data Exchange (ETDEWEB)

    Bergem, Haakon

    1997-12-31

    The increased demand for transportation fuels at the expence of heavier fuel oil has forced the refinery industry to expand their conversion capacity with hydrotreating as one of the key processes. A shift towards more diesel powered vehicles along with tightening fuel regulations demanding cleaner fuels has lead to increasing interest in catalytic processes for the manufacturing of such environmentally acceptable fuels. This provides the motivation for this thesis. Its main objective was to study possible catalysts active for desulfurization, hydrogenation, and ring-opening of aromatics all in the presence of sulfur. A close examination of the physical properties and kinetical behaviour of the chosen catalysts has been performed. A high pressure reactor setup was designed and built for activity measurements. Zeolite supported platinum catalysts were prepared and both the metal and acid functions were characterized utilizing various experimental techniques. Hydrogenation of toluene was used as a model reaction and the effect of sulfur adsorption on the activity and kinetic behaviour of the catalysts was investigated. The catalyst samples showed hydrogenation activities comparable to a commercial Pt/Al2O3 catalyst. There were no clear differences in the effect of the various sulfur compounds studied. Platinum supported on zeolite Y gave considerably more sulfur tolerant catalysts compared to Al2O3 as support. 155 refs., 58 figs., 36 tabs.

  6. Fugacity analysis of polycyclic aromatic hydrocarbons between microplastics and seawater

    Science.gov (United States)

    Lee, Hwang; Chang, Sein; Kim, Seung-Kyu; Kwon, Jung-Hwan

    2017-03-01

    Recently, the accumulation of plastic debris in the marine environment has become a great concern worldwide. Although plastics are biologically and chemically inert, plastic debris has been suspected of causing adverse effects on ecosystems due to the increase in reactivity by size reduction and/or micropollutants associated with plastics. Because of the high sorption capacity of microplastics toward organic micropollutants, it is suspected that microplastics may play roles in the distribution and fate of micropollutants. In order to quantitatively evaluate the "net flow" of environmental contaminants in water-plastic-organism systems, a fugacity analysis was conducted using concentrations of polycyclic aromatic hydrocarbons (PAHs) in open oceans and in polyethylene as a representative material of plastic debris. Ratio of fugacity in polyethylene to that in seawater showed a decreasing trend with increasing partition coefficient between polyethylene and seawater (KPE/sw). This indicates that phase equilibrium between polyethylene and seawater is not attained for higher molecular weight PAHs. Disequilibrium of high molecular weight PAHs suggests that transfer from seawater to plastic debris is thermodynamically driven and the role of plastic debris as a vector to transfer them to living organisms would be minimal. However, additives may slowly migrate from plastics into the environment causing potentially serious effects on ecosystems.

  7. Selection of ionic liquids for the extraction of aromatic hydrocarbons from aromatic/aliphatic mixtures

    NARCIS (Netherlands)

    Meindersma, G. Wytze; Podt, Anita (J.G.); Haan, de André B.

    2005-01-01

    The separation of aromatic hydrocarbons (benzene, toluene, ethyl benzene and xylenes) from C4 to C10 aliphatic hydrocarbon mixtures is challenging since these hydrocarbons have boiling points in a close range and several combinations form azeotropes. In this work, we investigated the separation of t

  8. [Recent advances in Sphingobium sp. SYK-6 for lignin aromatic compounds degradation--a review].

    Science.gov (United States)

    Zhang, Xiaoyan; Peng, Xue; Masai, Eiji

    2014-08-01

    Lignin is complex heteropolymer produced from hydroxycinnamyl alcohols through radical coupling. In nature, white-rot fungi are assumed initially to attack native lignin and release lignin-derived-low-molecular-weight compounds, and soil bacteria play an importent role for completely degradation of these compounds. Study on the soil bacteria degrading lignin-derived-low-molecular-weight compounds will give way to understand how aromatic compounds recycle in nature, and to utilize lignin compounds as the renewable materials for valuable materials production. Sphingobium sp. SYK-6 that grows on lignin biphenyl (5,5'-dehydrodivanillate) had been isolated from pulp effluent in 1987. We have researched this bacterium more than 25 years, a serious aromatic metabolic pathway has been determined, and related genes have been isolated. As the complete genome sequence of SYK-6 has been opened to the public in 2012, the entire aromatic compounds degradation mechanisms become more clear. Main contents in our review cover: (1) genome information; (2) aryl metabolism; (3) biphenyl metabolism; (4) ferulate metabolism; (5) tetrahydrofolate-dependent O-demethylation system for lignin compound degrdation; (6) protocatechuate 4,5-cleavage pathway; (7) multiple pathways for 3-O-methylgallate metabolism.

  9. Phenotypic profiling and gene expression analyses for aromatic and volatile compounds in Chamoes (Cucumis melo).

    Science.gov (United States)

    Lee, Jeongyeo; Kim, Min Keun; Hwang, Seung Hwan; Kim, Jungeun; Ahn, Jong Moon; Min, Sung Ran; Park, Sang Un; Lim, Soon Sung; Kim, HyeRan

    2014-05-01

    Gotgam chamoe (GgC), a native oriental melon in Korea, is known to possess the aroma of a dried persimmon, an agronomic relevance for melon breeding program. The volatile compounds and the transcript levels of aromatic compound genes in cultivar (Ohbokggul chamoe [OC]) and GgC were profiled. A total of 62 volatile compounds were identified and quantified. Twenty-eight volatile compounds were specific to either the OC or the GgC. The amounts of volatile alcohol, saturated hydrocarbon, and unsaturated hydrocarbon compounds were 2.2, 2.7, and 1.1 times higher in OC, respectively. The amounts of ketone volatiles were 1.2 times higher in GgC, whereas the total amounts of esters were similar. In the shikimate pathway, transcriptional patterns with the fruit parts were different between the two chamoes for CmDAHPS, CmDHD/SDH, and CmEPSPS. The expression levels of all six genes investigated, especially CmCS, were highest in the peel of both chamoes compared to the other parts. The transcript levels of the aromatic amino acid biosynthesis genes demonstrate that phenylalanine and tyrosine are present more in edible parts of the chamoe, while tryptophan may be accumulated low in the chamoe. In addition, phenylalanine and tryptophan are synthesized more in GgC than the OC.

  10. 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.

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

    Science.gov (United States)

    Qi, Yi-Bin; Wang, Chen-Yu; Lv, Cheng-Yuan; Lun, Zeng-Min; Zheng, Cheng-Gang

    2017-01-01

    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(a)pyrene 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. PMID:28241412

  12. Computational fragment-based binding site identification by ligand competitive saturation.

    Directory of Open Access Journals (Sweden)

    Olgun Guvench

    2009-07-01

    Full Text Available Fragment-based drug discovery using NMR and x-ray crystallographic methods has proven utility but also non-trivial time, materials, and labor costs. Current computational fragment-based approaches circumvent these issues but suffer from limited representations of protein flexibility and solvation effects, leading to difficulties with rigorous ranking of fragment affinities. To overcome these limitations we describe an explicit solvent all-atom molecular dynamics methodology (SILCS: Site Identification by Ligand Competitive Saturation that uses small aliphatic and aromatic molecules plus water molecules to map the affinity pattern of a protein for hydrophobic groups, aromatic groups, hydrogen bond donors, and hydrogen bond acceptors. By simultaneously incorporating ligands representative of all these functionalities, the method is an in silico free energy-based competition assay that generates three-dimensional probability maps of fragment binding (FragMaps indicating favorable fragment:protein interactions. Applied to the two-fold symmetric oncoprotein BCL-6, the SILCS method yields two-fold symmetric FragMaps that recapitulate the crystallographic binding modes of the SMRT and BCOR peptides. These FragMaps account both for important sequence and structure differences in the C-terminal halves of the two peptides and also the high mobility of the BCL-6 His116 sidechain in the peptide-binding groove. Such SILCS FragMaps can be used to qualitatively inform the design of small-molecule inhibitors or as scoring grids for high-throughput in silico docking that incorporate both an atomic-level description of solvation and protein flexibility.

  13. 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....

  14. 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...

  15. 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...

  16. Polar spots and stellar spindown: Is dynamo saturation needed?

    NARCIS (Netherlands)

    Solanki, S. K.; Motamen, S.; Keppens, R.

    1997-01-01

    Dynamo saturation is often invoked when calculating the rotational evolution of cool stars. At rapid rotation rates a saturated dynamo reduces the angular momentum carried away by the stellar wind. This, in turn, may explain the high rotation rates present in the distribution of rotation periods in

  17. Polar spots and stellar spindown: is dynamo saturation needed?

    NARCIS (Netherlands)

    Solanki, S. K.; Motamen, S.; Keppens, R.

    1997-01-01

    Dynamo saturation is often invoked when calculating the rotational evolution of cool stars. At rapid rotation rates a saturated dynamo reduces the angular momentum carried away by the stellar wind. This, in turn, may explain the high rotation rates present in the distribution of rotation periods in

  18. Stability and stabilization of linear systems with saturating actuators

    CERN Document Server

    Tarbouriech, Sophie; Gomes da Silva Jr, João Manoel; Queinnec, Isabelle

    2011-01-01

    Gives the reader an in-depth understanding of the phenomena caused by the more-or-less ubiquitous problem of actuator saturation. Proposes methods and algorithms designed to avoid, manage or overcome the effects of actuator saturation. Uses a state-space approach to ensure local and global stability of the systems considered. Compilation of fifteen years' worth of research results.

  19. DETERGENCY OF THE 12 TO 18 CARBON SATURATED FATTY ACIDS

    Science.gov (United States)

    saturated fatty acids ) were explored to determine the relationship of the detergencies of such systems to the physico-chemical nature (HLB, hydrophile...suggested that in such systems the chief action is van der Waals adsorption between hydr oxide mole ratio adducts of tridecyl alcohol are poor detergents of the saturated fatty acids .

  20. 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...

  1. Saturation effects in QCD from linear transport equation

    OpenAIRE

    Kutak, Krzysztof

    2010-01-01

    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.

  2. Multicenter bond index analysis of influence of metal cations on the aromaticity of aromatic amino acids: Phenylalanine and tyrosine

    Science.gov (United States)

    Pakiari, A. H.; Farrokhnia, M.; Azami, S. M.

    2008-05-01

    In order to provide insight into the influence of metal cations on the aromaticity of amino acids, evaluation of six-center delocalization indices is accomplished in the context of quantum theory of atoms in molecules (QTAIM). Aromaticity of two amino acids, phenylalanine and tyrosine, is investigated as typical amino acids containing aromatic ring in their isolated state and complexed by some metal cations. The results showed that the metal cations affect the most important three connectivities differently. Also, it is shown that the existence of metal cations can increase two-center delocalization in certain parts of the aromatic rings.

  3. 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.

  4. 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

    2002-11-01

    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.

  5. Self-assembly of aromatic-functionalized amphiphiles: The role and consequences of aromatic-aromatic noncovalent interactions in building supramolecular aggregates and novel assemblies

    Energy Technology Data Exchange (ETDEWEB)

    Whitten, D.G.; Chen, L.; Geiger, H.C.; Perlstein, J.; Song, X. [Los Alamos National Lab., NM (United States). Chemical Science and Technology Div.]|[Univ. of Rochester, NY (United States)

    1998-12-10

    This feature article presents an overview of a study of several different aromatic-functionalized amphiphiles-fatty acid and phospholipid derivatives. These amphiphiles form organized assemblies when the fatty acids are spread as monolayers at the air-water interface or when the phospholipids are dispersed in aqueous solutions. For a wide range of aromatic chromophores--trans-stilbene derivatives and a series of vinylogues (1,4-diphenyl-1,3-butadiene and 1,6-diphenyl-1,3,5-hexatriene), diphenylacetylenes, and azobenzenes such as phenyl, biphenyl, and terphenyl derivatives and modified stilbenes (styryl thiophenes and styryl naphthalenes)--assembly formation is accompanied by formation of aggregates of the aromatic groups. Results of experimental studies and simulations indicate that in many cases the aromatics form a small, stable unit aggregate characterized by strong noncovalent edge-to-face interactions among adjacent aromatics. Although the unit aggregates exhibit characteristic spectral shifts and strong induced circular dichroism indicating a chiral pinwheel aggregate structure, they may be packed together in pure films or dispersions to form an extended glide or herringbone structure. Although the pinwheel unit aggregate and the extended glide or herringbone structure. Although the pinwheel unit aggregate and the extended glide structure is favored for the majority of aromatics studied, for certain aromatics (styrenes, styrylthiophenes, and {alpha}-styrylnaphthalenes) a translation layer, characterized by face-to-face noncovalent interactions, is preferred. The glide or herringbone aggregates are readily distinguished from the translation aggregates by different spectral signatures and different photochemical and photophysical behavior. Factors controlling the type of aggregate and hence extended structure formed from different aromatic functionalized aromatics include shape and steric factors and strength of the competing noncovalent edge-face and face

  6. 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.

  7. [Raman spectrometry of several saturated fatty acids and their salts].

    Science.gov (United States)

    Luo, Man; Guan, Ping; Liu, Wen-hui; Liu, Yan

    2006-11-01

    Saturated fatty acids and their salts widely exist in the nature, and they are well known as important chemical materials. Their infrared spectra have been studied in detail. Nevertheless, few works on the Raman spectra characteristics of saturated fatty acids and their salts have been published before. Man-made crystals of acetic acid, stearic acid, calcium acetate, magnesium acetate, calcium stearate and magnesium stearate were investigated by means of Fourier transform Raman spectrometry for purpose of realizing their Raman spectra. Positive ions can cause the distinctions between the spectra of saturated fatty acids and their salts. The differences in mass and configuration between Ca2+ and Mg2+ result in the Raman spectra's diversity between calcium and magnesium salts of saturated fatty acids. Meanwhile, it is considered that the long carbon chain weakened the influence of different positive ions on the salts of saturated fatty acids.

  8. Initial microbial degradation of polycyclic aromatic hydrocarbons

    Directory of Open Access Journals (Sweden)

    Milić Jelena

    2016-01-01

    Full Text Available The group of polycyclic aromatic hydrocarbons (PAHs are very hazardous environmental pollutants because of their mutagenic, carcinogenic and toxic effects on living systems. The aim of this study was to examine and compare the ability and efficiency of selected bacterial isolates obtained from oil-contaminated areas to biodegrade PAHs. The potential of the bacteria to biodegrade various aromatic hydrocarbons was assessed using the 2,6-dichlorophenol-indophenol assay. Further biodegradation of PAHs was monitored by gravimetric and gas-chromatographic analysis. Among the eight bacterial isolates, identified on the basis of 16S rDNA sequences, two isolates, Planomicrobium sp. RNP01 and Rhodococcus sp. RNP05, had the ability to grow on and utilize almost all examined hydrocarbons. Those isolates were further examined for biodegradation of phenanthrene and pyrene, as single substrates, and as a mixture, in vitro for ten days. After three days, both isolates degraded a significant amount phenanthrene, which has a simpler chemical structure than pyrene. Planomicrobium sp.RNP01 commenced biodegradation of pyrene in the PAH mixture only after it had almost completly degraded phenanthrene. The isolated and characterized bacteria, Planomicrobium sp. RNP01 and Rhodococcus sp. RNP05, have shown high bioremediation potential and are likely candidates to be used for degradation of highly toxic PAHs in contaminated areas. [Projekat Ministarstva nauke Republike Srbije, br. III43004

  9. Enzyme catalytic nitration of aromatic compounds.

    Science.gov (United States)

    Kong, Mingming; Wang, Kun; Dong, Runan; Gao, Haijun

    2015-06-01

    Nitroaromatic compounds are important intermediates in organic synthesis. The classic method used to synthesize them is chemical nitration, which involves the use of nitric acid diluted in water or acetic acid, both harmful to the environment. With the development of green chemistry, environmental friendly enzyme catalysis is increasingly employed in chemical processes. In this work, we adopted a non-aqueous horseradish peroxidase (HRP)/NaNO2/H2O2 reaction system to study the structural characteristics of aromatic compounds potentially nitrated by enzyme catalysis, as well as the relationship between the charges on carbon atoms in benzene ring and the nitro product distribution. Investigation of various reaction parameters showed that mild reaction conditions (ambient temperature and neutral pH), plus appropriate use of H2O2 and NaNO2 could prevent inactivation of HRP and polymerization of the substrates. Compared to aqueous-organic co-solvent reaction media, the aqueous-organic two-liquid phase system had great advantages in increasing the dissolved concentration of substrate and alleviating substrate inhibition. Analysis of the aromatic compounds' structural characteristics indicated that substrates containing substituents of NH2 or OH were readily catalyzed. Furthermore, analysis of the relationship between natural bond orbital (NBO) charges on carbon atoms in benzene ring, as calculated by the density functional method, and the nitro product distribution characteristics, demonstrated that the favored nitration sites were the ortho and para positions of substituents in benzene ring, similar to the selectivity of chemical nitration.

  10. An Aromatic Inventory of the Local Volume

    CERN Document Server

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

    2010-01-01

    Using infrared photometry from the Spitzer Space Telescope, we perform the first inventory of aromatic feature emission (AFE, but also commonly referred to as PAH 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 IRAC 8 micron 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 IRS spectra and equivalent photometry. A potential factor of two improvement could be realized with suitable 5.5 and 10 micron photometry, such as what may be provided in the future by JWST. 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 lum...

  11. Segmentation and intensity estimation for microarray images with saturated pixels

    Directory of Open Access Journals (Sweden)

    Yang Yan

    2011-11-01

    Full Text Available Abstract Background Microarray image analysis processes scanned digital images of hybridized arrays to produce the input spot-level data for downstream analysis, so it can have a potentially large impact on those and subsequent analysis. Signal saturation is an optical effect that occurs when some pixel values for highly expressed genes or peptides exceed the upper detection threshold of the scanner software (216 - 1 = 65, 535 for 16-bit images. In practice, spots with a sizable number of saturated pixels are often flagged and discarded. Alternatively, the saturated values are used without adjustments for estimating spot intensities. The resulting expression data tend to be biased downwards and can distort high-level analysis that relies on these data. Hence, it is crucial to effectively correct for signal saturation. Results We developed a flexible mixture model-based segmentation and spot intensity estimation procedure that accounts for saturated pixels by incorporating a censored component in the mixture model. As demonstrated with biological data and simulation, our method extends the dynamic range of expression data beyond the saturation threshold and is effective in correcting saturation-induced bias when the lost information is not tremendous. We further illustrate the impact of image processing on downstream classification, showing that the proposed method can increase diagnostic accuracy using data from a lymphoma cancer diagnosis study. Conclusions The presented method adjusts for signal saturation at the segmentation stage that identifies a pixel as part of the foreground, background or other. The cluster membership of a pixel can be altered versus treating saturated values as truly observed. Thus, the resulting spot intensity estimates may be more accurate than those obtained from existing methods that correct for saturation based on already segmented data. As a model-based segmentation method, our procedure is able to identify inner

  12. Catalytic C-H imidation of aromatic cores of functional molecules: ligand-accelerated Cu catalysis and application to materials- and biology-oriented aromatics.

    Science.gov (United States)

    Kawakami, Takahiro; Murakami, Kei; Itami, Kenichiro

    2015-02-25

    Versatile imidation of aromatic C-H bonds was accomplished. In the presence of copper bromide and 6,6'-dimethyl-2,2'-bipyridyl, a range of aromatics, such as polycyclic aromatic hydrocarbons, aromatic bowls, porphyrins, heteroaromatics, and natural products, can be imidated by N-fluorobenzenesulfonimide. A dramatic ligand-accelerated copper catalysis and an interesting kinetic profile were uncovered.

  13. Glaucoma, Open-Angle

    Science.gov (United States)

    ... Programs Home > Statistics and Data > Glaucoma, Open-angle Glaucoma, Open-angle Open-angle Glaucoma Defined In open-angle glaucoma, the fluid passes ... 2010 2010 U.S. Age-Specific Prevalence Rates for Glaucoma by Age and Race/Ethnicity The prevalence of ...

  14. JISC Open Access Briefing Paper

    OpenAIRE

    Swan, Alma

    2005-01-01

    What Open Access is. What Open Access is not. How is Open Access provided? Open Access archives or repositories. Open Access journals. Why should authors provide Open Access to their work? Further information and resources

  15. OpenGL Insights

    CERN Document Server

    Cozzi, Patrick

    2012-01-01

    Get Real-World Insight from Experienced Professionals in the OpenGL Community With OpenGL, OpenGL ES, and WebGL, real-time rendering is becoming available everywhere, from AAA games to mobile phones to web pages. Assembling contributions from experienced developers, vendors, researchers, and educators, OpenGL Insights presents real-world techniques for intermediate and advanced OpenGL, OpenGL ES, and WebGL developers. Go Beyond the Basics The book thoroughly covers a range of topics, including OpenGL 4.2 and recent extensions. It explains how to optimize for mobile devices, explores the design

  16. 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.

  17. Simulation of Partially Saturated - Saturated Flow in the Caspar Creek E-Road Groundwater System

    Science.gov (United States)

    Fisher, J.; Fisher, J.

    2001-12-01

    Over the past decade, the U.S. Forest Service has monitored the subsurface hillslope flow of the E-Road swale. The swale is located in the Caspar Creek watershed near Fort Bragg, California. In hydrologic year 1990 a logging road was built across the middle section of the hillslope followed by a total clearcut of the area during the following year. Development of the logging road has resulted in a large build up of subsurface waters upslope of the road. The increase in pore pressures behind the road is of major concern for slope stability and road failure. A conceptual model is developed to describe the movement of water within the E-Road groundwater system. The two-dimensional SUTRA model is used to describe both saturated and partially saturated flow within the system. SUTRA utilizes a finite element and integrated finite difference method to approximate the governing equation for flow. The model appears to reproduce the uniquely different frequency responses within the E-Road groundwater system. A comparison of simulated and historical piezometric responses demonstrates the model's inability to reproduce historical drainage rates. The low rates of simulated drainage are attributed to the absence of pipeflow within the model. Finally, road consolidation is associated with increased water pressures beneath the road bed.

  18. Products Distribution of Meta-Oriented Aromatic Polyamide Needs Improvement

    Institute of Scientific and Technical Information of China (English)

    Sun Maojian

    2007-01-01

    @@ Capacity holding the second place in the world Metaoriented aromatic polya-mide fiber was first developed by DuPont of the United States. Commercial production began in the late 1960s.Today the world's capacity to produce meta-oriented aromatic polyamide fiber is 28 150t/a, and DuPont holds a 78% market share.

  19. 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.

  20. 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.

  1. Bis-perfluoroalkylation of aromatic compounds with sodium perfluoroalkanesulfinates

    Institute of Scientific and Technical Information of China (English)

    LIU, Jin-Tao(刘金涛); LU, He-Jun(吕贺军)

    2000-01-01

    Bis-perfluoroalkylation of aromatic compounds such as dimethoxybenzenes (2,4,6), anisole (8), pyridine (10) and quinoline (13) was accomplished by reaction with excess sodium perfluoroalkanesulfinates, RFSO2Na (1), in the presence of Mn(OAc)3·2H2O under mild conditions. The reaction provides a facile method for the synthesis of bis-perfluoroalkylated aromatic compounds.

  2. C-Nucleosides Derived from Simple Aromatic Hydrocarbons.

    Science.gov (United States)

    Chaudhuri, Narayan C; Ren, Rex X-F; Kool, Eric T

    1997-04-01

    We describe the synthesis, structure and DNA incorporation of a class of novel aromatic C-deoxynucleosides in which benzenes and larger polycyclic aromatics serve as DNA base analogs. Novel approaches have been developed for glycosidic bond formation and for epimenzation of the anomeric substitutents to β-configuration, and we describe some of the properties of such compounds in DNA.

  3. High atmosphere-ocean exchange of semivolatile aromatic hydrocarbons

    Science.gov (United States)

    González-Gaya, Belén; Fernández-Pinos, María-Carmen; Morales, Laura; Méjanelle, Laurence; Abad, Esteban; Piña, Benjamin; Duarte, Carlos M.; Jiménez, Begoña; Dachs, Jordi

    2016-06-01

    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 102-103 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.

  4. Eco-physiological Effects of Atmospheric Ozone and Polycyclic Aromatic Hydrocarbons (PAHs) on Plants

    Science.gov (United States)

    Bandai, S.; Sakugawa, H. H.

    2012-12-01

    [Introduction] Tropospheric ozone is one of most concerned air pollutant, by causing damage to trees and crops. Polycyclic aromatic hydrocarbons (PAHs) are ubiquitous contaminants found in various environmental compartments. Photo-induced toxicity of PAHs can be driven from formation of intracellular single oxygen and other reactive oxygen intermediates (ROI) leading to biological damages.(1) In the present study, we measured photosynthesis rate and other variables to investigate the effects of ozone and PAHs on the eco-physiological status of plants such as eggplant, common bean and strawberry. Plants treated with the single or combined air pollutants are expected to exhibit altered physiological, morphological and possibly growth changes. [Materials and Methods] We performed three exposure experiments. Exp.1. Eggplant (Solanum melongena) seedlings, were placed in the open-top chambers (n=6 plants/treatment). Treatment system was ozone (O)(120ppb), phenanthrene (P)(10μM), O+P, fluoranthene (F)(10μM), O+F, mannitol (M)(1mM) and the control (Milli-Q water)(C). P, F and M were sprayed three times weekly on the foliage part of eggplant. Average volume sprayed per seedling was 50mL. The treatment period was 30days and [AOT 40 (Accumulated exposure over a threshold of 40 ppb)]=28.8 ppmh. Exp.2, Common bean (Phaseolus vulgaris L.) seedlings were used (n=5 plants/treatment). The treatment system was the same as Exp.1. The treatment period was 40days and [AOT 40]=38.4ppmh. Exp.3. Strawberry (Fragaria L.) seedlings were used (n=5 plants/treatment). Treatment system was O (120ppb), F(10μM), O+F, F+M, O+M and C. The treatment period was 90days and [AOT 40]=86.4ppmh. Ecophysiological variables examined were photosynthesis rate measured at saturated irradiance (Amax), stomatal conductance to water vapour (gs), internal CO2 concentration (Ci), photochemical efficiency of PS2 in the dark (Fv/Fm), chlorophyll contents, visual symptom assessment and elemental composition in the

  5. Open Government and (Linked (Open (Government (Data

    Directory of Open Access Journals (Sweden)

    Christian Philipp Geiger

    2012-12-01

    Full Text Available This article explores the opening and the free usage of stored public sector data, supplied by state. In the age of Open Government and Open Data it’s not enough just to put data online. It should be rather weighed out whether, how and which supplied public sector data can be published. Open Data are defined as stored data which could be made accessible in a public interest without any restrictions for usage and distribution. These Open Data can possibly be statistics, geo data, maps, plans, environmental data and weather data in addition to materials of the parliaments, ministries and authorities. The preparation and the free access to existing data permit varied approaches to the reuse of data, discussed in the article. In addition, impulses can be given for Open Government – the opening of state and administration, to more transparency, participation and collaboration as well as to innovation and business development. The Open Data movement tries to get to the bottom of current publication processes in the public sector which could be formed even more friendly to citizens and enterprises.

  6. Generalized formula for the surface stiffness of fluid-saturated porous media containing parallel pore channels

    Energy Technology Data Exchange (ETDEWEB)

    Nagy, P.B.; Nayfeh, A.H. [Department of Aerospace Engineering and Engineering Mechanics, University of Cincinnati, Cincinnati, Ohio 45221 (United States)

    1995-09-25

    The surface stiffness of a fluid-saturated porous solid is defined as the ratio between a small change in capillary pressure and the average displacement of the boundary due to the resulting rise or fall of the fluid level in the pore channels. When the surface pores are structurally open, the surface stiffness is entirely due to the stiffness of the microscopic fluid membranes extended by capillary forces over the surface pores. Due to interfacial tension between the immiscible wetting fluid in the pores and nonwetting fluid (air) above the surface, essentially closed-pore boundary conditions can prevail at the interface. It has recently been shown that the surface stiffness of a porous material containing cylindrical pores can be calculated simply as the surface tension of the saturating fluid divided by the static permeability of the porous solid [P. B. Nagy, Appl. Phys. Lett. {bold 60}, 2735 (1992)]. In this letter, we show that the same simple relationship can be generalized for the surface stiffness of fluid-saturated porous media containing parallel prismatic pore channels of any number, size, or shape. {copyright} {ital 1995} {ital American} {ital Institute} {ital of} {ital Physics}.

  7. Microfiber-based few-layer black phosphorus saturable absorber for ultra-fast fiber laser

    CERN Document Server

    Luo, Zhi-Chao; Guo, Zhi-Nan; Jiang, Xiao-Fang; Luo, Ai-Ping; Zhao, Chu-Jun; Yu, Xue-Feng; Xu, Wen-Cheng; Zhang, Han

    2015-01-01

    Few-layer black phosphorus (BP), as the most alluring graphene analogue owing to its similar structure as graphene and thickness dependent direct band-gap, has now triggered a new wave of research on two-dimensional (2D) materials based photonics and optoelectronics. However, a major obstacle of practical applications for few-layer BPs comes from their instabilities of laser-induced optical damage. Herein, we demonstrate that, few-layer BPs, fabricated through the liquid exfoliation approach, can be developed as a new and practical saturable absorber (SA) by depositing few-layer BPs with microfiber. The saturable absorption property of few-layer BPs had been verified through an open-aperture z-scan measurement at the telecommunication band and the microfiber-based BP device had been found to show a saturable average power of ~4.5 mW and a modulation depth of 10.9%, which is further confirmed through a balanced twin detection measurement. By further integrating this optical SA device into an erbium-doped fiber...

  8. When Air is Injected into Mobile Liquid-saturated Porous Medium

    Science.gov (United States)

    Kong, X.-Z.; Kinzelbach, W.; Stauffer, F.

    2009-04-01

    The study of gas movement following injection into liquid saturated porous media is an active area of exploration for theoretical and practical reasons, e.g., in air-sparging, oil recovery, and bio-filter. Here, we report a set of two-dimensional laboratory visualization experiments by injecting air into a vertically placed granular medium. The medium is made of crushed fused silica glass and saturated with a glycerine-water solution for refractive-index-matching. We learn that: i) A previously unrecognized gas-flow instability was observed. The interaction of the injected air flow and the medium structure leads to mobilization of the medium and an instability, which causes the air channel to migrate. This instability is dominated by a dimensionless number α, which can be interpreted as a normalization of a critical velocity with a dipole velocity for saturated conditions. The channel migration appears as a sequence of previous channels collapsing and new channels opening. ii) The channel migration comes to a stop after some time, leaving one stable preferential channel for air flow. Furthermore, the grains' packing is compacted due to a rearrangement process. The compacted process is indicated by a set of tracing experiments. iii) Due to a mobilization of the granular medium, segregation on grain size occurs depending on a critical grain size, below which the coarser grains tend to accumulate at the downstream end of the preferred air pathway, and above which the finer grains tend to accumulate there.

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

    Energy Technology Data Exchange (ETDEWEB)

    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-case{close_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.

  10. Comprehensive Essentiality Analysis of the Mycobacterium tuberculosis Genome via Saturating Transposon Mutagenesis

    Science.gov (United States)

    DeJesus, Michael A.; Gerrick, Elias R.; Xu, Weizhen; Park, Sae Woong; Long, Jarukit E.; Boutte, Cara C.; Rubin, Eric J.; Schnappinger, Dirk; Ehrt, Sabine; Fortune, Sarah M.; Sassetti, Christopher M.

    2017-01-01

    ABSTRACT   For decades, identifying the regions of a bacterial chromosome that are necessary for viability has relied on mapping integration sites in libraries of random transposon mutants to find loci that are unable to sustain insertion. To date, these studies have analyzed subsaturated libraries, necessitating the application of statistical methods to estimate the likelihood that a gap in transposon coverage is the result of biological selection and not the stochasticity of insertion. As a result, the essentiality of many genomic features, particularly small ones, could not be reliably assessed. We sought to overcome this limitation by creating a completely saturated transposon library in Mycobacterium tuberculosis. In assessing the composition of this highly saturated library by deep sequencing, we discovered that a previously unknown sequence bias of the Himar1 element rendered approximately 9% of potential TA dinucleotide insertion sites less permissible for insertion. We used a hidden Markov model of essentiality that accounted for this unanticipated bias, allowing us to confidently evaluate the essentiality of features that contained as few as 2 TA sites, including open reading frames (ORF), experimentally identified noncoding RNAs, methylation sites, and promoters. In addition, several essential regions that did not correspond to known features were identified, suggesting uncharacterized functions that are necessary for growth. This work provides an authoritative catalog of essential regions of the M. tuberculosis genome and a statistical framework for applying saturating mutagenesis to other bacteria. PMID:28096490

  11. Impact of sample geometry on the measurement of pressure-saturation curves: experiments and simulations

    CERN Document Server

    Moura, M; Måløy, Knut Jørgen; Schäfer, G; Toussaint, R

    2015-01-01

    In this paper we study the influence of sample geometry on the measurement of pressure-saturation relationships, by analyzing the drainage of a two-phase flow from a quasi-2D random porous medium. The medium is transparent, which allows for the direct visualization of the invasion pattern during flow, and is initially saturated with a viscous liquid (a dyed glycerol-water mix). As the pressure in the liquid is gradually reduced, air penetrates from an open inlet, displacing the liquid which leaves the system from an outlet on the opposite side. Pressure measurements and images of the flow are recorded and the pressure-saturation relationship is computed. We show that this relationship depends on the system size and aspect ratio. The effects of the system's boundaries on this relationship are measured experimentally and compared with simulations produced using an invasion percolation algorithm. The pressure build up at the beginning and end of the invasion process are particularly affected by the boundaries of...

  12. Neutral Diboron Analogues of Archetypal Aromatic Species by Spontaneous Cycloaddition.

    Science.gov (United States)

    Arrowsmith, Merle; Böhnke, Julian; Braunschweig, Holger; Celik, Mehmet Ali; Claes, Christina; Ewing, William C; Krummenacher, Ivo; Lubitz, Katharina; Schneider, Christoph

    2016-09-05

    Among the numerous routes organic chemists have developed to synthesize benzene derivatives and heteroaromatic compounds, transition-metal-catalyzed cycloaddition reactions are the most elegant. In contrast, cycloaddition reactions of heavier alkene and alkyne analogues, though limited in scope, proceed uncatalyzed. In this work we present the first spontaneous cycloaddition reactions of lighter alkene and alkyne analogues. Selective addition of unactivated alkynes to boron-boron multiple bonds under ambient conditions yielded diborocarbon equivalents of simple aromatic hydrocarbons, including the first neutral 6 π-aromatic diborabenzene compound, a 2 π-aromatic triplet biradical 1,3-diborete, and a phosphine-stabilized 2 π-homoaromatic 1,3-dihydro-1,3-diborete. DFT calculations suggest that all three compounds are aromatic and show frontier molecular orbitals matching those of the related aromatic hydrocarbons, C6 H6 and C4 H4 (2+) , and homoaromatic C4 H5 (+) .

  13. (Hetero)aromatics from dienynes, enediynes and enyne-allenes.

    Science.gov (United States)

    Raviola, Carlotta; Protti, Stefano; Ravelli, Davide; Fagnoni, Maurizio

    2016-08-01

    The construction of aromatic rings has become a key objective for organic chemists. While several strategies have been developed for the functionalization of pre-formed aromatic rings, the direct construction of an aromatic core starting from polyunsaturated systems is yet a less explored field. The potential of such reactions in the formation of aromatics increased at a regular pace in the last few years. Nowadays, there are reliable and well-established procedures to prepare polyenic derivatives, such as dienynes, enediynes, enyne-allenes and hetero-analogues. This has stimulated their use in the development of innovative cycloaromatizations. Different examples have recently emerged, suggesting large potential of this strategy in the preparation of (hetero)aromatics. Accordingly, this review highlights the recent advancements in this field and describes the different conditions exploited to trigger the process, including thermal and photochemical activation, as well as the use of transition metal catalysis and the addition of electrophiles/nucleophiles or radical species.

  14. 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.

  15. Saturated fats: a perspective from lactation and milk composition.

    Science.gov (United States)

    German, J Bruce; Dillard, Cora J

    2010-10-01

    For recommendations of specific targets for the absolute amount of saturated fat intake, we need to know what dietary intake is most appropriate? Changing agricultural production and processing to lower the relative quantities of macronutrients requires years to accomplish. Changes can have unintended consequences on diets and the health of subsets of the population. Hence, what are the appropriate absolute amounts of saturated fat in our diets? Is the scientific evidence consistent with an optimal intake of zero? If not, is it also possible that a finite intake of saturated fats is beneficial to overall health, at least to a subset of the population? Conclusive evidence from prospective human trials is not available, hence other sources of information must be considered. One approach is to examine the evolution of lactation, and the composition of milks that developed through millennia of natural selective pressure and natural selection processes. Mammalian milks, including human milk, contain 50% of their total fatty acids as saturated fatty acids. The biochemical formation of a single double bond converting a saturated to a monounsaturated fatty acid is a pathway that exists in all eukaryotic organisms and is active within the mammary gland. In the face of selective pressure, mammary lipid synthesis in all mammals continues to release a significant content of saturated fatty acids into milk. Is it possible that evolution of the mammary gland reveals benefits to saturated fatty acids that current recommendations do not consider?

  16. 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.

  17. Hydrate morphology: Physical properties of sands with patchy hydrate saturation

    Science.gov (United States)

    Dai, S.; Santamarina, J.C.; Waite, William F.; Kneafsey, T.J.

    2012-01-01

    The physical properties of gas hydrate-bearing sediments depend on the volume fraction and spatial distribution of the hydrate phase. The host sediment grain size and the state of effective stress determine the hydrate morphology in sediments; this information can be used to significantly constrain estimates of the physical properties of hydrate-bearing sediments, including the coarse-grained sands subjected to high effective stress that are of interest as potential energy resources. Reported data and physical analyses suggest hydrate-bearing sands contain a heterogeneous, patchy hydrate distribution, whereby zones with 100% pore-space hydrate saturation are embedded in hydrate-free sand. Accounting for patchy rather than homogeneous hydrate distribution yields more tightly constrained estimates of physical properties in hydrate-bearing sands and captures observed physical-property dependencies on hydrate saturation. For example, numerical modeling results of sands with patchy saturation agree with experimental observation, showing a transition in stiffness starting near the series bound at low hydrate saturations but moving toward the parallel bound at high hydrate saturations. The hydrate-patch size itself impacts the physical properties of hydrate-bearing sediments; for example, at constant hydrate saturation, we find that conductivity (electrical, hydraulic and thermal) increases as the number of hydrate-saturated patches increases. This increase reflects the larger number of conductive flow paths that exist in specimens with many small hydrate-saturated patches in comparison to specimens in which a few large hydrate saturated patches can block flow over a significant cross-section of the specimen.

  18. Retinal oxygen saturation evaluation by multi-spectral fundus imaging

    Science.gov (United States)

    Khoobehi, Bahram; Ning, Jinfeng; Puissegur, Elise; Bordeaux, Kimberly; Balasubramanian, Madhusudhanan; Beach, James

    2007-03-01

    Purpose: To develop a multi-spectral method to measure oxygen saturation of the retina in the human eye. Methods: Five Cynomolgus monkeys with normal eyes were anesthetized with intramuscular ketamine/xylazine and intravenous pentobarbital. Multi-spectral fundus imaging was performed in five monkeys with a commercial fundus camera equipped with a liquid crystal tuned filter in the illumination light path and a 16-bit digital camera. Recording parameters were controlled with software written specifically for the application. Seven images at successively longer oxygen-sensing wavelengths were recorded within 4 seconds. Individual images for each wavelength were captured in less than 100 msec of flash illumination. Slightly misaligned images of separate wavelengths due to slight eye motion were registered and corrected by translational and rotational image registration prior to analysis. Numerical values of relative oxygen saturation of retinal arteries and veins and the underlying tissue in between the artery/vein pairs were evaluated by an algorithm previously described, but which is now corrected for blood volume from averaged pixels (n > 1000). Color saturation maps were constructed by applying the algorithm at each image pixel using a Matlab script. Results: Both the numerical values of relative oxygen saturation and the saturation maps correspond to the physiological condition, that is, in a normal retina, the artery is more saturated than the tissue and the tissue is more saturated than the vein. With the multi-spectral fundus camera and proper registration of the multi-wavelength images, we were able to determine oxygen saturation in the primate retinal structures on a tolerable time scale which is applicable to human subjects. Conclusions: Seven wavelength multi-spectral imagery can be used to measure oxygen saturation in retinal artery, vein, and tissue (microcirculation). This technique is safe and can be used to monitor oxygen uptake in humans. This work

  19. Self-Assembly and Drug Release Capacities of Organogels via Some Amide Compounds with Aromatic Substituent Headgroups

    Directory of Open Access Journals (Sweden)

    Lexin Zhang

    2016-07-01

    Full Text Available In this work, some amide compounds with different aromatic substituent headgroups were synthesized and their gelation self-assembly behaviors in 22 solvents were characterized as new gelators. The obtained results indicated that the size of aromatic substituent headgroups in molecular skeletons in gelators showed crucial effect in the gel formation and self-assembly behavior of all compounds in the solvents used. Larger aromatic headgroups in molecular structures in the synthesized gelator molecules are helpful to form various gel nanostructures. Morphological investigations showed that the gelator molecules can self-assembly and stack into various organized aggregates with solvent change, such as wrinkle, belt, rod, and lamella-like structures. Spectral characterizations suggested that there existed various weak interactions including π-π stacking, hydrogen bonding, and hydrophobic forces due to aromatic substituent headgroups and alkyl substituent chains in molecular structures. In addition, the drug release capacities experiments demonstrated that the drug release rate in present obtained gels can be tuned by adjusting the concentrations of dye. The present work would open up enormous insight to design and investigate new kind of soft materials with designed molecular structures and tunable drug release performance.

  20. 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.

  1. The Reverse Saturation Absorption Property of Indanthrone and Its Derivatives

    Institute of Scientific and Technical Information of China (English)

    LIU Dajun; DUAN Qian; HE Xingquan; ZOU Ying

    2005-01-01

    The syntheses of three nonlinear reverse saturation absorption compounds-Indanthrone and its two derivatives are discussed. The properties of nonlinear reverse saturable absorption of the compounds were studied by using the Z- scanning technique, and the influences of its conjugated structure on the absorption threshold value and the absorbable light density were discussed based on the reverse saturation absorption principle. The results shows that when the structure' s conjugation property of Indanthrone and its derivatives becomes more powerful , its absorption threshold reduces, the light lowest transmittance increases.

  2. Prediction of saturated liquid enthalpy of refrigerant mixtures

    Institute of Scientific and Technical Information of China (English)

    CHEN ZeShao; CHEN JianXin; HU Peng

    2007-01-01

    New corresponding temperature and corresponding enthalpy of refrigerant mixtures were defined. The relationship between saturated liquid corresponding enthalpy and corresponding temperature of refrigerant mixtures accorded with that of pure components. The characteristic parameters of saturated liquid enthalpy difference of refrigerant mixtures were calculated by three methods according to the different application conditions. The generalized equation of saturated liquid enthalpy of refrigerant mixtures was presented. The calculated values were compared with the values in literature for five ternary and binary refrigerant mixtures, namely R404A, R407A, R407B, R32/R134a, and R410A. The overall average absolute deviation was less than 1.0%.

  3. An Elastoplastic Model for Partially Saturated Collapsible Rocks

    Science.gov (United States)

    Ma, Jianjun

    2016-02-01

    A unified elastoplastic model for describing the stress-strain behavior of partially saturated collapsible rocks is proposed. The elastic-plastic response due to loading and unloading is captured using bounding surface plasticity. The coupling effect of hydraulic and mechanical responses is addressed by applying the effective stress concept. Special attention is paid to the rock-fluid characteristic curve (RFCC), effective stress parameter, and suction hardening. A wide range of saturation degree is considered. The characteristics of mechanical behavior in partially saturated collapsible rocks are captured for all cases considered.

  4. Synchronized aromaticity as an enthalpic driving force for the aromatic Cope rearrangement.

    Science.gov (United States)

    Babinski, David J; Bao, Xiaoguang; El Arba, Marie; Chen, Bo; Hrovat, David A; Borden, Weston Thatcher; Frantz, Doug E

    2012-10-03

    We report herein experimental and theoretical evidence for an aromatic Cope rearrangement. Along with several successful examples, our data include the first isolation and full characterization of the putative intermediate that is formed immediately after the initial [3,3] sigmatropic rearrangement. Calculations at the B3LYP/6-31G(d) level of theory predict reaction energy barriers in the range 22-23 kcal/mol for the [3,3]-rearrangement consistent with the exceptionally mild reaction conditions for these reactions. The experimental and computational results support a significant enthalpic contribution of the concomitant pyrazole ring formation that serves as both a kinetic and thermodynamic driving force for the aromatic Cope rearrangement.

  5. Polyenamines from aromatic diacetylenic diketones and diamines

    Science.gov (United States)

    Hergenrother, Paul M. (Inventor); Bass, Robert G. (Inventor); Sinsky, Mark S. (Inventor); Connell, John W. (Inventor)

    1987-01-01

    The synthesis and characterization of several polyenamine ketones are discussed wherein conjugated diacetylenic diketones and aromatic diamines are used as a route to the formation of high molecular weight polyenamine ketones which exhibit good mechanical properties and can be cast into creasible films. Typical polymerization conditions involved the reaction of stoichiometric amounts of 1,4- or 1,3-PPPO and a diamine at 60 to 130 C in m-cresol at (w/w) solids content of 8 to 26% for a specified period of time under a nitrogen atmosphere. Novel polyenamine ketones were prepared with inherent viscosities as high as 1.99 dl/g and tough, clear amber films with tensile strengths of 12,400 psi and tensile moduli of 397,000 psi were cast from solutions of the polymers in chloroform. In most cases, the elemental analyses for the polyenamine ketones agree within + or - 0.3% of the theoretical values.

  6. Structural Evolution of Interstellar Polycyclic Aromatic Hydrocarbons

    Science.gov (United States)

    Hammonds, Mark; Candian, Alessandra; Mori, Tamami; Usui, Fumihiko; Onaka, Takashi

    2015-08-01

    Polycyclic Aromatic Hydrocarbons (PAHs) are an important reservoir for molecular carbon in the interstellar medium (ISM), and investigations into their chemistry and behaviour may be important to the understanding of how carbon is processed from simple forms into complex prebiotic molecules such as those detected in chondritic meteorites. In this study, infrared astronomical data from AKARI and other observatories are used together with laboratory and theoretical data to study variations in the structure of emitting PAHs in interstellar environments using spectroscopic decomposition techniques and bands arising from carbon-hydrogen bond vibrations at wavelengths from 3 - 14 microns. Results and inferences are discussed in terms of the processing of large carbonaceous molecules in astrophysical environments.

  7. The biodegradation vs. biotransformation of fluorosubstituted aromatics.

    Science.gov (United States)

    Kiel, Martina; Engesser, Karl-Heinrich

    2015-09-01

    Fluoroaromatics are widely and--in recent years--increasingly used as agrochemicals, starting materials for chemical syntheses and especially pharmaceuticals. This originates from the special properties the carbon-fluorine bond is imposing on organic molecules. Hence, fluoro-substituted compounds more and more are considered to be important potential environmental contaminants. On the other hand, the microbial potentials for their transformation and mineralization have received less attention in comparison to other haloaromatics. Due to the high electronegativity of the fluorine atom, its small size, and the extraordinary strength of the C-F bond, enzymes and mechanisms known to facilitate the degradation of chloro- or bromoarenes are not necessarily equally active with fluoroaromatics. Here, we review the literature on the microbial degradation of ring and side-chain fluorinated aromatic compounds under aerobic and anaerobic conditions, with particular emphasis being placed on the mechanisms of defluorination reactions.

  8. Photochemically induced oscillations of aromatic pentazadienes

    Energy Technology Data Exchange (ETDEWEB)

    Kunz, T.; Hahn, C.; Wokaun, A. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1997-06-01

    Aromatic pentazadienes are used to enhance the laser induced ablation of standard polymers with low absorption in the UV. Therefore the photochemistry of substituted 1,5-diaryl-3-alkyl-1,4-pentazadiene monomers was studied with a pulsed excimer laser as irradiation source. The net photochemical reaction proceeds in an overall one-step pathway A{yields}B. Quantum yields for the laser decomposition were determined to be up to 10%. An oscillating behaviour of the absorption was found during the dark period following the irradiation. The temperature dependence of this dark reaction has been studied. An attempt to model this behaviour in terms of a non-linear coupling between heat released, heat transfer, and reaction kinetics will be described. (author) 4 figs., 4 refs.

  9. Environmental Remediation: Removal of polycyclic aromatic hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Nkansah, Marian Asantewah

    2012-11-15

    Polycyclic aromatic hydrocarbons (PAHs) are ubiquitous persistent semi-volatile organic compounds. They are contaminants that are resistant to degradation and can remain in the environment for long periods due to their high degree of conjugation, and aromaticity. PAHs are present in industrial effluents as products of incomplete combustion processes of organic compounds. Petroleum, coal and shale oil contain extremely complex mixtures of these PAHs, and their transport and refining process can also result in the release of PAHs. It is therefore prudent that such effluents are treated before discharge into the environment. In this project, different approaches to the treatment of PAHs have been investigated. Hydrous pyrolysis has been explored as a potential technique for degrading PAHs in water using anthracene as a model compound. The experiments were performed under different conditions of temperature, substrate, redox systems and durations. The conditions include oxidising systems comprising pure water, hydrogen peroxide and Nafion-SiO2 solid catalyst in water; and reducing systems of formic acid and formic acid / Nafion-SiO2 / Pd-C catalysts to assess a range of reactivities. Products observed in GCMS analysis of the extract from the water phase include anthrone, anthraquinone, xanthone and multiple hydro-anthracene derivatives (Paper I). In addition a modified version of the Nafion-SiO2 solid catalyst in water oxidising system was tested; and reducing systems of formic acid and formic acid / Nafion-SiO2 / Pd-C catalysts were adopted for the conversion of a mixture of anthracene, fluorene and fluoranthene. The rate of conversion in the mixture was high as compared to that of only anthracene (Paper II). Also the use of LECA (Lightweight expanded clay aggregates) as an adsorbent (Paper III) for PAHs (phenanthrene, fluoranthene and pyrene) removal from water has been.(Author)

  10. Inhibitory effects of polycyclic aromatic hydrocarbons (PAHs) on photosynthetic performance are not related to their aromaticity.

    Science.gov (United States)

    Jajoo, Anjana; Mekala, Nageswara Rao; Tomar, Rupal Singh; Grieco, Michele; Tikkanen, Mikko; Aro, Eva-Mari

    2014-08-01

    Polycyclic aromatic hydrocarbons (PAHs) are very toxic and highly persistent environmental pollutants which accumulate in soil and affect growth of the plants adversely. This study aims to investigate inhibitory effects of 3 major PAH particularly on photosynthetic processes in Arabidopsis thaliana grown in soil treated with PAH. The 3 PAH chosen differ from each other in aromaticity (number of rings) comprising their structure (2 rings: naphthalene, 3 rings: anthracene and 4 rings: pyrene). Several growth parameters and Chlorophyll a fluorescence was monitored in PAH treated plants. BN-PAGe analysis was done in order to get information about change in the protein conformation. PAH treatment led to increased value of Fo which collaborated with increase in the amount of free LHC as seen through BN-Page analysis. Thus PAH were found to inhibit PS II photochemistry and caused distinct change in pigment composition. However the results led us to infer that 3-ring anthracence is more inhibitory as compared to 2-ring naphthalene and 4-ring pyrene. This indicates that aromaticity of PAH is unrelated to their response on photosynthetic processes.

  11. Exploring aromatic chemical space with NEAT: novel and electronically equivalent aromatic template.

    Science.gov (United States)

    Tu, Meihua; Rai, Brajesh K; Mathiowetz, Alan M; Didiuk, Mary; Pfefferkorn, Jeffrey A; Guzman-Perez, Angel; Benbow, John; Guimarães, Cristiano R W; Mente, Scot; Hayward, Matthew M; Liras, Spiros

    2012-05-25

    In this paper, we describe a lead transformation tool, NEAT (Novel and Electronically equivalent Aromatic Template), which can help identify novel aromatic rings that are estimated to have similar electrostatic potentials, dipoles, and hydrogen bonding capabilities to a query template; hence, they may offer similar bioactivity profiles. In this work, we built a comprehensive heteroaryl database, and precalculated high-level quantum mechanical (QM) properties, including electrostatic potential charges, hydrogen bonding ability, dipole moments, chemical reactivity, and othe properties. NEAT bioisosteric similarities are based on the electrostatic potential surface calculated by Brood, using the precalculated QM ESP charges and other QM properties. Compared with existing commercial lead transformation software, (1) NEAT is the only one that covers the comprehensive heteroaryl chemical space, and (2) NEAT offers a better characterization of novel aryl cores by using high-evel QM properties that are relevant to molecular interactions. NEAT provides unique value to medicinal chemists quickly exploring the largely uncharted aromatic chemical space, and one successful example of its application is discussed herein.

  12. 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)

  13. Saturated thickness of the Minnelusa aquifer, Black Hills, South Dakota.

    Data.gov (United States)

    U.S. Geological Survey, Department of the Interior — This data set is a polygon coverage created in ARC/INFO that represents the saturated thickness of the Minnelusa aquifer, Black Hills area, South Dakota. The...

  14. Pore capillary pressure and saturation of methane hydrate bearing sediments

    Institute of Scientific and Technical Information of China (English)

    SUN Shicai; LIU Changling; YE Yuguang; LIU Yufeng

    2014-01-01

    To better understand the relationship between the pore capillary pressure and hydrate saturation in sedi-ments, a new method was proposed. First, the phase equilibria of methane hydrate in fine-grained silica sands were measured. As to the equilibrium data, the pore capillary pressure and saturation of methane hydrate were calculated. The results showed that the phase equilibria of methane hydrates in fine-grained silica sands changed due to the depressed activity of pore water caused by the surface group and negatively charged characteristic of silica particles as well as the capillary pressure in small pores together. The capil-lary pressure increased with the increase of methane hydrate saturation due to the decrease of the available pore space. However, the capillary-saturation relationship could not yet be described quantitatively because of the stochastic habit of hydrate growth.

  15. Saturation of Zeldovich stretch-twist-fold map dynamos

    Science.gov (United States)

    Seta, Amit; Bhat, Pallavi; Subramanian, Kandaswamy

    2015-10-01

    > value is determined by the relative importance of the increased diffusion versus the reduced stretching. These saturation properties are akin to the range of possibilities that have been discussed in the context of fluctuation dynamos.

  16. Using historical biogeography to test for community saturation.

    Science.gov (United States)

    Pinto-Sánchez, Nelsy Rocío; Crawford, Andrew J; Wiens, John J

    2014-09-01

    Saturation is the idea that a community is effectively filled with species, such that no more can be added without extinctions. This concept has important implications for many areas of ecology, such as species richness, community assembly, invasive species and climate change. Here, we illustrate how biogeography can be used to test for community saturation, when combined with data on local species richness, phylogeny and climate. We focus on a clade of frogs (Terrarana) and the impact of the Great American Biotic Interchange on patterns of local richness in Lower Middle America and adjacent regions. We analyse data on species richness at 83 sites and a time-calibrated phylogeny for 363 species. We find no evidence for saturation, and show instead that biotic interchange dramatically increased local richness in the region. We suggest that historical biogeography offers thousands of similar long-term natural experiments that can be used to test for saturation.

  17. 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.

  18. Saturated thickness of the Madison aquifer, Black Hills, South Dakota.

    Data.gov (United States)

    U.S. Geological Survey, Department of the Interior — This data set is a polygon coverage created in ARC/INFO that represents the saturated thickness of the Madison aquifer, which includes the entire thickness of the...

  19. Saturation of Photoassociation in Cs Magneto-optical Trap

    Institute of Scientific and Technical Information of China (English)

    MA Jie; WANG Li-Rong; JI Wei-Bang; XIAO Lian-Tuan; JIA Suo-Tang

    2007-01-01

    An ultrahigh resolution photoassociation spectrum of caesium atoms in a magneto-optical trap is presented. Hyperfine structure of the excited state molecule is obtained by using the lock-in method based on modulated cold atoms in this spectrum. Amplitude of resonant lines related to the rotational levels increases with photoassociation laser intensity, and saturation effect of photoassociation of cold atoms is observed in our experiment. The saturation intensity of photoassociation is deduced by fitting the experimental data to a saturation model based on scattering theory. Differences among saturation intensities of different rotational progressions in the v = 55vibrational state of the caesium molecular long-range O-g state have been found.

  20. Information point and saturation flow at signalized intersections

    Directory of Open Access Journals (Sweden)

    Lijun Gao

    2016-08-01

    Full Text Available This paper introduces an information point factor and attempts to identify how it affects saturation flow and their relationship at signalized intersections. An information point is defined as any object, structure, or activity located outside of a traveling vehicle that can potentially attract the visual attention of the driver. Saturation flow rates are studied at three pairs of signalized intersections in Toledo, Ohio, USA. Each pair of intersections consists of one intersection with a high number of information points and one intersection with a low number of information points. Study results reveal that, for each pair of intersections, the one with high information points has a lower saturation flow rate than the one with low information points. A statistical analysis shows that the differences are significant. Based on the saturation flow data of the paired intersections, information point effect models are developed and presented in this paper.

  1. Soil hydraulic properties near saturation, an improved conductivity model

    DEFF Research Database (Denmark)

    Børgesen, Christen Duus; Jacobsen, Ole Hørbye; Hansen, Søren;

    2006-01-01

    The hydraulic properties near saturation can change dramatically due to the presence of macropores that are usually difficult to handle in traditional pore size models. The purpose of this study is to establish a data set on hydraulic conductivity near saturation, test the predictive capability...... of commonly used hydraulic conductivity models and give suggestions for improved models. Water retention and near saturated and saturated hydraulic conductivity were measured for a variety of 81 top and subsoils. The hydraulic conductivity models by van Genuchten [van Genuchten, 1980. A closed-form equation...... for predicting the hydraulic conductivity of unsaturated soils. Soil Sci. Soc. Am. J. 44, 892–898.] (vGM) and Brooks and Corey, modified by Jarvis [Jarvis, 1991. MACRO—A Model of Water Movement and Solute Transport in Macroporous Soils. Swedish University of Agricultural Sciences. Department of Soil Sciences...

  2. OpenCities Project

    Data.gov (United States)

    US Agency for International Development — The Open Cities Project aims to catalyze the creation, management and use of open data to produce innovative solutions for urban planning and resilience challenges...

  3. Open Payments Data

    Data.gov (United States)

    U.S. Department of Health & Human Services — Open Payments (otherwise known as the Sunshine Act) - Open Payments is a Congressionally-mandated transparency program that increases awareness of financial...

  4. Pulse Distortion in Saturated Fiber Optical Parametric Chirped Pulse Amplification

    DEFF Research Database (Denmark)

    Lali-Dastjerdi, Zohreh; Da Ros, Francesco; Rottwitt, Karsten

    2012-01-01

    Fiber optical parametric chirped pulse amplification is experimentally compared for different chirped pulses in the picosecond regime. The amplified chirped pulses show distortion appearing as pedestals after recompression when the amplifier is operated in saturation.......Fiber optical parametric chirped pulse amplification is experimentally compared for different chirped pulses in the picosecond regime. The amplified chirped pulses show distortion appearing as pedestals after recompression when the amplifier is operated in saturation....

  5. Simulation of Nonlinear Gain Saturation in Active Photonic Crystal Waveguides

    DEFF Research Database (Denmark)

    Chen, Yaohui; Mørk, Jesper

    2012-01-01

    In this paper we present a theoretical analysis of slowlight enhanced traveling wave amplification in an active semiconductor Photonic crystal waveguides. The impact of group index on nonlinear modal gain saturation is investigated.......In this paper we present a theoretical analysis of slowlight enhanced traveling wave amplification in an active semiconductor Photonic crystal waveguides. The impact of group index on nonlinear modal gain saturation is investigated....

  6. Response of Saturated Porous Nonlinear Materials to Dynamic Loadings

    Science.gov (United States)

    1984-05-31

    the following section a bilinear hysteretic skeleton was modeled, followed by calculations on an actual sand from Enewetak Atoll . In this section...the response of saturated sand from Enewetak Atoll . The skeleton properties are taken from laboratory data reported in the second volunie of this study...with an actual saturated sand from Enewetak Atoll . In Section 2, the theoretical background and numerical code, TPDAP, used in this study are described

  7. Design of saturated controllers for linear singular systems

    Institute of Scientific and Technical Information of China (English)

    Wang Ruliang; Liu Yongqing

    2005-01-01

    A designing method is presented to find stabilizing saturated linear controllers for linear continuous time and discrete time singular systems with control constraints. The idea is as follows: The system is first stabilized by a low-gain linear state feedback control. A general Lyapunov function is found, on the basis of which another linear state feedback control is computed.The second step is very similar to a relay control design. The two controls are added and saturated.

  8. Nonlinear Gain Saturation in Active Slow Light Photonic Crystal Waveguides

    DEFF Research Database (Denmark)

    Chen, Yaohui; Mørk, Jesper

    2013-01-01

    We present a quantitative three-dimensional analysis of slow-light enhanced traveling wave amplification in an active semiconductor photonic crystal waveguides. The impact of slow-light propagation on the nonlinear gain saturation of the device is investigated.......We present a quantitative three-dimensional analysis of slow-light enhanced traveling wave amplification in an active semiconductor photonic crystal waveguides. The impact of slow-light propagation on the nonlinear gain saturation of the device is investigated....

  9. Law of nonlinear flow in saturated clays and radial consolidation

    Institute of Scientific and Technical Information of China (English)

    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.

  10. Dispersants as used in response to the MC252-spill lead to higher mobility of polycyclic aromatic hydrocarbons in oil-contaminated Gulf of Mexico sand.

    Directory of Open Access Journals (Sweden)

    Alissa Zuijdgeest

    Full Text Available After the explosion of the Deepwater Horizon oil rig, large volumes of crude oil were washed onto and embedded in the sandy beaches and sublittoral sands of the Northern Gulf of Mexico. Some of this oil was mechanically or chemically dispersed before reaching the shore. With a set of laboratory-column experiments we show that the addition of chemical dispersants (Corexit 9500A increases the mobility of polycyclic aromatic hydrocarbons (PAHs in saturated permeable sediments by up to two orders of magnitude. Distribution and concentrations of PAHs, measured in the solid phase and effluent water of the columns using GC/MS, revealed that the mobility of the PAHs depended on their hydrophobicity and was species specific also in the presence of dispersant. Deepest penetration was observed for acenaphthylene and phenanthrene. Flushing of the columns with seawater after percolation of the oiled water resulted in enhanced movement by remobilization of retained PAHs. An in-situ benthic chamber experiment demonstrated that aromatic hydrocarbons are transported into permeable sublittoral sediment, emphasizing the relevance of our laboratory column experiments in natural settings. We conclude that the addition of dispersants permits crude oil components to penetrate faster and deeper into permeable saturated sands, where anaerobic conditions may slow degradation of these compounds, thus extending the persistence of potentially harmful PAHs in the marine environment. Application of dispersants in nearshore oil spills should take into account enhanced penetration depths into saturated sands as this may entail potential threats to the groundwater.

  11. Structure-Activity Relationships in Nitro-Aromatic Compounds

    Science.gov (United States)

    Vogt, R. A.; Rahman, S.; Crespo-Hernández, C. E.

    Many nitro-aromatic compounds show mutagenic and carcinogenic properties, posing a potential human health risk. Despite this potential health hazard, nitro-aromatic compounds continue to be emitted into ambient air from municipal incinerators, motor vehicles, and industrial power plants. As a result, understanding the structural and electronic factors that influence mutagenicity in nitro-aromatic compounds has been a long standing objective. Progress toward this goal has accelerated over the years, in large part due to the synergistic efforts among toxicology, computational chemistry, and statistical modeling of toxicological data. The concerted influence of several structural and electronic factors in nitro-aromatic compounds makes the development of structure-activity relationships (SARs) a paramount challenge. Mathematical models that include a regression analysis show promise in predicting the mutagenic activity of nitro-aromatic compounds as well as in prioritizing compounds for which experimental data should be pursued. A major challenge of the structure-activity models developed thus far is their failure to apply beyond a subset of nitro-aromatic compounds. Most quantitative structure-activity relationship papers point to statistics as the most important confirmation of the validity of a model. However, the experimental evidence shows the importance of the chemical knowledge in the process of generating models with reasonable applicability. This chapter will concisely summarize the structural and electronic factors that influence the mutagenicity in nitro-aromatic compounds and the recent efforts to use quantitative structure-activity relationships to predict those physicochemical properties.

  12. Pi-Pi STACKING OF THE AROMATIC GROUPS IN LIGNOSULFONATES

    Directory of Open Access Journals (Sweden)

    Yonghong Deng,

    2012-01-01

    Full Text Available Sodium lignosulfonate (SL fractions with narrow molecular weight distribution and known salt content were used to investigate – stacking of the aromatic groups in SL. Results show that the charge-free aromatic groups of SL tend to form oriented – stacking with the spectroscopic characteristics of J–aggregates. The formation of J–aggregates in SL are recognized by a significant spectral red shift in fluorescent excitation spectra. The other effects that may cause spectral shift, such as the SL species, solvent effect, and the impurities, are investigated to confirm that the formation of J-aggregates is the only viable explanation for the significant spectral redshift of SL. Salt causes molecular shrinkage of SL polyelectrolytes, but has no influence on J–aggregates of the aromatic groups as detected by lack of spectral shift, indicating that the aromatic groups are charge-free. This suggests that not all the aromatic groups but only the charge-free aromatic groups can form – stacking. This work demonstrates the presence of J–aggregation in aqueous SL solutions for the first time, which gives an insight in understanding the preferred orientation of the aromatic groups in lignin-based biopolymers.

  13. 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.)

  14. Open Hardware Business Models

    Directory of Open Access Journals (Sweden)

    Edy Ferreira

    2008-04-01

    Full Text Available In the September issue of the Open Source Business Resource, Patrick McNamara, president of the Open Hardware Foundation, gave a comprehensive introduction to the concept of open hardware, including some insights about the potential benefits for both companies and users. In this article, we present the topic from a different perspective, providing a classification of market offers from companies that are making money with open hardware.

  15. The relation between oxygen saturation level and retionopathy of prematurity

    Directory of Open Access Journals (Sweden)

    Mohammad Gharavi Fard

    2016-03-01

    Full Text Available Introduction: Oxygen therapy used for preterm infant disease might be associated with oxygen toxicity or oxidative stress. The exact oxygen concentration to control and maintain the arterial oxygen saturation balance is not certainly clear. We aimed to compare the efficacy of higher or lower oxygen saturations on the development of severe retinopathy of prematurity which is a major cause of blindness in preterm neonates. Methods: PubMed was searched for obtaining the relevant articles. A total of seven articles were included after studying the titles, abstracts, and the full text of retrieved articles at initial search. Inclusion criteria were all the English language human clinical randomized controlled trials with no time limitation, which studied the efficacy of low versus high oxygen saturation measured by pulse oximetry in preterm infants.Result: It can be suggested that lower limits of oxygen saturations have higher efficacy at postmesetural age of ≤28 weeks in preterm neonates. This relation has been demonstrated in five large clinical trials including three Boost trials, COT, and Support.Discussion: Applying higher concentrations of oxygen supplementations at mesentural age ≥32 weeks reduced the development of retinopathy of prematurity. Lower concentrations of oxygen saturation decreased the incidence and the development of retinopathy of prematurity in preterm neonates while applied soon after the birth.Conclusions: Targeting levels of oxygen saturation in the low or high range should be performed cautiously with attention to the postmesentural age in preterm infants at the time of starting the procedures.

  16. Biodegradation of crude oil saturated fraction supported on clays.

    Science.gov (United States)

    Ugochukwu, Uzochukwu C; Jones, Martin D; Head, Ian M; Manning, David A C; Fialips, Claire I

    2014-02-01

    The role of clay minerals in crude oil saturated hydrocarbon removal during biodegradation was investigated in aqueous clay/saturated hydrocarbon microcosm experiments with a hydrocarbon degrading microorganism community. The clay minerals used for this study were montmorillonite, palygorskite, saponite and kaolinite. The clay mineral samples were treated with hydrochloric acid and didecyldimethylammonium bromide to produce acid activated- and organoclays respectively which were used in this study. The production of organoclay was restricted to only montmorillonite and saponite because of their relative high CEC. The study indicated that acid activated clays, organoclays and unmodified kaolinite, were inhibitory to biodegradation of the hydrocarbon saturates. Unmodified saponite was neutral to biodegradation of the hydrocarbon saturates. However, unmodified palygorskite and montmorillonite were stimulatory to biodegradation of the hydrocarbon saturated fraction and appears to do so as a result of the clays' ability to provide high surface area for the accumulation of microbes and nutrients such that the nutrients were within the 'vicinity' of the microbes. Adsorption of the saturated hydrocarbons was not significant during biodegradation.

  17. Saturation curves of parallel-plate ionization chambers

    Energy Technology Data Exchange (ETDEWEB)

    Fallone, B.G.; Podgorsak, E.B.

    A new analytical expression is presented to describe the full saturation curve of parallel-plate ionization chambers. In contrast to the presently known expressions, which hold only for the near saturation region, this empirically determined expression is in excellent agreement with measurements in the whole collection efficiency range from 0 to 1 for x-ray sources with effective energies from 20 to 150 keV and cobalt-60 gamma rays. The dependence of the ion collection efficiency and the extrapolated electric field, which is a parameter in the new saturation curve expression, on electric field, dose, dose rate, beam quality, and chamber volume, is discussed. The effect of photoemission from the chamber polarizing electrode for low-energy x-ray beams on the saturation current is demonstrated. A universal ionization chamber constant is derived experimentally. It is shown that all parameters of the saturation curve equation and thus the saturation curve itself, can be calculated from one single measurement of ionization current at a given electric field and air gap thickness.

  18. Prevalence of Sensor Saturation in Wheelchair Seat Interface Pressure Mapping.

    Science.gov (United States)

    Wininger, Michael; Crane, Barbara A

    2015-01-01

    Pressure mapping is a frequently used tool with great power to provide information about the forces between a patient and a wheelchair seat. One widely recognized limitation to this paradigm is the possibility of data loss due to sensor saturation. In this study, we seek to quantify and describe the saturation observed in the measurement of interface pressures of wheelchair users. We recorded approximately two minutes of interface pressure data from 22 elderly wheelchair users (11M/11F, 80 ± 10 years) and found that 4.7% of data frames had 1 saturated sensor, and 9.0% had more than one saturated sensor, for a total of 13.7% of all frames of data. Data from three of the 22 subjects (13.6%) were substantially affected by the persistent presence of saturated sensors. We conclude that for this population of elderly wheelchair users, sensor saturation may be a concern and should be factored properly into study design a priori.

  19. Open Rotor Development

    Science.gov (United States)

    Van Zante, Dale E.; Rizzi, Stephen A.

    2016-01-01

    The ERA project executed a comprehensive test program for Open Rotor aerodynamic and acoustic performance. System studies used the data to estimate the fuel burn savings and acoustic margin for an aircraft system with open rotor propulsion. The acoustic measurements were used to produce an auralization that compares the legacy blades to the current generation of open rotor designs.

  20. OpenFlow cookbook

    CERN Document Server

    Smiler S, Kingston

    2015-01-01

    This book is intended for network protocol developers, SDN controller application developers, and academics who would like to understand and develop their own OpenFlow switch or OpenFlow controller in any programming language. With basic understanding of OpenFlow and its components, you will be able to follow the recipes in this book.

  1. Dimensions of Openness

    DEFF Research Database (Denmark)

    Dalsgaard, Christian; Thestrup, Klaus

    2015-01-01

    The objective of the paper is to present a pedagogical approach to openness. The paper develops a framework for understanding the pedagogical opportunities of openness in education. Based on the pragmatism of John Dewey and sociocultural learning theory, the paper defines openness in education...

  2. Open Source Business Solutions

    Directory of Open Access Journals (Sweden)

    Ion IVAN

    2008-01-01

    Full Text Available This analyses the Open source movement. Open source development process and management is seen different from the classical point of view. This focuses on characteristics and software market tendencies for the main Open source initiatives. It also points out the labor market future evolution for the software developers.

  3. Kinetics and mechanisms of reactions involving small aromatic reactive intermediates

    Energy Technology Data Exchange (ETDEWEB)

    Lin, M.C. [Emory Univ., Atlanta, GA (United States)

    1993-12-01

    Small aromatic radicals such as C{sub 6}H{sub 5}, C{sub 6}H{sub 5}O and C{sub 6}H{sub 4} are key prototype species of their homologs. C{sub 6}H{sub 5} and its oxidation product, C{sub 6}H{sub 5}O are believed to be important intermediates which play a pivotal role in hydrocarbon combustion, particularly with regard to soot formation. Despite their fundamental importance, experimental data on the reaction mechanisms and reactivities of these species are very limited. For C{sub 6}H{sub 5}, most kinetic data except its reactions with NO and NO{sub 2}, were obtained by relative rate measurements. For C{sub 6}H{sub 5}O, the authors have earlier measured its fragmentation reaction producing C{sub 5}H{sub 5} + CO in shock waves. For C{sub 6}H{sub 4}, the only rate constant measured in the gas phase is its recombination rate at room temperature. The authors have proposed to investigate systematically the kinetics and mechanisms of this important class of molecules using two parallel laser diagnostic techniques--laser resonance absorption (LRA) and resonance enhanced multiphoton ionization mass spectrometry (REMPI/MS). In the past two years, study has been focused on the development of a new multipass adsorption technique--the {open_quotes}cavity-ring-down{close_quotes} technique for kinetic applications. The preliminary results of this study appear to be quite good and the sensitivity of the technique is at least comparable to that of the laser-induced fluorescence method.

  4. Theoretical study of aromaticity in inorganic tetramer clusters

    Indian Academy of Sciences (India)

    Sandeep Nigam; Chiranjib Majumder; S K Kulshreshtha

    2006-11-01

    Ground state geometry and electronic structure of M$^{2-}_{4}$ cluster (M = B, Al, Ga) have been investigated to evaluate their aromatic properties. The calculations are performed by employing the Density Functional Theory (DFT) method. It is found that all these three clusters adopt square planar configuration. Results reveal that square planar M$^{2-}_{4}$ dianion exhibits characteristics of multifold aromaticity with two delocalised -electrons. In spite of the unstable nature of these dianionic clusters in the gas phase, their interaction with the sodium atoms forms very stable dipyramidal M4Na2 complexes while maintaining their square planar structure and aromaticity.

  5. Aromatic oligoamides with a rare ortho-connectivity

    DEFF Research Database (Denmark)

    Hjelmgaard, T.; Nielsen, John

    2013-01-01

    Even though aromatic oligoamides composed of aromatic amino acids in a "one-way sequence" attract ever increasing research interest, backbones connected through ortho-linked aromatics remain rare. Herein, we present the first synthesis and study of N-alkylated ortho-aminomethyl- benzamides termed...... studies indicated a more restricted rotation about the amide bonds in ortho-arylopeptoids, presumably due to a more congested backbone structure resulting from the ortho-connectivity pattern. Intriguingly, tert-butyl and phenyl side chains offer complete control over the amide conformations; whereas...

  6. 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

  7. OpenSubspace

    DEFF Research Database (Denmark)

    Müller, Emmanuel; Assent, Ira; Günnemann, Stephan

    2009-01-01

    Subspace clustering and projected clustering are recent research areas for clustering in high dimensional spaces. As the field is rather young, there is a lack of comparative studies on the advantages and disadvantages of the different algorithms. Part of the underlying problem is the lack...... of available open source implementations that could be used by researchers to understand, compare, and extend subspace and projected clustering algorithms. In this paper, we discuss the requirements for open source evaluation software. We propose OpenSubspace, an open source framework that meets...... these requirements. OpenSubspace integrates state-of-the-art performance measures and visualization techniques to foster research in subspace and projected clustering....

  8. Implementing OpenShift

    CERN Document Server

    Miller, Adam

    2013-01-01

    A standard tutorial-based approach to using OpenShift and deploying custom or pre-built web applications to the OpenShift Online cloud.This book is for software developers and DevOps alike who are interested in learning how to use the OpenShift Platform-as-a-Service for developing and deploying applications, how the environment works on the back end, and how to deploy their very own open source Platform-as-a-Service based on the upstream OpenShift Origin project.

  9. Deploying OpenStack

    CERN Document Server

    Pepple, Ken

    2011-01-01

    OpenStack was created with the audacious goal of being the ubiquitous software choice for building public and private cloud infrastructures. In just over a year, it's become the most talked-about project in open source. This concise book introduces OpenStack's general design and primary software components in detail, and shows you how to start using it to build cloud infrastructures. If you're a developer, technologist, or system administrator familiar with cloud offerings such as Rackspace Cloud or Amazon Web Services, Deploying OpenStack shows you how to obtain and deploy OpenStack softwar

  10. Openness, Web 2.0 Technology, and Open Science

    Science.gov (United States)

    Peters, Michael A.

    2010-01-01

    Open science is a term that is being used in the literature to designate a form of science based on open source models or that utilizes principles of open access, open archiving and open publishing to promote scientific communication. Open science increasingly also refers to open governance and more democratized engagement and control of science…

  11. Open Access @ DTU

    DEFF Research Database (Denmark)

    Ekstrøm, Jeannette

    Open Access is high on the agenda in Denmark and internationally. Denmark has announced a national strategy for Open Access that aims to achieve Open Access to 80% in 2017 and 100% in 2022 to peer review research articles. All public Danish funders as well as H2020 requires that all peer review...... articles that is an outcome of their funding will be Open Access. Uploading your full texts (your final author manuscript after review ) to DTU Orbit is a fundamental part of providing Open Access to your research. We are here to answer all your questions with regards to Open Access and related topics...... such as copyright, DTU Orbit, Open Access journals, APCs, Vouchers etc....

  12. Numerical modelling of multicomponent LNAPL dissolution kinetics at residual saturation in a saturated subsurface system

    Indian Academy of Sciences (India)

    M Vasudevan; G Suresh Kumar; Indumathi M Nambi

    2014-12-01

    Characterization of aquifers contaminated by petroleum hydrocarbons is limited by the use of dissolution mass transfer correlations developed for single compounds without considering the effects of the mass transfer limitations in presence of other components. A one-dimensional implicit numerical model is developed for the coupled mass transfer and transport processes and the results are analysed using existing mass transfer correlations for better understanding of the single and multicomponent dissolution processes. Themass transfer coefficient in the multicomponent system is found to be more nonlinear and extending with changing slope, unlike the exponential reduction for single compound system. During the initial phase, the dissolution rate of a soluble compound is very high due to the high concentration gradient, and as dissolution progresses, its effective solubility decreases with change in mole fraction. At higher pore volumes, the mole fractions of lower solubility fractions increase which can result in higher effective solubility. The kinetics of interphase mass transfer by dissolution and sorption is favoured by coupled biodegradation. However, mass transfer limitation for more soluble compounds under the conditions of low residual saturation and low mole fraction is observed to be due to low dissolution rate coefficient rather than decreasing concentration gradient.

  13. Elastic laboratory measurements and modeling of saturated basalts

    Science.gov (United States)

    Adam, Ludmila; Otheim, Thomas

    2013-03-01

    Understanding the elastic behavior of basalt is important to seismically monitor volcanoes, subsea basalts, and carbon sequestration in basalt. We estimate the elastic properties of basalt samples from the Snake River Plain, Idaho, at ultrasonic (0.8 MHz) and seismic (2-300 Hz) frequencies. To test the sensitivity of seismic waves to the fluid content in the pore structure, measurements are performed at three saturation conditions: saturated with liquid CO2, water, and dry. When CO2 replaces water, the P-wave velocity drops, on average, by 10%. Vesicles and cracks, observed in the rock microstructure, control the relaxation of pore-fluid pressures in the rock as a wave propagates. The bulk and shear moduli of basalts saturated with liquid CO2 are not frequency dependent, suggesting that fluid pore pressures are in equilibrium between 2 Hz and 0.8 MHz. However, when samples are water saturated, the bulk modulus of the rock is frequency dependent. Modeling with Gassmann's equations predicts the measured saturated rock bulk modulus for all fluids for frequencies below 20 Hz but underpredicts the water-saturated basalt bulk modulus for frequencies greater than 20 Hz. The most likely reason is that the pore-fluid pressures are unrelaxed. Instead, the ultrasonic frequency rock moduli are modeled with high-frequency elastic theories of squirt flow and Kuster-Toksöz (KT). Although KT's model is based on idealized pore shapes, a combination of spheres (vesicles) and penny-shaped cracks (fractures) interpreted and quantified from petrographical data predicts the ultrasonic dry and saturated rock moduli for the measured basalts.

  14. Six-Membered Aromatic Polyazides: Synthesis and Application

    Directory of Open Access Journals (Sweden)

    Sergei V. Chapyshev

    2015-10-01

    Full Text Available Aromatic polyazides are widely used as starting materials in organic synthesis and photochemical studies, as well as photoresists in microelectronics and as cross-linking agents in polymer chemistry. Some aromatic polyazides possess high antitumor activity, while many others are of considerable interest as high-energy materials and precursors of high-spin nitrenes and C3N4 carbon nitride nanomaterials. The use of aromatic polyazides in click-reactions may be a new promising direction in the design of various supramolecular systems possessing interesting chemical, physical and biological properties. This review is devoted to the synthesis, properties and applications of six-membered aromatic compounds containing three and more azido groups in the ring.

  15. Prenyl transfer to aromatic substrates: genetics and enzymology.

    Science.gov (United States)

    Heide, Lutz

    2009-04-01

    Aromatic prenyltransferases catalyze the transfer of prenyl moieties to aromatic acceptor molecules and give rise to an astounding diversity of primary and secondary metabolites in plants, fungi and bacteria. Significant progress has been made in the biochemistry and genetics of this heterogeneous group of enzymes in the past years. After 30 years of extensive research on plant prenylflavonoid biosynthesis, finally the first aromatic prenyltransferases involved in the formation of these compounds have been cloned. In bacteria, investigations of the newly discovered family of ABBA prenyltransferases revealed a novel type of protein fold, the PT barrel. In fungi, a group of closely related indole prenyltransferase was found to carry out aromatic prenylations with different substrate specificity and regiospecificity, and to catalyze both regular and reverse prenylations.

  16. 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, chlorophe......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...

  17. [Inhibition of aromatics on ammonia-oxidizing activity of sediment].

    Science.gov (United States)

    Dong, Chun-hong; Hu, Hong-ying; Wei, Dong-bin; Huang, Xia; Qian, Yi

    2004-03-01

    The inhibition of 24 aromatics on ammonia-oxidizing activity of nitrifying bacteria in sediment was measured. The effects of the kind, number and position of substituted groups on ammonia-oxidizing activity of nitrifying bacteria were discussed. The inhibition of mono-substituted benzenes on ammonia-oxidizing activity of nitrifying bacteria were in order of -OH > -NO2 > -NH2 > -Cl > -CH3 > -H. The position of substituted groups of di-substituted benzenes also affected the inhibition, and the inhibitions of dimethylbenzenes(xylene) were in order of meta-> ortho-> para-. The increase in number of substituted group on benzene-ring enhanced the inhibition of aromatics studied in this study on nitrifying bacteria. There was a linear relationship between inhibition (IC50, mumol.L-1) of aromatics on ammonia-oxidizing activity and total electronegativity (sigma E) of aromatics: lgIC50 = 14.72 - 0.91 sigma E.

  18. Six-Membered Aromatic Polyazides: Synthesis and Application.

    Science.gov (United States)

    Chapyshev, Sergei V

    2015-10-21

    Aromatic polyazides are widely used as starting materials in organic synthesis and photochemical studies, as well as photoresists in microelectronics and as cross-linking agents in polymer chemistry. Some aromatic polyazides possess high antitumor activity, while many others are of considerable interest as high-energy materials and precursors of high-spin nitrenes and C₃N₄ carbon nitride nanomaterials. The use of aromatic polyazides in click-reactions may be a new promising direction in the design of various supramolecular systems possessing interesting chemical, physical and biological properties. This review is devoted to the synthesis, properties and applications of six-membered aromatic compounds containing three and more azido groups in the ring.

  19. Assessing Uncertainty of Interspecies Correlation Estimation Models for Aromatic Compounds

    Science.gov (United States)

    We developed Interspecies Correlation Estimation (ICE) models for aromatic compounds containing 1 to 4 benzene rings to assess uncertainty in toxicity extrapolation in two data compilation approaches. ICE models are mathematical relationships between surrogate and predicted test ...

  20. 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.

  1. Application of aromatization catalyst in synthesis of carbon nanotubes

    Indian Academy of Sciences (India)

    Song Rongjun; Yang Yunpeng; Ji Qing; Li Bin

    2012-02-01

    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 dehydrogenation–cyclization and condensation reaction of carbon source, which belongs to a necessary step in the formation of CNTs. In this work, aromatization catalysts, H-beta zeolite, HZSM-5 zeolite and organically modified montmorillonite (OMMT) were chosen to investigate their effects on the formation of multi-walled carbon nanotubes (MWCNTs) via pyrolysis method when polypropylene and 1-hexene as carbon source and Ni2O3 as the charring catalyst. The results demonstrated that the combination of those aromatization catalysts with nickel catalyst can effectively improve the formation of MWCNTs.

  2. Affinity labelling enzymes with esters of aromatic sulfonic acids

    Science.gov (United States)

    Wong, Show-Chu; Shaw, Elliott

    1977-01-01

    Novel esters of aromatic sulfonic acids are disclosed. The specific esters are nitrophenyl p- and m-amidinophenylmethanesulfonate. Also disclosed is a method for specific inactivation of the enzyme, thrombin, employing nitrophenyl p-amidinophenylmethanesulfonate.

  3. Pilot-scale study on nitrogen and aromatic compounds removal in printing and dyeing wastewater by reinforced hydrolysis-denitrification coupling process and its microbial community analysis.

    Science.gov (United States)

    Li, Chao; Ren, Hongqiang; Yin, Erqin; Tang, Siyuan; Li, Yi; Cao, Jiashun

    2015-06-01

    Aiming to efficiently dispose printing and dyeing wastewater with "high organic nitrogen and aromatic compounds, but low carbon source quality", the reinforced anaerobic hydrolysis-denitrification coupling process, based on improved UASB reactors and segregated collection-disposition strategy, was designed and applied at the pilot scale. Results showed that the coupling process displayed efficient removal for these two kinds of pollutants (nitrogen and aromatics), since the concentration of NH3-N (shortened as ρ (NH3-N)) aromatics reduced greatly by UASBs according to GC-MS. Microbial community analysis by PCR-DGGE showed that Bacteroidetes and Alphaproteobacteria were the dominant communities in the bioreactors and some kinds of VFAs-producing, denitrifying and aromatic ring opening microorganisms were discovered. Further, the nirK and bcrA genes quantification also indicated the coupling process owned outstanding denitrification and aromatic compound-degrading potential, which demonstrates that the coupling process owns admirable applicability for this kind of wastewater treatment.

  4. Optimization of low ring polycylic aromatic biodegradation

    Science.gov (United States)

    Othman, N.; Abdul-Talib, S.; Tay, C. C.

    2016-07-01

    Polycyclic aromatic hydrocarbons (PAHs) are recalcitrance and persistence that finally turn into problematic environmental contaminants. Microbial degradation is considered to be the primary mechanism of PAHs removal from the environment due to its organic criteria. This study is carried out to optimize degradation process of low ring PAHs. Bacteria used in this study was isolated from sludge collected from Kolej Mawar, Universiti Teknologi MARA, Shah Alam, Selangor. Working condition namely, substrate concentration, bacteria concentration, pH and temperature were optimized. PAHs in the liquid sample was extracted by using solid phase microextractio equipped with a 7 µm polydimethylsiloxane (PDMS) SPME fibr. Removal of PAHs were assessed by measuring PAHs concentration using GC-FID. Results from the optimization study of biodegradation indicated that maximum rate of PAHs removal occurred at 100 mgL-1 of PAHs, 10% bacteria concentration, pH 7.0 and 30°C. These working condition had proved the effectiveness of using bacteria in biodegradation process of PAHs.

  5. Biodegradation of aliphatic and aromatic polycarbonates.

    Science.gov (United States)

    Artham, Trishul; Doble, Mukesh

    2008-01-01

    Polycarbonate is one of the most widely used engineering plastics because of its superior physical, chemical, and mechanical properties. Understanding the biodegradation of this polymer is of great importance to answer the increasing problems in waste management of this polymer. Aliphatic polycarbonates are known to biodegrade either through the action of pure enzymes or by bacterial whole cells. Very little information is available that deals with the biodegradation of aromatic polycarbonates. Biodegradation is governed by different factors that include polymer characteristics, type of organism, and nature of pretreatment. The polymer characteristics such as its mobility, tacticity, crystallinity, molecular weight, the type of functional groups and substituents present in its structure, and plasticizers or additives added to the polymer all play an important role in its degradation. The carbonate bond in aliphatic polycarbonates is facile and hence this polymer is easily biodegradable. On the other hand, bisphenol A polycarbonate contains benzene rings and quaternary carbon atoms which form bulky and stiff chains that enhance rigidity. Even though this polycarbonate is amorphous in nature because of considerable free volume, it is non-biodegradable since the carbonate bond is inaccessible to enzymes because of the presence of bulky phenyl groups on either side. In order to facilitate the biodegradation of polymers few pretreatment techniques which include photo-oxidation, gamma-irradiation, or use of chemicals have been tested. Addition of biosurfactants to improve the interaction between the polymer and the microorganisms, and blending with natural or synthetic polymers that degrade easily, can also enhance the biodegradation.

  6. CHARACTERISTICS OF AROMATIC HYDROCARBONS IN CRUDE OILS

    Institute of Scientific and Technical Information of China (English)

    罗斌杰; 李新宇

    1994-01-01

    Crude oils from different basins in China ,Australia and New Zealand were analyzed to character-ize aromatic hydrocarbons produced in different environments by means of GC/MS .The distributions of some common compounds such as naphthalene, phenanthrene, chrysene,pyrene, fluoranthene, fluorine,dibenzothiophene and dibenzofuran were found to be related to sedimentary environments.Especially the relative contents of fluorenes ,dibenzofurans and dibenzothiophenes can be used to di-vide the oils into three types(1) saline or marine carbonate environment;(2) fresh-brackish water lake;(3) swamp and coal-bearing sequence.A romatic biomarkers (e.g.retene, nor-abietene,derivatives of lupeol and β-amyrin)represent higher plant inpults with respect to the precursors of crude oils. High contents of sulphur-containing compounds like benzothiophene and dibenzothiophene series indicate a reducing sulphur-abundant diagenetic condition .The benzohopane series (C32-C35) was identified both in hypersaline and coal-bearing basins, and it is postulated to be the result of strong bacteria activity.In all the sam-ples, a complete series of alkyl benzenes was analyzed .The similarity of its carbon-number distrbu-tion with that of n-alkanes probably suggests their genetic relationship. The distribution of the methylphenanthrene series reflects the evolution degree of crude oils,MPI holding a positive correlation with C29-sterane 20S/(20S+20R).

  7. Porphyrins Fused with Unactivated Polycyclic Aromatic Hydrocarbons

    KAUST Repository

    Diev, Vyacheslav V.

    2012-01-06

    A systematic study of the preparation of porphyrins with extended conjugation by meso,β-fusion with polycyclic aromatic hydrocarbons (PAHs) is reported. The meso-positions of 5,15-unsubstituted porphyrins were readily functionalized with PAHs. Ring fusion using standard Scholl reaction conditions (FeCl 3, dichloromethane) occurs for perylene-substituted porphyrins to give a porphyrin β,meso annulated with perylene rings (0.7:1 ratio of syn and anti isomers). The naphthalene, pyrene, and coronene derivatives do not react under Scholl conditions but are fused using thermal cyclodehydrogenation at high temperatures, giving mixtures of syn and anti isomers of the meso,β-fused porphyrins. For pyrenyl-substituted porphyrins, a thermal method gives synthetically acceptable yields (>30%). Absorption spectra of the fused porphyrins undergo a progressive bathochromic shift in a series of naphthyl (λ max = 730 nm), coronenyl (λ max = 780 nm), pyrenyl (λ max = 815 nm), and perylenyl (λ max = 900 nm) annulated porphyrins. Despite being conjugated with unsubstituted fused PAHs, the β,meso-fused porphyrins are more soluble and processable than the parent nonfused precursors. Pyrenyl-fused porphyrins exhibit strong fluorescence in the near-infrared (NIR) spectral region, with a progressive improvement in luminescent efficiency (up to 13% with λ max = 829 nm) with increasing degree of fusion. Fused pyrenyl-porphyrins have been used as broadband absorption donor materials in photovoltaic cells, leading to devices that show comparatively high photovoltaic efficiencies. © 2011 American Chemical Society.

  8. Synthesis and characterization of organosoluble aromatic copolyimids

    Institute of Scientific and Technical Information of China (English)

    YANG Jintian; HUANG Wei; ZHOU Yongfeng; YAN Deyue

    2007-01-01

    A series of aromatic copolyimides was success fully synthesized from the commercial pyromellitic dianhy dride (PMDA) with a commercial diamine p-phenyldiamine (PDA) and a diamine 4,4'-methylenebis-(2-tert-butylaniline)(MBTBA) specially designed by the authors.The copoly imides were characterized by Infra-red (IR),Nuclear Magnetic Resonance (NMR),Gel Permeation Chromato graphy (GPC),Ultraviolet Visual (UV-Vis),Thermogra vimetic Analysis (TGA) and Dynamic Mechanical Analysis (DMA).The copolyimide was precipitated in m-cresol in the polymerization process when the molar ratio of MBTBA and PDA was lower than 6/4.The number-average molecular weight of the soluble copolyimides measured by GPC was larger than 4.0 x 104,and the polydispersity index was higher than 1.5.Only one glass transition temperature of these copolyimdies was detected around 360℃ by DMA.The copolyimides did not show appreciable decomposition up to 500℃ under N2,and the thermal stability of the copolyimide increased a little with the introduction of PDA into the polyimide main chain.

  9. Highly Energetic, Low Sensitivity Aromatic Peroxy Acids.

    Science.gov (United States)

    Gamage, Nipuni-Dhanesha H; Stiasny, Benedikt; Stierstorfer, Jörg; Martin, Philip D; Klapötke, Thomas M; Winter, Charles H

    2016-02-18

    The synthesis, structure, and energetic materials properties of a series of aromatic peroxy acid compounds are described. Benzene-1,3,5-tris(carboperoxoic) acid is a highly sensitive primary energetic material, with impact and friction sensitivities similar to those of triacetone triperoxide. By contrast, benzene-1,4-bis(carboperoxoic) acid, 4-nitrobenzoperoxoic acid, and 3,5-dinitrobenzoperoxoic acid are much less sensitive, with impact and friction sensitivities close to those of the secondary energetic material 2,4,6-trinitrotoluene. Additionally, the calculated detonation velocities of 3,5-dinitrobenzoperoxoic acid and 2,4,6-trinitrobenzoperoxoic acid exceed that of 2,4,6-trinitrotoluene. The solid-state structure of 3,5-dinitrobenzoperoxoic acid contains intermolecular O-H⋅⋅⋅O hydrogen bonds and numerous N⋅⋅⋅O, C⋅⋅⋅O, and O⋅⋅⋅O close contacts. These attractive lattice interactions may account for the less sensitive nature of 3,5-dinitrobenzoperoxoic acid.

  10. Atmospheric polycyclic aromatic hydrocarbons in Seoul, Korea

    Science.gov (United States)

    Park, Seung S.; Kim, Young J.; Kang, Chang H.

    Daily particulate- and vapor-phase polycyclic aromatic hydrocarbons (PAH) samples were collected at an urban site in Seoul, Korea, during five intensive sampling campaigns between October 1998 and December 1999. PAH samples collected on quartz fiber filters and PUF plugs were first extracted using dichloromethane with ultrasonication and supercritical fluid extraction methods, respectively, and then analyzed by GC/MSD/SIM. Seasonal trends in atmospheric PAH concentrations in the study area were highly influenced by fossil fuel usage for domestic heating, boundary layer height, and air temperature. The relative benzo[a]pyrene amount and particulate organic to elemental carbon ratio calculated from the measurement results suggested that photo-oxidation is not an important factor in the variation of PAH concentrations during the summer sampling periods. Correlation studies between specific PAH of the individual factors identified by principal component factor analysis and meteorological parameters revealed that both temperature and relative humidity gave greater effects on the semi-volatile PAH, PHEN and FLT, rather than on the heavier PAH, B(b+k)F and BghiP.

  11. Structure and Aromaticity of AlCO-substituted Semibullvalene

    Institute of Scientific and Technical Information of China (English)

    YAO Wen-Zhi; WU Hai-Shun

    2007-01-01

    The structures, energies and aromaticity (the nuclear-independent chemical shifts,NICS) of AlCO-substituted semibullvalenes were investigated at the B3LYP/6-311+G** level.Similar to BCO-substituted analogues, [2,6]-AlCO-semibullvalene is neutral bishomoaromatic.The NICS values reveal that the aromaticity of AlCO-substituted structures is smaller than that of BCO analogues.

  12. Engineered biosynthesis of bacterial aromatic polyketides in Escherichia coli

    OpenAIRE

    Zhang, Wenjun; Li, Yanran; Tang, Yi

    2008-01-01

    Bacterial aromatic polyketides are important therapeutic compounds including front line antibiotics and anticancer drugs. It is one of the last remaining major classes of natural products of which the biosynthesis has not been reconstituted in the genetically superior host Escherichia coli. Here, we demonstrate the engineered biosynthesis of bacterial aromatic polyketides in E. coli by using a dissected and reassembled fungal polyketide synthase (PKS). The minimal PKS of the megasynthase PKS4...

  13. Environmental Remediation: Removal of polycyclic aromatic hydrocarbons Dissertation

    OpenAIRE

    Nkansah, Marian Asantewah

    2012-01-01

    Polycyclic aromatic hydrocarbons (PAHs) are ubiquitous persistent semi-volatile organic compounds. They are contaminants that are resistant to degradation and can remain in the environment for long periods due to their high degree of conjugation, and aromaticity. PAHs are present in industrial effluents as products of incomplete combustion processes of organic compounds. Petroleum, coal and shale oil contain extremely complex mixtures of these PAHs, and their transport and refi...

  14. Transient Crystallization of an Aromatic Polyetherimide: Effect of Annealing

    Science.gov (United States)

    1991-01-01

    on the annealing behavior of an aromatic polyetherimide ( Ultem 5001). Although crystallization from the melt did not occur, crystallinity was easily...in LARC-TPI. 10-’ 3 Ultem aromatic polyetherimide, first reported by Serfaty, 15 is an amorphous thermoplastic with the following structure for a...commercially available Ultem 1000. 0 0 0n Our studies have been carried out on Ultem 5001-based materials which is a new aro- matic polyetherimide with

  15. KINETICS OF MESOPHASE FORMATION OF A LYOTROPIC AROMATIC POLYAMIDE

    Institute of Scientific and Technical Information of China (English)

    CHEN Shouxi

    1989-01-01

    The kinetics of mesophase formation of a lyotropic aromatic polyamide from isotropic state has been studied by means of depolarized light intensity. Avrami type analysis of the data gives an exponent close to 1, which suggests the nucleation followed by one-dimensional growth. No influence of blending flexible chain from nylon 6 to the aromatic polyamide on the kinetics of mesophase formation was observed.

  16. THE GAS TRANSPORT BEHAVIOR IN AROMATIC POLYESTER MEMBRANES

    Institute of Scientific and Technical Information of China (English)

    ZHANG Jian; SUN Qiushi; HOU Xiaohuai

    1996-01-01

    Six aromatic polyesters were prepared for gas separation membranes, and their permeation properties for hydrogen, oxygen, nitrogen, carbon dioxide, and methane were measured at 30℃ and 1 atmosphere by low pressure manometric method. The correlation between the gas transport behavior and molecular structure of aromatic polyester membrane is discussed. These data are interpreted qualitatively in terms of the calculated packing density, gas-polymer interaction, concentration of aryl bromine on backbone, and effect of silane group on main chain of polymer.

  17. Terahertz Spectroscopy of Biochars and Related Aromatic Compounds

    Science.gov (United States)

    Lepodise, L. M.; Horvat, J.; Lewis, R. A.

    2016-07-01

    A recent application of terahertz spectroscopy is to biochar, the agricultural charcoal produced by pyrolysis of various organic materials. Biochars simultaneously improve soil fertility and assist in carbon sequestration. Terahertz spectroscopy allows different biochars to be distinguished. However, the origin of the absorption features observed has not been clear. Given that biochar-based fertilizers are rich in aromatic compounds, we have investigated simple aromatic compounds as an approach to unravelling the complex biochar spectrum.

  18. Catalytic co-aromatization of ethanol and methane

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Aiguo; He, Peng; Yung, Matthew; Zeng, Hongbo; Qian, Hui; Song, Hua

    2016-12-01

    This study demonstrates the technical feasibility of simultaneously converting ethanol and methane into liquid hydrocarbons at mild reaction conditions (400 degrees C and 1 atm) over silver and/or zinc modified zeolite catalysts. After GC-MS analysis, it is worth noting that aromatics are the major compounds contained in the liquid product collected from the run when 1%Ag/ZSM-5, particularly after H2 pretreatment, is charged. Compared to the performance exhibited from the run with pure HZSM-5 support engaged, Ag addition into the HZSM-5 framework favors aromatics formation, which might be closely associated with better Ag dispersion and more abundance of strong surface acidic sites where aromatization might take place while Zn loading exerts a detrimental effect on the production of aromatics but promotes the ether generation possibly through dehydration reaction. Referred to that from its N2 counterpart, the increased aromatics formation of the collected liquid product when methane is present indicates that methane existence might facilitate ethanol aromatization. Moreover, combined with the increased carbon number in the formed aromatics from CH4 run when H2 run is referred and zero liquid formation from CH4-alone test as well as more prominent endothermic feature of methane run and more importantly the notably increased 13C signals in 13C NMR spectra of the liquid product collected during ethanol conversion under 13CH4 environment, all the observations suggest that methane might be activated nonoxidatively and converted into higher hydrocarbons, preferentially into aromatics if suitable catalyst is charged under the assistance of co-existing oxygenated hydrocarbon. The reported synergetic effect could potentially lead to the more economic utilization of abundant natural gas and cellulosic ethanol.

  19. 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.

  20. Terahertz Spectroscopy of Biochars and Related Aromatic Compounds

    Science.gov (United States)

    Lepodise, L. M.; Horvat, J.; Lewis, R. A.

    2016-12-01

    A recent application of terahertz spectroscopy is to biochar, the agricultural charcoal produced by pyrolysis of various organic materials. Biochars simultaneously improve soil fertility and assist in carbon sequestration. Terahertz spectroscopy allows different biochars to be distinguished. However, the origin of the absorption features observed has not been clear. Given that biochar-based fertilizers are rich in aromatic compounds, we have investigated simple aromatic compounds as an approach to unravelling the complex biochar spectrum.

  1. Open-ended education

    DEFF Research Database (Denmark)

    Nørgård, Rikke Toft; Paaskesen, Rikke Berggreen

    2016-01-01

    THE ARTICLE DESCRIBES OPEN-ENDED EDUCATION FOR 21ST CENTURY LEARNING AS THE COMING TOGETHER OF OPEN-ENDED TECHNOLOGY, OPEN-ENDED PROJECTS, AND OPEN-ENDED INSTITUTIONS IN WAYS THAT FOSTER AND PROMOTE FUTURE EDUCATION FOR CITIZENSHIP IN SOCIETY. THROUGH THE CASE OF THE CODING PIRATES FUTURE ISLAND,...... FOR EDUCATION AND HIGHLIGHTS THE FACT THAT THE EMPHASIS IN BLOOM’S REVISED TAXONOMY ON INGENUITY, ORIGINALITY, PARTICIPATION, AND ASPIRATION IMPACTS THE PRACTICE OF EDUCATION.......THE ARTICLE DESCRIBES OPEN-ENDED EDUCATION FOR 21ST CENTURY LEARNING AS THE COMING TOGETHER OF OPEN-ENDED TECHNOLOGY, OPEN-ENDED PROJECTS, AND OPEN-ENDED INSTITUTIONS IN WAYS THAT FOSTER AND PROMOTE FUTURE EDUCATION FOR CITIZENSHIP IN SOCIETY. THROUGH THE CASE OF THE CODING PIRATES FUTURE ISLAND......, THE ARTICLE DEMONSTRATES HOW OPEN-ENDED EDUCATION CAN BE PRACTICED TO FOSTER AND PROMOTE TECHNOLOGICAL IMAGINATION, ENTERPRISING, AND PARTICIPATION. THIS PRACTICE IS THEN DEVELOPED INTO A THEORETICAL MODEL FOR THE CONCEPT OF OPEN-ENDED EDUCATION AS A WAY OF AND FRAMEWORK FOR PRACTICING FUTURE EDUCATION FOR 21...

  2. Analytical model for flux saturation in sediment transport.

    Science.gov (United States)

    Pähtz, Thomas; Parteli, Eric J R; Kok, Jasper F; Herrmann, Hans J

    2014-05-01

    The transport of sediment by a fluid along the surface is responsible for dune formation, dust entrainment, and a rich diversity of patterns on the bottom of oceans, rivers, and planetary surfaces. Most previous models of sediment transport have focused on the equilibrium (or saturated) particle flux. However, the morphodynamics of sediment landscapes emerging due to surface transport of sediment is controlled by situations out of equilibrium. In particular, it is controlled by the saturation length characterizing the distance it takes for the particle flux to reach a new equilibrium after a change in flow conditions. The saturation of mass density of particles entrained into transport and the relaxation of particle and fluid velocities constitute the main relevant relaxation mechanisms leading to saturation of the sediment flux. Here we present a theoretical model for sediment transport which, for the first time, accounts for both these relaxation mechanisms and for the different types of sediment entrainment prevailing under different environmental conditions. Our analytical treatment allows us to derive a closed expression for the saturation length of sediment flux, which is general and thus can be applied under different physical conditions.

  3. 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.

  4. Saturated and trans fats and dementia: a systematic review.

    Science.gov (United States)

    Barnard, Neal D; Bunner, Anne E; Agarwal, Ulka

    2014-09-01

    Cognitive disorders of later life are potentially devastating. To estimate the relationship between saturated and trans fat intake and risk of cognitive disorders. PubMed, EMBASE, and the Cochrane Central Register of Controlled Trials were searched for studies reporting saturated or trans fat intake and incident dementia, Alzheimer's disease (AD), or mild cognitive impairment (MCI) or cognitive decline. Only observational studies met the inclusion criteria: 4 for AD or other dementias, 4 for MCI, and 4 for cognitive decline. Saturated fat intake was positively associated with AD risk in 3 of 4 studies, whereas the fourth suggested an inverse relationship. Saturated fat intake was also positively associated with total dementia in 1 of 2 studies, with MCI in 1 of 4 studies, and with cognitive decline in 2 of 4 studies. Relationships between trans fat intake and dementia were examined in 3 reports with mixed results. Several, although not all, prospective studies indicate relationships between saturated and trans fat intake and risk of cognitive disorders.

  5. RESEARCH METHODS OF SATURATED VAPOR PRESSURE AND EXPERIMENTAL INSTALLATIONS

    Directory of Open Access Journals (Sweden)

    Kharchenko P. M.

    2015-02-01

    Full Text Available The static method is the most common, because it is applicable for measuring SVP of substances in wide ranges of temperatures and pressures. The essence of the method consists in measuring of vapor pressure in equilibrium with its liquid at a given temperature. Dynamic method is based on measurement of the boiling point of the liquid at a certain pressure. Saturation method of moving gas used in the case when the SVP does not exceed a few mm Hg. The method consists the following: the liquid is passed through the inert gas and saturated with vapor of liquids and then it flows into a cooler where the absorbed vapors are condensed. Knowing the amount of absorbed liquid and gas, as well as their molecular weight, allow us calculate saturated vapor pressure of the liquid. Knudsen effusion method is applicable for the measurement of very low pressures (up to 100 Pa. This method consists in researching of depending between the pressure and volume of saturated steam at a constant temperature. At the point of saturation an isotherm should have a break and turn into a straight line. Chromatographic method is based on complete chromatographic analysis of liquid and calculating the sum of partial pressures of all mixture components. Also, the article has a description of existing experimental installation for these researches and their advantages and disadvantages compared with each other

  6. Seasonal variations of halite saturation in the Dead Sea

    Science.gov (United States)

    Sirota, Ido; Arnon, Ali; Lensky, Nadav G.

    2016-09-01

    Hypersaline lakes and seas were common in the past, precipitating thick evaporitic salt deposits. The only modern analogue for the paleolimnology of deep salt-saturated aquatic environments exists in the Dead Sea. In this study, we present new insights from the Dead Sea on the role of seasonal thermohaline stratification and water balance on the seasonal and depth variations of the degree of saturation of halite (salt) and the rate of halite growth along the water column. We developed methodologies to accurately determine the empirical degree of halite saturation of the lake based on high accuracy densitometry, and to quantify halite growth rate along the water column. During summer, the epilimnion is undersaturated and halite is dissolved, whereas during winter the entire water column is supersaturated and crystallizes halite. This result is not trivial because the variations in the water balance suggest the opposite; summer is associated with higher loss of water by evaporation from the lake compared to the winter. Hence, the thermal effect overcomes the hydrological balance effect and thus governs the seasonal saturation cycle. The hypolimnion is supersaturated with respect to halite and crystallizes throughout the year, with higher super saturation and higher crystallization rates during winter. During summer, simultaneous opposing environments coexist—an undersaturated epilimnion that dissolves halite and a supersaturated hypolimnion that crystallizes halite, which results in focusing of halite deposits in the deep hypolimnetic parts of the evaporitic basins and thinning the shallow epilimnetic deposits.

  7. Aromatization of n-octane over Pd/C catalysts

    KAUST Repository

    Yin, Mengchen

    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.

  8. Bond length alternation and aromaticity in large annulenes

    Science.gov (United States)

    Choi, Cheol Ho; Kertesz, Miklos

    1998-04-01

    Properties of [4n] and [4n+2]annulenes were studied as a function of n for up to [66]annulene using Hartree-Fock and density functional theory in the generalized gradient approximation (DFT-GGA). In the 4n+2 series a "transition" from delocalized to localized structures occurs at 4n+2=30. Various indices of aromaticity, including NMR chemical shifts, bond localization, and aromatic stabilization energy (ASE) were monitored. π-bond localization occurs not due to a dramatic decrease of ASE as n increases, but rather as a result of a pseudo-Jahn-Teller (PJT) effect that sets in as the HOMO-LUMO gap decreases with increasing size. The NMR measures of aromaticity (difference between inner and outer 1H chemical shielding constants and the nucleus-independent chemical shifts, NICS) are reduced in the localized structures in comparison to the delocalized ones. The gradual nature of this "transition" is also implied by the relatively large values of the NMR measures of aromaticity that approach zero only gradually for larger size annulenes. Therefore intermediate size annulenes, such as [30]annulene are predicted to have a localized structure and aromatic properties at the same time showing the delocalized structure is not a necessary condition to be aromatic.

  9. Bio-Based Aromatic Epoxy Monomers for Thermoset Materials.

    Science.gov (United States)

    Ng, Feifei; Couture, Guillaume; Philippe, Coralie; Boutevin, Bernard; Caillol, Sylvain

    2017-01-18

    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.

  10. 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.

  11. Multilayer black phosphorus as broadband saturable absorber for pulsed lasers from 1 to 2.7 {\\mu}m wavelength

    CERN Document Server

    Kong, Lingchen; Xie, Guoqiang; Guo, Zhinan; Zhang, Han; Yuan, Peng; Qian, Liejia

    2015-01-01

    It attracts wide interest to seek universe saturable absorber covering wavelengths from near infrared to mid-infrared band. Multilayer black phosphorus, with variable direct bandgap (0.3-2 eV) depending on the layer number, becomes a good alternative as a universe saturable absorber for pulsed lasers. In this contribution, we first experimentally demonstrated broadband saturable absorption of multilayer black phosphorus from 1 {\\mu}m to 2.7 {\\mu}m wavelength. With the as-fabricated black phosphorus nanoflakes as saturable absorber, stable Q-switching operation of bulk lasers at 1.03 {\\mu}m, 1.93 {\\mu}m, 2.72 {\\mu}m were realized, respectively. In contrast with large-bandgap semiconducting transition metal dichalcogenides, such as MoS2, MoSe2, multilayer black phosphorus shows particular advantage at the long wavelength regime thanks to its narrow direct bandgap. This work will open promising optoelectronic applications of black phosphorus in mid-infrared spectral region and further demonstrate that BP may fil...

  12. Open Data and Beyond

    Directory of Open Access Journals (Sweden)

    Frederika Welle Donker

    2016-04-01

    Full Text Available In recent years, there has been an increasing trend of releasing public sector information as open data. Governments worldwide see the potential benefits of opening up their data. The potential benefits are more transparency, increased governmental efficiency and effectiveness, and external benefits, including societal and economic benefits. The private sector also recognizes potential benefits of making their datasets available as open data. One such company is Liander, an energy network administrator in the Netherlands. Liander views open data as a contributing factor to energy conservation. However, to date there has been little research done into the actual effects of open data. This research has developed a monitoring framework to assess the effects of open data, and has applied the framework to Liander’s small-scale energy consumption dataset.

  13. Reduction of Aromatic α-Keto Esters by Commercially Available Zinc Dust and Ammonium Formate:Formation of Aromatic a-Hydroxy Esters

    Institute of Scientific and Technical Information of China (English)

    CHEN Gang; YAO Guo-xin; SONG Guang-wei; ZHU Jin-tao

    2011-01-01

    Various aromatic α-keto esters were rapidly and selectively reduced to aromatic α-hydroxy esters by commercially available zinc dust and ammonium formate in the presence of other functional groups such as halogens,methoxy and esters.

  14. Visitors speak openly on the Open Day

    CERN Multimedia

    2004-01-01

    On Open Day, CERN was filled with visitors from around Europe—and beyond—who toured the LHC detector sites and visited a multitude of experimental halls and workshops across the Meyrin and Prevessin sites, the vast majority in buildings normally closed to the public.

  15. Opening and Closing in Open Systems.

    Science.gov (United States)

    Klapp, Orrin E.

    In open information systems, such as in the case of human interchange with the self and the environment, input quantities have no upper limits. The human information utilization system, however, is psychologically and behaviorally unable to accept ever increasing loads of information. Because of this apparent fact, human information systems should…

  16. Opening Up Access to Open Access

    Science.gov (United States)

    Singer, Ross

    2008-01-01

    As the corpus of gray literature grows and the price of serials rises, it becomes increasingly important to explore ways to integrate the free and open Web seamlessly into one's collections. Users, after all, are discovering these materials all the time via sites such as Google Scholar and Scirus or by searching arXiv.org or CiteSeer directly.…

  17. Open-mindedness

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    Open-mindness1 is a much-valued2 quality of human being. We value such a quality, because it is good to society as a whole. Almost all the great men are marked with such a quality. It is the openness to things new and strange. Open-minded person is willing toconsider new opinions, new arguments and new way of doing things.

  18. The origin of aromaticity: important role of the sigma framework in benzene.

    Science.gov (United States)

    Kovacević, Borislav; Barić, Danijela; Maksić, Zvonimir B; Müller, Thomas

    2004-09-20

    The physical nature of aromaticity is addressed at a high ab initio level. It is conclusively shown that the extrinsic aromatic stabilization energy of benzene E(ease)B, estimated relative to its linear polyene counterpart(s), is very well-reproduced at the Hartree-Fock (HF) level. This is a consequence of the fact that the contributions arising from the zero-point vibrational energy (ZPVE) and electron correlation are rather small. More specifically, they yield together 2.0 kcalmol(-1) to the destabilization of benzene. A careful scrutiny of the HF energies by virial theorem shows further that the kinetic energies of the sigma and pi electrons E(T)HF(sigma) and E(T)HF(pi) are strictly additive in the gauge linear zig-zag polyenes, which also holds for their sum Et(T)HF This finding has the important corollary that E(ease)B is little dependent on the choice of the homodesmic reactions involving zig-zag polyenes. A detailed physical analysis of the sigma- and pi-electron contributions to extrinsic aromaticity requires explicit introduction of the potential energy terms Vne, Vee, and Vnn, which signify Coulomb interactions between the electrons and the nuclei. The Vee term involves repulsive interaction Vee(sigmapi) between the sigma and pi electrons, which cannot be unequivocally resolved into sigma and pi contributions. The same holds for the Vnn energy, which implicitly depends on the electron density distribution via the Born-Oppenheimer (BO) potential energy surface. Several possibilities for partitioning Vee(sigmapi) and Vnn terms into sigma and pi components are examined. It is argued that the stockholder principle is the most realistic, which strongly indicates that E(ease)B is a result of favorable sigma-framework interactions. In contrast, the pi-electron framework prefers the open-chain linear polyenes.

  19. Determining the Porosity and Saturated Hydraulic Conductivity of Binary Mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Z. F.; Ward, Anderson L.; Keller, Jason M.

    2009-09-27

    Gravels and coarse sands make up significant portions of some environmentally important sediments, while the hydraulic properties of the sediments are typically obtained in the laboratory using only the fine fraction (e.g., <2 mm or 4.75 mm). Researchers have found that the content of gravel has significant impacts on the hydraulic properties of the bulk soils. Laboratory experiments were conducted to measure the porosity and the saturated hydraulic conductivity of binary mixtures with different fractions of coarse and fine components. We proposed a mixing-coefficient model to estimate the porosity and a power-averaging method to determine the effective particle diameter and further to predict the saturated hydraulic conductivity of binary mixtures. The proposed methods could well estimate the porosity and saturated hydraulic conductivity of the binary mixtures for the full range of gravel contents and was successfully applied to two data sets in the literature.

  20. Saturated and trans fatty acids and coronary heart disease.

    Science.gov (United States)

    Woodside, Jayne V; McKinley, Michelle C; Young, Ian S

    2008-12-01

    Dietary intake of both saturated and trans fatty acids has been associated with an increase in the risk of coronary heart disease (CHD). Evidence comes mainly from controlled dietary experiments with intermediate end points, such as blood lipoproteins, and from observational studies. A few small, randomized controlled trials with clinical end points have been carried out in which saturated fat was replaced with polyunsaturated fat, leading to a reduction in low-density lipoprotein cholesterol and a reduction in CHD risk. However, no such studies exist for trans fatty acids. More high-quality, randomized controlled trials on fatty acids and CHD are required, but public health recommendations to reduce intake of both saturated and trans fatty acids are appropriate based on the current evidence.

  1. 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...

  2. The Transverse Energy as a Barometer of a Saturated Plasma

    CERN Document Server

    Dumitru, A; Dumitru, Adrian; Gyulassy, Miklos

    2002-01-01

    The evolution of the gluon plasma produced with saturation initial conditions is calculated via Boltzmann transport theory for nuclear collisions at high energy. The saturation scale increases with the nuclear size and the beam energy, and thus we find that the perturbative rescattering rate decreases relative to the initial longitudinal expansion rate of the plasma. The effective longitudinal pressure remains significantly below the lattice QCD pressure until the plasma cools to near the confinement scale. Therefore, the transverse energy per unit of rapidity and its dependence on beam energy provides a sensitive test of gluon saturation models: the fractional transverse energy loss due to final state interactions is smaller and exhibits a weaker energy dependence than if ideal (nondissipative) hydrodynamics applied throughout the evolution.

  3. Regulation of hepatic gene expression by saturated fatty acids.

    Science.gov (United States)

    Vallim, T; Salter, A M

    2010-01-01

    Diets rich in saturated fatty acids have long been associated with increased plasma cholesterol concentrations and hence increased risk of cardiovascular disease. More recently, they have also been suggested to promote the development of non-alcoholic fatty liver disease. While there is now considerable evidence to suggest that polyunsaturated fatty acids exert many of their effects through regulating the activity of transcription factors, including peroxisome proliferator activated receptors, sterol regulatory binding proteins (SREBPs) and liver X receptor, our understanding of how saturated fatty acids act is still limited. Here we review the potential mechanisms whereby saturated fatty acids modulate hepatic lipid metabolism thereby impacting on the synthesis, storage and secretion of lipids. Evidence is presented that their effects are, at least partly, mediated through modulation of the activity of the SREBP family of transcription factors.

  4. Adaptive control for an uncertain robotic manipulator with input saturations

    Institute of Scientific and Technical Information of China (English)

    Trong-Toan TRAN; Shuzhi Sam GE; Wei HE

    2016-01-01

    In this paper, we address the control problem of an uncertain robotic manipulator with input saturations, unknown input scalings and disturbances. For this purpose, a model reference adaptive control like (MRAC-like) is used to handle the input saturations. The model reference is input to state stable (ISS) and driven by the errors between the required control signals and input saturations. The uncertain parameters are dealt with by using linear-in-the-parameters property of robotic dynamics, while unknown input scalings and disturbances are handled by non-regressor based approach. Our design ensures that all the signals in the closed-loop system are bounded, and the tracking error converges to the compact set which depends on the predetermined bounds of the control inputs. Simulation on a planar elbow manipulator with two joints is provided to illustrate the effectiveness of the proposed controller.

  5. Prediction of saturated liquid enthalpy of refrigerant mixtures

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    New corresponding temperature and corresponding enthalpy of refrigerant mix- tures were defined. The relationship between saturated liquid corresponding en- thalpy and corresponding temperature of refrigerant mixtures accorded with that of pure components. The characteristic parameters of saturated liquid enthalpy dif- ference of refrigerant mixtures were calculated by three methods according to the different application conditions. The generalized equation of saturated liquid en- thalpy of refrigerant mixtures was presented. The calculated values were compared with the values in literature for five ternary and binary refrigerant mixtures, namely R404A, R407A, R407B, R32/R134a, and R410A. The overall average absolute devia- tion was less than 1.0%.

  6. B Free Finite Element Approach for Saturated Porous Media: Consolidation

    Directory of Open Access Journals (Sweden)

    M. M. Stickle

    2016-01-01

    Full Text Available The B free finite element approach is applied to the governing equations describing the consolidation process in saturated poroelastic medium with intrinsically incompressible solid and fluid phases. Under this approach, where Voigt notation is avoided, the finite element equilibrium equations and the linearization of the coupled governing equations are fully derived using tensor algebra. In order to assess the B free approach for the consolidation equations, direct comparison with analytical solution of the response of a homogeneous and isotropic water-saturated poroelastic finite column under harmonic load is presented. The results illustrate the capability of this finite element approach of reproducing accurately the response of quasistatic phenomena in a saturated porous medium.

  7. Saturation scale fluctuations and multi-particle rapidity correlations

    CERN Document Server

    Bzdak, Adam

    2016-01-01

    We study the effect of intrinsic fluctuations of the proton saturation momentum scale on event-by-event rapidity distributions. Saturation scale fluctuations generate an asymmetry in the single particle rapidity distribution in each event resulting in genuine n-particle correlations having a component linear in the rapidities of the produced particles, $y_1\\cdots y_n$. We introduce a color domain model that naturally explains the centrality dependence of the two-particle rapidity correlations recently measured by ATLAS while constraining the probability distribution of saturation scale fluctuations in the proton. Predictions for n = 4, 6 and 8 particle correlations find that the four and eight-particle cumulant change sign at an intermediate multiplicity, a signature which could be tested experimentally.

  8. Baryon stopping and saturation physics at RHIC and LHC

    CERN Document Server

    Mehtar-Tani, Yacine

    2009-01-01

    We investigate baryon transport in relativistic heavy-ion collisions at energies reached at the CERN Super Proton Synchrotron, BNL Relativistic Heavy-Ion Collider (RHIC), and CERN LHC in the model of saturation. An analytical scaling law is derived within the color glass condensate framework based on small-coupling QCD. Transverse momentum spectra, net-baryon rapidity distributions and their energy, mass and centrality dependences are well described. In a comparison with RHIC data in Au + Au collisions at sqrt (s_NN) = 62.4 GeV and 200 GeV, the gradual approach to the gluon saturation regime is investigated, and limits for the saturation-scale exponent are determined. Predictions for net-baryon rapidity spectra and the mean rapidity loss in central Pb + Pb collisions at LHC energies of sqrt (s_NN) = 5.52 TeV are made.

  9. Mutual boosting of the saturation scales in colliding nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Kopeliovich, B.Z., E-mail: bzk@mpi-hd.mpg.d [Departamento de Fisica, Universidad Tecnica Federico Santa Maria, Instituto de Estudios Avanzados en Ciencias e Ingenieria, Centro Cientifico-Tecnologico de Valparaiso, Casilla 110-V, Valparaiso (Chile); Institut fuer Theoretische Physik der Universitaet, Philosophenweg 19, 69120 Heidelberg (Germany); Pirner, H.J. [Institut fuer Theoretische Physik der Universitaet, Philosophenweg 19, 69120 Heidelberg (Germany); Potashnikova, I.K.; Schmidt, Ivan [Departamento de Fisica, Universidad Tecnica Federico Santa Maria, Instituto de Estudios Avanzados en Ciencias e Ingenieria, Centro Cientifico-Tecnologico de Valparaiso, Casilla 110-V, Valparaiso (Chile)

    2011-03-14

    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. The DGLAP driven gluon distribution turns out to be suppressed at large x, but significantly enhanced at x<<1. This is a high twist effect. In the case of nucleus-nucleus collisions all participating nucleons on both sides get enriched in gluon density at small x, which leads to a further boosting of the saturation scale. We derive reciprocity equations for the saturation scales corresponding to a collision of two nuclei. The solution of these equations for central collisions of two heavy nuclei demonstrate a significant, up to several times, enhancement of Q{sub sA}{sup 2}, in AA compared with pA collisions.

  10. Modified Richardson Number in Non-Uniform Saturated Moist Flow

    Institute of Scientific and Technical Information of China (English)

    YANG Shuai; GAO Shou-Ting

    2006-01-01

    @@ As a useful index, I.e. The Richardson number Ri, is modified in non-uniform saturated moist flow, based on the fact that liquid water is partially dropped out in parcel air. This is more realistic in real moist atmosphere,especially in the rainfall process. The modified Ri presents adequately the influence of numerator, I.e. Brunt-Vaisala frequency (BVF), on instability. Compared to several former formulae generalized by Durran and Klemp,the modified Ri evidently decreases the stability in rainy regions. In theory, the modified BVF and Ri fix the discontinuity of latent heat release in the transition areas between saturated and unsaturated air by introducing the condensation probability function. Furthermore, the diagnostic analysis of the modilied Ri validates the rationality of its application in the non-uniform saturated moist process.

  11. Gradient ascent pulse engineering for rapid exchange saturation transfer

    Science.gov (United States)

    Rancan, G.; Nguyen, T. T.; Glaser, S. J.

    2015-03-01

    Efforts in the clinical translation of the paraCEST contrast agent Yb-HPDO3A have prompted an investigation into saturation pulse optimality under energy constraints. The GRAPE algorithm has been adapted and implemented for saturation pulse optimization with chemical exchange. The flexibility of the methodology, both in extracting the microscopical parameter ensemble for the algorithm as well as in determining the characteristics of this new class of rising amplitude waveforms allows rapid testing and implementation. Optimal pulses achieve higher saturation efficiencies than the continuous wave gold standard for rapid and especially for variable exchange rates, as brought about by pH-catalysis. Gains of at least 5-15% without any tradeoff have been confirmed both on a spectrometer and on a clinical imager. Pool specific solutions, with pulses optimized for a specific exchange rate value, additionally increase the flexibility of the CEST ratiometric analysis. A simple experimental approach to determine close to optimal triangular pulses is presented.

  12. Biodiesel presence in the source zone hinders aromatic hydrocarbons attenuation in a B20-contaminated groundwater

    Science.gov (United States)

    Ramos, Débora Toledo; Lazzarin, Helen Simone Chiaranda; Alvarez, Pedro J. J.; Vogel, Timothy M.; Fernandes, Marilda; do Rosário, Mário; Corseuil, Henry Xavier

    2016-10-01

    The behavior of biodiesel blend spills have received limited attention in spite of the increasing and widespread introduction of biodiesel to the transportation fuel matrix. In this work, a controlled field release of biodiesel B20 (100 L of 20:80 v/v soybean biodiesel and diesel) was monitored over 6.2 years to assess the behavior and natural attenuation of constituents of major concern (e.g., BTEX (benzene, toluene, ethyl-benzene and xylenes) and PAHs (polycyclic aromatic hydrocarbons)) in a sandy aquifer material. Biodiesel was preferentially biodegraded compared to diesel aromatic compounds with a concomitant increase in acetate, methane (near saturation limit (≈ 22 mg L- 1)) and dissolved BTEX and PAH concentrations in the source zone during the first 1.5 to 2.0 years after the release. Benzene and benzo(a)pyrene concentrations remained above regulatory limits in the source zone until the end of the experiment (6.2 years after the release). Compared to a previous adjacent 100-L release of ethanol-amended gasoline, biodiesel/diesel blend release resulted in a shorter BTEX plume, but with higher residual dissolved hydrocarbon concentrations near the source zone. This was attributed to greater persistence of viscous (and less mobile) biodiesel than the highly-soluble and mobile ethanol in the source zone. This persistence of biodiesel/diesel NAPL at the source zone slowed BTEX and PAH biodegradation (by the establishment of an anaerobic zone) but reduced the plume length by reducing mobility. This is the first field study to assess biodiesel/diesel blend (B20) behavior in groundwater and its effects on the biodegradation and plume length of priority groundwater pollutants.

  13. Open3DQSAR

    DEFF Research Database (Denmark)

    Tosco, Paolo; Balle, Thomas

    2011-01-01

    Open3DQSAR is a freely available open-source program aimed at chemometric analysis of molecular interaction fields. MIFs can be imported from different sources (GRID, CoMFA/CoMSIA, quantum-mechanical electrostatic potential or electron density grids) or generated by Open3DQSAR itself. Much focus...... has been put on automation through the implementation of a scriptable interface, as well as on high computational performance achieved by algorithm parallelization. Flexibility and interoperability with existing molecular modeling software make Open3DQSAR a powerful tool in pharmacophore assessment...

  14. 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

  15. Closed-Shell Polycyclic Aromatic Hydrocarbon Cations: A New Category of Interstellar Polycyclic Aromatic Hydrocarbons

    Science.gov (United States)

    Hudgins, Douglas M.; Bauschlicher, Charles W., Jr.; Allamandola, Louis J.; DeVincenzi, Donald (Technical Monitor)

    2001-01-01

    Density functional theory has been employed to calculate the harmonic frequencies and intensities of a range of polycyclic aromatic hydrocarbon (PAH) cations that explore both size and electronic structure effects of the infrared spectroscopic properties of these species. The sample extends the size range of PAH species considered to more than 50 carbon atoms and includes several representatives from each of two heretofore unexplored categories of PAH cations: (1) fully benzenoid PAH cations whose carbon skeleton is composed of an odd number of carbon atoms (C(sub odd) PAHs); and (2) protonated PAH cations (HPAH+). Unlike the radical electronic structures of the PAH cations that have been the subject of previous theoretical and experimental work, the species in these two classes have a closed-shell electronic configuration. The calculated spectra of circumcoronene, C54H18 in both neutral and (radical) cationic form are also reported and compared with those of the other species. Overall, the C(sub odd) PAHs spectra are dominated by strong CC stretching modes near 1600 cm(exp -1) and display spectra that are remarkably insensitive to molecular size. The HPAH+ species evince a more complex spectrum consistent with the added contributions of aliphatic modes and their generally lower symmetry. Finally, for both classes of closed-shell cations, the intensity of the aromatic CH stretching modes is found to increase with molecular size far out of proportion with the number of CH groups, approaching a value more typical of neutral PAHs for the largest species studied.

  16. Anti-saturation block adaptive quantization algorithm for SAR raw data compression over the whole set of saturation degrees

    Institute of Scientific and Technical Information of China (English)

    Haiming Qi; Weidong Yu

    2009-01-01

    In order to improve the performance of block adaptive quantization (BAQ) when the output of the analog to digital converter (ADC)is saturated, this paper proposes an anti-saturation BAQ algorithm. First, the concept of the standard deviation of the output signal (SDOS) of the ADC is proposed. Also, unlike traditional normalization processing, SDOS is used and the mapping between SDOS and the average signal magnitude is deduced. Second, the saturation term is introduced to the Lloyd-Max quantizer and an optimal non-uniform scalar quantizer for saturated SAR raw data quantization is proposed. After this, the implementation scheme for the pro-posed algorithm using an FPGA is analyzed in detail. Third, the relationships among the saturation degree of the signal, the peak-to-peak value of the ADC, standard deviation of the input and output signal of the ADC and the average signal magnitude are deduced.Based on these relationships, a power compensation decoder is designed for encoding. Numerical experiment results based on ERS-1 and the simulated data show that the performance of the proposed algorithm is better than that of BAQ.

  17. 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).

  18. Stability study of saturated red polymer light-emitting diodes

    Institute of Scientific and Technical Information of China (English)

    XU Wei; PENG JunBiao; XU YunHua; WANG Jian; HUANG Zhe; NIU QiaoLi; CAO Yong

    2007-01-01

    Saturated red polymer light-emitting diodes have been fabricated with a single emitting polymer blend layer of poly[2-(2-ethylhexyloxy)-5-methoxy-1,4-phenylenevinylene](MEH-PPV)and poly[9,9-dioctylfluorene-co-4,7-di-2-thienyl-2,1,3-benzothiadiazole](PFO-DBT15).Saturated red emission with the Commission Internationale de I'Eclairage(CIE)coordinates of(0.67,0.33)was obtained.The device stability was investigated.The results showed that energy transfer occurred from MEH-PPV to PFO-DBT15,and MEH-PPV improved the hole injection and transportation.

  19. Sudakov resummation in the small-x saturation formalism.

    Science.gov (United States)

    Mueller, A H; Xiao, Bo-Wen; Yuan, Feng

    2013-02-22

    Through an explicit calculation of massive scalar particle (e.g., Higgs boson) production in high energy pA collisions up to one-loop order, we demonstrate, for the first time, that the Sudakov-type logarithms in hard processes in the small-x saturation formalism can be systematically separated from the small-x logarithms. The generic feature of the Sudakov logarithms and all order resummation is derived. This calculation shall provide us deep insights into the understanding of factorizations in the saturation formalism. We further comment on the phenomenological implications in the LHC energy regime and extension to other hard processes in small-x calculations.

  20. Gain scheduled control of linear systems with unsymmetrical saturation actuators

    Science.gov (United States)

    Wu, Wen-Juan; Duan, Guang-Ren

    2016-11-01

    The problem of stabilisation of a class of nonlinear continuous-time systems with asymmetric saturations on the control is studied in this paper. By combining the parametric Lyapunov equation approach and gain scheduling technique, a state feedback gain scheduling controller is proposed to solve the stabilisation problem of systems with unsymmetrical saturated control. The proposed gain scheduled approach is to increase the value of the design parameter so that the convergence rate of the closed-loop system can be increased. Numerical simulations show the effectiveness of the proposed approach.

  1. On guaranteed cost control of linear systems with input saturation

    Institute of Scientific and Technical Information of China (English)

    FU Min-yue

    2007-01-01

    This work studies the problem of control design for linear systems with input saturation. It is well known that integral quadratic constraints (IQC) can be used to describe input saturation and that the use of IQC in analysis can lead to less conservative performance bound and larger domain of attraction. In this work, it is shown that a class of commonly used IQCs may not help in control synthesis. That is, the use of these IQCs does not enlarge the guaranteed domain of performance for synthesis.

  2. Oronasopharyngeal suction at birth: effects on arterial oxygen saturation.

    Science.gov (United States)

    Carrasco, M; Martell, M; Estol, P C

    1997-05-01

    The effect of oronasopharyngeal suction (ONPS) on arterial oxygen saturation (SaO2) is described in a controlled study of 30 normal term newborn infants. In 15 of them, ONPS was performed immediately after birth. The SaO2 value was recorded through a pulse oximeter. The ONPS group had a significantly lower SaO2 between the first and the sixth minutes of life and took longer to reach 86% and 92% saturation. According to this study, ONPS should not be performed as a routine procedure in normal, term, vaginally born infants.

  3. Saturation in inclusive production beyond leading logarithm accuracy

    CERN Document Server

    Stasto, Anna M

    2016-01-01

    We review recent progress on the calculations on the inclusive forward hadron production within the saturation formalism. After introducing the concept of perturbative parton saturation and nonlinear evolution we discuss the formalism for the forward hadron production at high energy in the leading and next-to-leading order. Numerical results are presented and compared with the experimental data on forward hadron production in $dA$ and $pA$. We discuss the problem of the negativity of the NLO cross section at high transverse momenta, study its origin in detail and present possible improvements which include the corrected kinematics and the suitable choice of the rapidity cutoff.

  4. Nonlinear saturation of trapped electron modes via perpendicular particle diffusion.

    Science.gov (United States)

    Merz, F; Jenko, F

    2008-01-25

    In magnetized fusion plasmas, trapped electron mode (TEM) turbulence constitutes, together with ion temperature gradient (ITG) turbulence, the dominant source of anomalous transport on ion scales. While ITG modes are known to saturate via nonlinear zonal flow generation, this mechanism is shown to be of little importance for TEM turbulence in the parameter regime explored here. Instead, a careful analysis of the statistical properties of the ExB nonlinearity in the context of gyrokinetic turbulence simulations reveals that perpendicular particle diffusion is the dominant saturation mechanism. These findings allow for the construction of a rather realistic quasilinear model of TEM induced transport.

  5. SEMI-OPENNESS AND ALMOST-OPENNESS OF INDUCED MAPPINGS

    Institute of Scientific and Technical Information of China (English)

    HuangXianjiu; ZengFanping; ZhangGengrong

    2005-01-01

    Given a mapping f between continua. Let 2f and C(f) mean the induced mappings between hyperspaces. Relations are studied under the conditions :f is semi-open (almost open, respectively), 2f is semi-open (almost open, respectively) and C(f) is semi-open (almost open, respectively).

  6. Partition of polycyclic aromatic hydrocarbons on organobentonites

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    A series of organobentonites synthesized by exchanging organiccation such as dodecyltri-methylammonium (DTMA),benzyldimethyltetradecylammonium (BDTDA), cetyltrimethyl-ammonium (CTMA), octodeyltrimethylammonium (OTMA) on bentonite. The optimal condition, properties and mechanisms for the organobentonites to sorb phenanthrene, anthracene, naphthalene, acenaphthene in water were investigated in detail. The partition behavior was determined for four polycyclic aromatic hydrocarbons (PAHs), such as naphthalene, phenanthrene, anthracene and acenaphthene, from water to a series of organobentonites. The interlayer spacings and organic carbon contents of organobentonites, removal rate and sorption capacities for organobentonites to treat phenanthrene,anthracene, naphthalene, acenaphthene were correlated to the length of alkyl chains and the amounts of cation surfactant exchanged on Foundation item: the bentonite. Phenanthrene, anthracene, naphthalene, and acenaphthene sorption to organobentonites were characterized by linear isotherms, indicating solute partition between water and the organic phase composed of the large alkyl functional groups of quaternary ammonium cations. PAHs distribution coefficients (Kd)between organobentonites and water were proportional to the organic carbon contents of organobentonites. However, the partition coefficients (Koc) were nearly constants for PAHs in the system of organobentonite-water. The Koc of phenanthrene, anthracene,naphthalene, acenaphthene were 2.621x105, 2.106x105, 2.247x104,5.085x104, respectively. The means Koc values on the organobentonites are about ten to twenty times larger than the values on the soils/sediments, what is significant prerequisite for organobentonite to apply to remediation of pollution soil and groundwater. The sorption mechanism was also evaluated from octanol-water partition coefficients and aqueous solubility of PAHs. The correlations between lgKoc and 1gkow, 1gKoc and 1gS for PAHs in the system of water

  7. Migration of Air Flow in Non-Fixed Saturated Porous Medium

    Science.gov (United States)

    Kong, X.; Fritz, S.; Kinzelbach, W.

    2008-12-01

    Two phase flow in porous media is of importance in a number of processes relevant in environmental engineering. The study of gas movement following injection into liquid saturated porous media is an active area of exploration for theoretical and practical reasons, e.g., in air-sparging, oil recovery, and bio-filter. A set of two-dimensional laboratory visualization experiments reveals a previously unrecognized gas-flow instability in a liquid-saturated porous medium packed by its own weight. The medium is made of crushed fused silica glass and saturated with a glycerine-water solution for refractive-index-matching. The interaction of the air flow injected at the bottom and the matrix (porous medium) structure leads to mobilization of the matrix and an instability, which causes the air channel to migrate. The instability of air-channel migration differs significantly from the gas-flow instability in a fixed matrix described in previous research. The migration of the air channel appears as a sequence of former channels collapsing and new channels opening. This process is characterized by the reorganization of the matrix, and the switching between channelized flow and pulsating slug flow. The channel migration comes to a stop after some time, leaving one thin and stable channel. The process is studied by calculating the cumulated lateral movement distance of channel and the lateral width of the area affected by the migration. A dimensionless number is defined to describe the migration. It is observed to be a function of grain size, height of bed, and air flow rate.

  8. City air pollution of polycyclic aromatic hydrocarbons and other mutagens: occurrence, sources and health effects

    DEFF Research Database (Denmark)

    Nielsen, T.; Ejsing Jørgensen, Hans; Larsen, J.C.

    1996-01-01

    The presence of polycyclic aromatic hydrocarbons (PAH), mutagens and other air pollutants was investigated in a busy street in central Copenhagen and in a park area adjacent to the street. The winter concentration of benzo(a)pyrene was 4.4+/-1.2 ng/m(3) in the street air and 1.4+/-0.6 ng/m(3) in ...... was estimated to be 40%. Four different approaches to evaluate the health effects are discussed. The direct effect of PAH air pollution, and other mutagens, is considered to be a maximum of five lung cancer cases each year out of one million people.......The presence of polycyclic aromatic hydrocarbons (PAH), mutagens and other air pollutants was investigated in a busy street in central Copenhagen and in a park area adjacent to the street. The winter concentration of benzo(a)pyrene was 4.4+/-1.2 ng/m(3) in the street air and 1.4+/-0.6 ng/m(3......) in the city park. The atmospheric concentrations of PAH decreased in the order of: street > city background air similar to suburbs > village > open land. The traffic contribution of PAH to street air was estimated to be 90% on working days and 60% during weekends and its contribution to city background air...

  9. Extended Electron-Transfer in Animal Cryptochromes Mediated by a Tetrad of Aromatic Amino Acids.

    Science.gov (United States)

    Nohr, Daniel; Franz, Sophie; Rodriguez, Ryan; Paulus, Bernd; Essen, Lars-Oliver; Weber, Stefan; Schleicher, Erik

    2016-07-26

    The cryptochrome/photolyase protein family possesses a conserved triad of tryptophans that may act as a molecular wire to transport electrons from the protein surface to the FAD cofactor for activation and/or signaling-state formation. Members from the animal (and animal-like) cryptochrome subclade use this process in a light-induced fashion in a number of exciting responses, such as the (re-)setting of circadian rhythms or magnetoreception; however, electron-transfer pathways have not been explored in detail yet. Therefore, we present an in-depth time-resolved optical and electron-paramagnetic resonance spectroscopic study of two cryptochromes from Chlamydomonas reinhardtii and Drosophila melanogaster. The results do not only reveal the existence of a fourth, more distant aromatic amino acid that serves as a terminal electron donor in both proteins, but also show that a tyrosine is able to fulfill this very role in Chlamydomonas reinhardtii cryptochrome. Additionally, exchange of the respective fourth aromatic amino acid to redox-inactive phenylalanines still leads to light-induced radical pair formation; however, the lifetimes of these species are drastically reduced from the ms- to the μs-range. The results presented in this study open up a new chapter, to our knowledge, in the diversity of electron-transfer pathways in cryptochromes. Moreover, they could explain unique functions of animal cryptochromes, in particular their potential roles in magnetoreception because magnetic-field effects of light-induced radical pairs strongly depend on distance and orientation parameters.

  10. Mastering OpenStack

    CERN Document Server

    Khedher, Omar

    2015-01-01

    This book is intended for system administrators, cloud engineers, and system architects who want to deploy a cloud based on OpenStack in a mid- to large-sized IT infrastructure. If you have a fundamental understanding of cloud computing and OpenStack and want to expand your knowledge, then this book is an excellent checkpoint to move forward.

  11. All channels open

    NARCIS (Netherlands)

    Frank Huysmans; Jos de Haan

    2010-01-01

    Original title: Alle kanalen staan open. The rapid changes taking place in the media landscape in the Netherlands - characterised by digitisation and convergence of media technologies - raise the question of how the Dutch are dealing with the many new opportunities that have opened up. All channels

  12. OpenStack essentials

    CERN Document Server

    Radez, Dan

    2015-01-01

    If you need to get started with OpenStack or want to learn more, then this book is your perfect companion. If you're comfortable with the Linux command line, you'll gain confidence in using OpenStack.

  13. Bisimilarity of Open Terms

    NARCIS (Netherlands)

    Rensink, Arend; Palamidessi, C.; Parrow, J.

    1997-01-01

    The standard way of lifting a binary relation, R, from closed terms of an algebra to open terms is to define its closed-instance extension, R_{ci}, which holds for a given pair of open terms if and only if R holds for all their closed instantiations. In this paper, we study alternatives for the case

  14. Pro OpenSSH

    CERN Document Server

    Stahnke, Michael

    2006-01-01

    SSH, acronym for Secure Socket Shell, is for users and administrators wishing to establish secure communication between disparate networks. 'Pro OpenSSH', authored by two Fortune 100 system administrators, provides readers with a highly practical reference for configuring and deploying OpenSSH in their own environment.

  15. Open Verlinde line operators

    CERN Document Server

    Gaiotto, Davide

    2014-01-01

    We reformulate the action of Verlinde line operators on conformal blocks in a 3d TFT language and extend it to line operators labelled by open paths joining punctures on the Riemann surface. We discuss the possible applications of open Verlinde line operators to quantum Teichm\\"uller theory, supersymmetric gauge theory and quantum groups

  16. OpenShift cookbook

    CERN Document Server

    Gulati, Shekhar

    2014-01-01

    If you are a web application developer who wants to use the OpenShift platform to host your next big idea but are looking for guidance on how to achieve this, then this book is the first step you need to take. This is a very accessible cookbook where no previous knowledge of OpenShift is needed.

  17. Open Data and Beyond

    NARCIS (Netherlands)

    Welle Donker, Frederika; Loenen, Van Bastiaan; Bregt, Arnold

    2016-01-01

    In recent years, there has been an increasing trend of releasing public sector information as open data. Governments worldwide see the potential benefits of opening up their data. The potential benefits are more transparency, increased governmental efficiency and effectiveness, and external benefits

  18. Open G(2) strings

    NARCIS (Netherlands)

    de Boer, J.; de Medeiros, P.; El-Showk, S.; Sinkovics, A.

    2008-01-01

    We consider an open string version of the topological twist previously proposed for sigma-models with G(2) target spaces. We determine the cohomology of open strings states and relate these to geometric deformations of calibrated submanifolds and to flat or anti-self-dual connections on such submani

  19. OpenJDK cookbook

    CERN Document Server

    Kasko, Alex; Mironchenko, Alexey

    2015-01-01

    If you are an experienced Java developer using Java 7 platform and want to get your grips on OpenJDK for Java development, this is the book for you. JDK users who wish to migrate to OpenJDK will find this book very useful.

  20. Creating Open Source Conversation

    Science.gov (United States)

    Sheehan, Kate

    2009-01-01

    Darien Library, where the author serves as head of knowledge and learning services, launched a new website on September 1, 2008. The website is built with Drupal, an open source content management system (CMS). In this article, the author describes how she and her colleagues overhauled the library's website to provide an open source content…

  1. Open Access policy effectiveness

    OpenAIRE

    Swan, Alma

    2015-01-01

    This presentation discusses the policy elements that are necessary for an effective open access policy, according to the findings of the analysis of the revamped ROARMAP tool for open access policies by PASTEUR4OA. It contains graphs, charts and numbers for evidence-based arguments

  2. An information-flow-based model with dissipation, saturation and direction for active pathway inference

    Directory of Open Access Journals (Sweden)

    Wu Ling-Yun

    2010-05-01

    Full Text Available Abstract Background Biological systems process the genetic information and environmental signals through pathways. How to map the pathways systematically and efficiently from high-throughput genomic and proteomic data is a challenging open problem. Previous methods design different heuristics but do not describe explicitly the behaviours of the information flow. Results In this study, we propose new concepts of dissipation, saturation and direction to decipher the information flow behaviours in the pathways and thereby infer the biological pathways from a given source to its target. This model takes into account explicitly the common features of the information transmission and provides a general framework to model the biological pathways. It can incorporate different types of bio-molecular interactions to infer the signal transduction pathways and interpret the expression quantitative trait loci (eQTL associations. The model is formulated as a linear programming problem and thus is solved efficiently. Experiments on the real data of yeast indicate that the reproduced pathways are highly consistent with the current knowledge. Conclusions Our model explicitly treats the biological pathways as information flows with dissipation, saturation and direction. The effective applications suggest that the three new concepts may be valid to describe the organization rules of biological pathways. The deduced linear programming should be a promising tool to infer the various biological pathways from the high-throughput data.

  3. 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.

  4. Improved Drain Current Saturation and Voltage Gain in Graphene-on-Silicon Field Effect Transistors

    Science.gov (United States)

    Song, Seung Min; Bong, Jae Hoon; Hwang, Wan Sik; Cho, Byung Jin

    2016-05-01

    Graphene devices for radio frequency (RF) applications are of great interest due to their excellent carrier mobility and saturation velocity. However, the insufficient current saturation in graphene field effect transistors (FETs) is a barrier preventing enhancements of the maximum oscillation frequency and voltage gain, both of which should be improved for RF transistors. Achieving a high output resistance is therefore a crucial step for graphene to be utilized in RF applications. In the present study, we report high output resistances and voltage gains in graphene-on-silicon (GoS) FETs. This is achieved by utilizing bare silicon as a supporting substrate without an insulating layer under the graphene. The GoSFETs exhibit a maximum output resistance of 2.5 MΩ•μm, maximum intrinsic voltage gain of 28 dB, and maximum voltage gain of 9 dB. This method opens a new route to overcome the limitations of conventional graphene-on-insulator (GoI) FETs and subsequently brings graphene electronics closer to practical usage.

  5. Open-Minded Cognition.

    Science.gov (United States)

    Price, Erika; Ottati, Victor; Wilson, Chase; Kim, Soyeon

    2015-11-01

    The present research conceptualizes open-minded cognition as a cognitive style that influences how individuals select and process information. An open-minded cognitive style is marked by willingness to consider a variety of intellectual perspectives, values, opinions, or beliefs-even those that contradict the individual's opinion. An individual's level of cognitive openness is expected to vary across domains (such as politics and religion). Four studies develop and validate a novel measure of open-minded cognition, as well as two domain-specific measures of religious and political open-minded cognition. Exploratory and confirmatory factor analysis (controlling for acquiescence bias) are used to develop the scales in Studies 1 to 3. Study 4 demonstrates that these scales possess convergent and discriminant validity. Study 5 demonstrates the scale's unique predictive validity using the outcome of Empathic Concern (Davis, 1980). Study 6 demonstrates the scale's unique predictive validity using the outcomes of warmth toward racial, religious, and sexual minorities.

  6. The effects of globotriaosylceramide tail saturation level on bilayer phases

    DEFF Research Database (Denmark)

    Pezeshkian, Weria; Chaban, Vitaly V; Johannes, Ludger

    2015-01-01

    of the Gb3 concentration and its acyl chain saturation on the phase behaviour of a mixed bilayer of dioleoylphosphatidylcholine and Gb3. The simulation results show that: (1) the Gb3 acyl chains (longer tails) from one leaflet interdigitate into the opposing leaflet and lead to significant bilayer...

  7. Asymmetric gain-saturated spectrum in fiber optical parametric amplifiers

    DEFF Research Database (Denmark)

    Lali-Dastjerdi, Zohreh; Rottwitt, Karsten; Galili, Michael

    2012-01-01

    We demonstrate experimentally and numerically an unexpected spectral asymmetry in the saturated-gain spectrum of single-pump fiber optical parametric amplifiers. The interaction between higher-order four-wave mixing products and dispersive waves radiated as an effect of third-order dispersion...

  8. Laboratory monitoring of P-waves in partially saturated sand

    Science.gov (United States)

    Barrière, J.; Bordes, C.; Brito, D.; Sénéchal, P.; Perroud, H.

    2011-12-01

    Seismic data depends on a variety of hydrogeological properties of the prospected porous media such as porosity, permeability and fluid saturation. We have performed a laboratory experiment in the kiloHertz range in order to analyze the role of partial saturation on direct propagating P-waves phase velocity and attenuation. The experiment consists of a sand-filled tank 107 cm x 34 cm x 35cm equipped with accelerometers and water capacitance probes. The P-waves seismic propagation is generated by hitting a steel ball on a granite plate on the one lateral side of the container. Several imbibition/drainage cycles are performed between the water residual saturation and the gas residual saturation. The laboratory seismic data are processed by two Continuous Wavelet Transforms using one real mother wavelet (Mexican hat) and one complex (Morlet) to recover velocity and attenuation as a function of frequency. Phase velocity of direct P-wave decreases with an increase of water content and is quite consistent with the low frequency limit of the Biot's theory both for imbibition and drainage. The interpretation of the P-waves attenuation needs to go beyond the macroscopic fluid flow of Biot's theory and to introduce a viscoelastic contribution linked to the grain to grain overall losses which are described by a constant Q-model. A strong hysteresis between imbibition and drainage is observed and explained by introducing an effective permeability depending on water and gas relative permeabilities (Van Genuchten model).

  9. Total mortality by elevated transferrin saturation in patients with diabetes

    DEFF Research Database (Denmark)

    Ellervik, Christina; Andersen, Henrik Ullits; Tybjærg-Hansen, Anne;

    2013-01-01

    It is not known to what extent iron overload predicts prognosis in patients with diabetes after diagnosis or whether iron overload is a risk factor independent of the HFE genotype. We investigated total and cause-specific mortality according to increased transferrin saturation (≥ 50 vs....

  10. Condensation of saturated vapours on isentropic compression: a simple criterion

    Energy Technology Data Exchange (ETDEWEB)

    Patwardhan, V.S.

    1987-01-01

    A criterion is derived and tested for determining whether the isentropic compression of saturated vapours leads to superheat or condensation. This criterion needs only values of the critical temperature, the acentric factor and the liquid specific heat. The application of the criterion for selection of a working fluid both for heat pumps and heat engines is discussed.

  11. Dispersive surface waves along partially saturated porous media

    NARCIS (Netherlands)

    Chao, G.; Smeulders, D.M.J.; Van Dongen, M.E.H.

    2006-01-01

    Numerical results for the velocity and attenuation of surface wave modes in fully permeable liquid/partially saturated porous solid plane interfaces are reported in a broadband of frequencies (100 Hz–1 MHz). A modified Biot theory of poromechanics is implemented which takes into account the interact

  12. Double shock dynamics induced by the saturation of defocusing nonlinearities

    KAUST Repository

    Crosta, Matteo

    2012-01-01

    We show that the saturation of defocusing nonlinearities leads to qualitative changes in the onset of wave breaking, determining double shock formation whose regularization occurs in terms of antidark solitons. In a given material, the crossover between different regimes can be controlled by changing the input intensity. © 2012 Optical Society of America.

  13. Central venous oxygen saturation during hypovolaemic shock in humans

    DEFF Research Database (Denmark)

    Madsen, P; Iversen, H; Secher, N H

    1993-01-01

    We compared central venous oxygen saturation and central venous pressure (CVP) as indices of the effective blood volume during 50 degrees head-up tilt (anti-Trendelenburg's position) induced hypovolaemic shock in eight healthy subjects. Head-up tilt increased thoracic electrical impedance from 31...

  14. The experiment on the saturation polarization of Rb vapour

    Institute of Scientific and Technical Information of China (English)

    Huang Xiang-You; You Pei-Lin; Du Wei-Min

    2004-01-01

    @@ A cylindrical capacitor containing rubidium vapour is made. The capacitance of it at. different voltages is measured under a certain Rb vapour pressure. The experimental C-V curve shows that the saturation polarization of Rb vapour is easily observed. The experiment further supports the idea that the Rb atom has a large permanent electric dipole moment.

  15. Experimental Validation of the Invariance of Electrowetting Contact Angle Saturation

    NARCIS (Netherlands)

    Chevalliot, S.; Dhindsa, M.; Kuiper, S.; Heikenfeld, J.

    2011-01-01

    Basic electrowetting theory predicts that a continued increase in applied voltage will allow contact angle modulation to zero degrees. In practice, the effect of contact angle saturation has always been observed to limit the contact angle modulation, often only down to a contact angle of 60 to 70°.

  16. Organogel as a replacement of saturated fat in food products

    Science.gov (United States)

    Organogels of edible oil have drawn a great interest as promising alternatives to saturated fats and trans fats. Plant waxes are recognized as promising organogelators, which can provide organogels from healthful vegetable oils at low concentrations. Plant waxes are obtained as by-products during th...

  17. Hydrocarbon saturation determination using acoustic velocities obtained through casing

    Science.gov (United States)

    Moos, Daniel

    2010-03-09

    Compressional and shear velocities of earth formations are measured through casing. The determined compressional and shear velocities are used in a two component mixing model to provides improved quantitative values for the solid, the dry frame, and the pore compressibility. These are used in determination of hydrocarbon saturation.

  18. Nuclear determination of saturation profiles in core plugs. Status report

    Energy Technology Data Exchange (ETDEWEB)

    Sletsgaard, J. [DTU, Inst. for Automation (Denmark)

    1996-01-01

    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-93 project uses transmission of {gamma}-radiation to determine these saturations. In {gamma}-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 {sup 137}Cs-source is used, but a theoretical investigation of whether it is possible to determine three saturations, using two radioactive sources with different {gamma}-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).

  19. Nonlinear Saturable and Polarization-induced Absorption of Rhenium Disulfide

    Science.gov (United States)

    Cui, Yudong; Lu, Feifei; Liu, Xueming

    2017-01-01

    Monolayer of transition metal dichalcogenides (TMDs), with lamellar structure as that of graphene, has attracted significant attentions in optoelectronics and photonics. Here, we focus on the optical absorption response of a new member TMDs, rhenium disulphide (ReS2) whose monolayer and bulk forms have the nearly identical band structures. The nonlinear saturable and polarization-induced absorption of ReS2 are investigated at near-infrared communication band beyond its bandgap. It is found that the ReS2-covered D-shaped fiber (RDF) displays the remarkable polarization-induced absorption, which indicates the different responses for transverse electric (TE) and transverse magnetic (TM) polarizations relative to ReS2 plane. Nonlinear saturable absorption of RDF exhibits the similar saturable fluence of several tens of μJ/cm2 and modulation depth of about 1% for ultrafast pulses with two orthogonal polarizations. RDF is utilized as a saturable absorber to achieve self-started mode-locking operation in an Er-doped fiber laser. The results broaden the operation wavelength of ReS2 from visible light to around 1550 nm, and numerous applications may benefit from the anisotropic and nonlinear absorption characteristics of ReS2, such as in-line optical polarizers, high-power pulsed lasers, and optical communication system.

  20. Test of the rosetta pedotransfer function for saturated hydraulic conductivity

    NARCIS (Netherlands)

    Alvarez-Acosta, C.; Lascano, R.J.; Stroosnijder, L.

    2012-01-01

    Simulation models are tools that can be used to explore, for example, effects of cultural practices on soil erosion and irrigation on crop yield. However, often these models require many soil related input data of which the saturated hy- draulic conductivity (Ks) is one of the most important ones. T

  1. Structural information from OH stretching frequencies monohydric saturated alcohols

    NARCIS (Netherlands)

    Maas, J.H. van der; Lutz, E.T.G.

    1974-01-01

    Infrared data have been recorded of the hydroxyl stretching band for about 70 monohydric saturated alcohols in dilute carbon tetrachloride solution. The wavenumber maximum, the half-bandwidth and the band pattern could be related to the structure of the molecules. Not only primary, secondary and ter

  2. Saturator analysis for an evaporative gas turbine cycle

    Energy Technology Data Exchange (ETDEWEB)

    Parente, Joao O.S.; Traverso, Alberto; Massardo, Aristide F. [Universita di Genova, Thermo-Chemical Power Group (TPG), Genova (Italy)

    2003-07-01

    In this paper a thermodynamic assessment and a preliminary cost evaluation are given for an evaporative gas turbine (EvGT) cycle packed humidifier. Both background theory and simulation results are included. Two different approaches were used for the humidifier system modelling: the full integration of the mass-energy balance and mass transfer equations (called SAT model), and an atmospheric cooling tower-based model (called CT model). Both approaches were used to perform component thermodynamic analyses and to determine the humidifier packing design. Within these approaches, two simulation cases are discussed: a test case, with experimental results from the pilot-plant of the University of Lund, and a case study of the saturators for the optimised HAT (humid air turbine) cycles of a plant with a 50 MW power output. The two cases presented consider two different operating conditions for the saturator: the first being a 'non-optimised' saturator, and the second the 'optimal' configuration with reduced exergetic losses. For the case study, the saturator design and cost evaluation are also included. (Author)

  3. Saturating interactions in /sup 4/He with density dependence

    Energy Technology Data Exchange (ETDEWEB)

    Bloom, S.D.; Resler, D.A.; Moszkowski, S.A.

    1989-05-03

    With the advent of larger and faster computers, as well as modern shell model codes, nuclear structure calculations for the light nuclei (A<16) which include full 2/bar h/..omega.. model spaces are quite feasible. However, there can be serious problems in the mixing of 2/bar h/..omega.. and higher excitations into the low-lying spectra if the effective interaction is non-saturating. Furthermore, effective interactions which are both saturating and density dependent have not generally been used in previous nuclear structure calculations. Therefore, we have undertaken studies of /sup 4/He using two-body potential interactions which incorporate both saturation and density-dependence. Encouraging initial results in remedying the mixing of 0 and 2/bar h/..omega.. excitations have been obtained. We have also considered the effects of our interaction on the /sup 4/He compressibility and the centroid of the breathing mode strength. First indications are that a saturating effective interaction, with a short-range density dependent part and a long-range density independent part, comes close to matching crude predictions for the compressibility of /sup 4/He. 11 refs., 6 tabs.

  4. Nonlinear Saturable and Polarization-induced Absorption of Rhenium Disulfide

    Science.gov (United States)

    Cui, Yudong; Lu, Feifei; Liu, Xueming

    2017-01-01

    Monolayer of transition metal dichalcogenides (TMDs), with lamellar structure as that of graphene, has attracted significant attentions in optoelectronics and photonics. Here, we focus on the optical absorption response of a new member TMDs, rhenium disulphide (ReS2) whose monolayer and bulk forms have the nearly identical band structures. The nonlinear saturable and polarization-induced absorption of ReS2 are investigated at near-infrared communication band beyond its bandgap. It is found that the ReS2-covered D-shaped fiber (RDF) displays the remarkable polarization-induced absorption, which indicates the different responses for transverse electric (TE) and transverse magnetic (TM) polarizations relative to ReS2 plane. Nonlinear saturable absorption of RDF exhibits the similar saturable fluence of several tens of μJ/cm2 and modulation depth of about 1% for ultrafast pulses with two orthogonal polarizations. RDF is utilized as a saturable absorber to achieve self-started mode-locking operation in an Er-doped fiber laser. The results broaden the operation wavelength of ReS2 from visible light to around 1550 nm, and numerous applications may benefit from the anisotropic and nonlinear absorption characteristics of ReS2, such as in-line optical polarizers, high-power pulsed lasers, and optical communication system. PMID:28053313

  5. Letter to the editor: Diffusion under pore saturation conditions

    NARCIS (Netherlands)

    Krishna, R.; van Baten, J.M.

    2010-01-01

    In the article "Diffusion Under Pore Saturaton Conditions", Lettat et al. (1) presents a model to describe mixture diffusion in MFI zeolite under conditions of pore saturation. As a motivation for developing their model they remark ‘‘the classical adsorbed-phase diffusion models based on the Maxwell

  6. Absorption recovery in strongly saturated quantum-well electroabsorption modulators

    DEFF Research Database (Denmark)

    Højfeldt, Sune; Romstad, F.; Mørk, Jesper

    2003-01-01

    We observe experimentally that a quantum-well electroabsorption modulator, when strongly saturated by a highly energetic optical pulse, may exhibit an absorption recovery time much longer than for excitation with a low-energy pulse. Using a comprehensive drift-diffusion. type model, we are able...

  7. Poole-Frenkel (PF) effect high field saturation

    OpenAIRE

    1989-01-01

    An improved Poole Frenkel (PF) effect, based upon a rigorous methodological approach, is proposed. The chosen model is stated precisely, emphasis being made explicitly on the subtending hypotheses. A systematic reference to Fermi-Dirac function, allows to establish quantitatively the concept of PF saturation. The resulting general theory integrates, as particular applications, the previous one-dimensional PF theories.

  8. Saturating time-delay transformer for overcurrent protection

    Science.gov (United States)

    Praeg, Walter F.

    1977-01-01

    Electrical loads connected to d-c supplies are protected from damage by overcurrent in the case of a load fault by connecting in series with the load a saturating transformer that detects a load fault and limits the fault current to a safe level for a period long enough to correct the fault or else disconnect the power supply.

  9. Saturating time-delay transformer for overcurrent protection. [Patent application

    Science.gov (United States)

    Praeg, W.F.

    1975-12-18

    Electrical loads connected to dc supplies are protected from damage by overcurrent in the case of a load fault by connecting in series with the load a saturating transformer that detects a load fault and limits the fault current to a safe level for a period long enough to correct the fault or else disconnect the power supply.

  10. 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.

  11. Structure-property relationships of curved aromatic materials from first principles.

    Science.gov (United States)

    Zoppi, Laura; Martin-Samos, Layla; Baldridge, Kim K

    2014-11-18

    character through functionalization. This Account offers discussion of current state-of-the-art electronic structure approaches for prediction of structural, electronic, optical, and transport properties of materials, with illustration of these capabilities from a series of investigations involving curved aromatic materials. The class of curved aromatic materials offers the ability to investigate methodology across a wide range of materials complexity, including (a) molecules, (b) molecular crystals, (c) molecular adsorbates on metal surfaces, and (d) molecular nanojunctions. A reliable pallet of theoretical tools for such a wide array relies on expertise spanning multiple fields. Working together with experimental experts, advancements in the fundamental understanding of structural and dynamical properties are enabling focused design of functional materials. Most importantly, these studies provide an opportunity to compare experimental and theoretical capabilities and open the way for continual improvement of these capabilities.

  12. 90-Day Inhalation Toxicity Study of Swedish Biofuel Alcohol-to-Jet (ATJ) Synthetic Kerosene with Aromatics (SPA) in Rats with Neurotoxicity Testing and Genotoxicity Assay

    Science.gov (United States)

    2015-09-01

    TERMS Jet fuels, alternative fuels, synthetic kerosene with aromatics, JP-8, biobased /bio-based, toxicity/toxicology, alcohol-to-jet, inhalation...same sex pair-housed in plastic , solid bottom cages. During the week prior to start of exposures, the rats were acclimated to the stainless steel wire...clear plastic open fields measuring 16 x 16 x 15 inches (width x depth x height, respectively) with horizontal and vertical photobeam frames. The

  13. Nonlinear Behavior Of Saturated Porous Media Under External Impact

    Science.gov (United States)

    Perepechko, Y.

    2005-12-01

    This paper deals with nonlinear behavior of liquid saturated porous media in gravity filed under external impact. The continuum is assumed to be a two-velocity medium; it consists of a deformable porous matrix (with Maxwell's reology) and a Newtonian liquid that saturates this matrix. The energy dissipation in this model takes place due the interface friction between the solid matrix and saturating liquid, and also through relaxation of inelastic shear stress in the porous matrix. The elaborated nonisothermal mathematical model for this kind of medium is a thermodynamically consistent and closed model. Godunov's explicit difference scheme was used for computer simulation; the method implies numerical simulation for discontinuity decay in flux calculations. As an illustrative example, we consider the formation of dissipation structures in a plain layer of that medium after pulse or periodic impact on the background of liquid filtration through the porous matrix. At the process beginning, one can observe elastic behavior of the porous matrix. Deformation spreading through the saturated porous matrix occurs almost without distortions and produces a channel-shaped zone of stretching with a high porosity. Later on, dissipation processes and reology properties of porous medium causes the diffusion of this channel. We also observe a correlation between the liquid distribution (porosity for the solid matrix) and dilatancy fields; this allows us to restore the dilatancy field from the measured fluid saturation of the medium. This work was supported by the RFBR (Grant No. 04-05-64107), the Presidium of SB RAS (Grant 106), the President's Grants (NSh-2118.2003.5, NSh-1573.2003.5).

  14. Impact of dietary aromatic amino acids on osteoclastic activity.

    Science.gov (United States)

    Refaey, Mona El; Zhong, Qing; Ding, Ke-Hong; Shi, Xing-Ming; Xu, Jianrui; Bollag, Wendy B; Hill, William D; Chutkan, Norman; Robbins, Richard; Nadeau, Hugh; Johnson, Maribeth; Hamrick, Mark W; Isales, Carlos M

    2014-08-01

    We had shown that aromatic amino acid (phenylalanine, tyrosine, and tryptophan) supplementation prevented bone loss in an aging C57BL/6 mice model. In vivo results from the markers of bone breakdown suggested an inhibition of osteoclastic activity or differentiation. To assess osteoclastic differentiation, we examined the effects of aromatic amino acids on early /structural markers as vitronectin receptor, calcitonin receptor, and carbonic anhydrase II as well as, late/functional differentiation markers; cathepsin K and matrix metalloproteinase 9 (MMP-9). Our data demonstrate that the aromatic amino acids down-regulated early and late osteoclastic differentiation markers as measured by real time PCR. Our data also suggest a link between the vitronectin receptor and the secreted cathepsin K that both showed consistent effects to the aromatic amino acid treatment. However, the non-attachment related proteins, calcitonin receptor, and carbonic anhydrase II, demonstrated less consistent effects in response to treatment. Our data are consistent with aromatic amino acids down-regulating osteoclastic differentiation by suppressing remodeling gene expression thus contributing initially to the net increase in bone mass seen in vivo.

  15. 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.)

  16. Global atmospheric budget of simple monocyclic aromatic compounds

    Science.gov (United States)

    Cabrera-Perez, David; Taraborrelli, Domenico; Sander, Rolf; Pozzer, Andrea

    2016-06-01

    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.

  17. High-resolution IR Absorption Spectroscopy of Polycyclic Aromatic Hydrocarbons in the 3 μm 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

    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 μm 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-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 μm 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 μm band, and on features such as the two-component emission character of this band and the 3 μm emission plateau.

  18. 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.

  19. Open innovation with an effective open innovation team.

    OpenAIRE

    Vanvoorden, Jonas

    2014-01-01

    This master's thesis explores how open innovation teams can successfully support open innovation inside of an organisation. Open innovation is a paradigm introduced by Henry Chesbrough (2003) a decade ago. It expands the innovation potential of organisations by opening them up to new ways of working with external partners. To implement open innovation, many companies rely on a small group of managers named open innovation teams. Although open innovation teams can potentially be vital for impl...

  20. Distributions of polycyclic aromatic hydrocarbons and alkylated polycyclic aromatic hydrocarbons in Osaka Bay, Japan.

    Science.gov (United States)

    Miki, Shizuho; Uno, Seiichi; Ito, Kazuki; Koyama, Jiro; Tanaka, Hiroyuki

    2014-08-30

    Contaminations in sediments by polycyclic aromatic hydrocarbons (PAHs) and alkylated PAHs were investigated at 44 sites in Osaka Bay, Japan. Concentrations of total PAHs and alkylated PAHs were in the range 6.40-7800 ng/g dry weights and 13.7-1700 ng/g dry weights, respectively. The PAH concentrations tended to be higher along the shoreline in the vicinities of big ports, industrialized areas, and densely populated regions such as the cities of Osaka and Kobe. The major sources appeared to be pyrogenic or both pyrogenic and petrogenic at most of the sites. PAH concentrations were remarkably high at a site near Kobe, where the concentrations of dibenzo(a,h)anthracene and benzo(g,h,i)perylene exceeded the effects-range-medium concentration and eight PAHs were above the corresponding effects-range-low concentrations. Those PAHs may have been derived from the great fire associated with the large earthquake in 1995.